From 04651038c21740f25d4c88609c2bf465fa45333b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Tue, 18 Feb 2025 11:54:35 +0100 Subject: [PATCH 01/21] Call ODK's `make prepare-release` --- nmrCV-base.obo | 43 +- nmrCV-base.owl | 147 +- nmrCV-base.ttl | 132 +- nmrCV-full.obo | 12346 ++++++-- nmrCV-full.owl | 35724 ++++++++++++++++++------ nmrCV-full.ttl | 33912 +++++++++++++++++----- nmrCV.obo | 12346 ++++++-- nmrCV.owl | 35724 ++++++++++++++++++------ nmrCV.ttl | 33912 +++++++++++++++++----- src/ontology/imports/bfo_import.owl | 4 +- src/ontology/imports/chebi_import.owl | 102 +- src/ontology/imports/iao_import.owl | 14 +- src/ontology/imports/obi_import.owl | 56 +- src/ontology/imports/omo_import.owl | 28 +- src/ontology/imports/ro_import.owl | 6 +- 15 files changed, 130837 insertions(+), 33659 deletions(-) diff --git a/nmrCV-base.obo b/nmrCV-base.obo index b0021c6..e705d4c 100644 --- a/nmrCV-base.obo +++ b/nmrCV-base.obo @@ -1,13 +1,34 @@ format-version: 1.2 -data-version: nmrCV/releases/2023-11-23/nmrCV-base.owl -ontology: nmrCV/nmrCV-base -property_value: http://purl.org/dc/elements/1.1/type IAO:8000001 -property_value: http://purl.org/dc/terms/description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string -property_value: http://purl.org/dc/terms/license https://creativecommons.org/publicdomain/mark/1.0/ -property_value: http://purl.org/dc/terms/title "nuclear magnetic resonance CV" xsd:string -property_value: owl:versionInfo "2023-11-23" xsd:string - -[Term] -id: NMRCV:0000000 -name: root node +data-version: http://nmrML.org/nmrCV/releases/2025-02-18/nmrCV-base.owl +idspace: dce http://purl.org/dc/elements/1.1/ +idspace: dcterms http://purl.org/dc/terms/ +idspace: doap http://usefulinc.com/ns/doap# +idspace: foaf http://xmlns.com/foaf/0.1/ +idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# +idspace: skos http://www.w3.org/2004/02/skos/core# +ontology: http://nmrML.org/nmrCV/nmrCV-base.owl +property_value: dce:contributor "Annick Moing" xsd:string +property_value: dce:contributor "Catherine Deborde" xsd:string +property_value: dce:contributor "Daniel Jacob" xsd:string +property_value: dce:contributor "Daniel Schober" xsd:string +property_value: dce:contributor "Joseph Cruz" xsd:string +property_value: dce:contributor "Michael Wilson" xsd:string +property_value: dce:contributor "Philippe Rocca-Serra" xsd:string +property_value: dce:contributor "Reza Salek" xsd:string +property_value: dce:contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times.\n\nPeople involved in the term creation from ID >1400000 :\n\nThis part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net):\n\nDaniel Schober (EBI)\nChris Taylor (EBI and HUPO-PSI)\nDennis Rubtsov (Un of Cambridge, UK)\nHelen Jenkins (Un of Wales, Aberystwyth, UK)\nIrena Spasic (Center for Integrative Systems Biology, Manchester, UK)\nLarissa Soldatova (University of Wales, Aberystwyth, UK)\nPhilippe Rocca-Serra (EBI and MGED Society)\nSusanna-Assunta Sansone (EBI)\n\nPeople involved in the term creation from ID<1400000:\n\nJoseph Cruz\nDaniel Schober\nMichael Wilson\nReza Salek\nDaniel Jacob\nDavid Wishart\n\nTerms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. \n\nOther people that substantially helped in revising the latest and Cosmos governed CV additions were:\n\nMichael Wilson, Wishart Group, Edmonton, Alberta, Canada\nDaniel Jacob, INRA, Bordeaux, France\nAnnick Moing, INRA, Bordeaux, France\nCatherine Deborde, INRA, Bordeaux, France\nReza Salek, EBI, Hinxton, UK\nPhilippe Rocca-Serra, University of Oxford, Oxford, UK\nAndrea Porzel, IPB-Halle, Germany\nand the COSMOS WP2 team\n\nA paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title\n`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen" xsd:string +property_value: dce:contributor "Steffen Neumann" xsd:string +property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string +property_value: dce:type IAO:8000001 +property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ +property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string +property_value: doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues" xsd:string +property_value: doap:documenter "Daniel Schober" xsd:string +property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string +property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string +property_value: doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" xsd:string +property_value: doap:maintainer "https://www.wikidata.org/wiki/Q96678459" xsd:string +property_value: owl:versionInfo "2.0_alpha" xsd:string +property_value: owl:versionInfo "2025-02-18" xsd:string diff --git a/nmrCV-base.owl b/nmrCV-base.owl index c654e4e..48535f9 100644 --- a/nmrCV-base.owl +++ b/nmrCV-base.owl @@ -1,20 +1,84 @@ - - - + xmlns:skos="http://www.w3.org/2004/02/skos/core#" + xmlns:dcterms="http://purl.org/dc/terms/" + xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> + + + Annick Moing + Catherine Deborde + Daniel Jacob + Daniel Schober + Joseph Cruz + Michael Wilson + Philippe Rocca-Serra + Reza Salek + Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen + Steffen Neumann + Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project. This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. nuclear magnetic resonance CV - 2023-11-23 + This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments. + https://github.com/nmrML/nmrML/issues + Daniel Schober + https://github.com/nmrML/nmrML + https://github.com/nmrML/nmrCV + https://groups.google.com/forum/?hl=en#!forum/nmrml/join + https://www.wikidata.org/wiki/Q96678459 + http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo + 2.0_alpha + 2025-02-18 @@ -30,6 +94,18 @@ + + + + + + + + + + + + @@ -38,47 +114,64 @@ - - description - + - - license - + - - title - + - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + - - root node - + - + diff --git a/nmrCV-base.ttl b/nmrCV-base.ttl index d60e276..204d4bd 100644 --- a/nmrCV-base.ttl +++ b/nmrCV-base.ttl @@ -1,51 +1,139 @@ -@prefix : . +@prefix : . @prefix dce: . +@prefix obo: . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . +@prefix doap: . +@prefix foaf: . @prefix rdfs: . +@prefix skos: . @prefix dcterms: . -@base . +@prefix oboInOwl: . +@base . - rdf:type owl:Ontology ; - owl:versionIRI ; - dce:type ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; - dcterms:license ; - dcterms:title "nuclear magnetic resonance CV" ; - owl:versionInfo "2023-11-23" . + rdf:type owl:Ontology ; + owl:versionIRI ; + dce:contributor "Annick Moing" , + "Catherine Deborde" , + "Daniel Jacob" , + "Daniel Schober" , + "Joseph Cruz" , + "Michael Wilson" , + "Philippe Rocca-Serra" , + "Reza Salek" , + """Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen""" , + "Steffen Neumann" ; + dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project.""" ; + dce:type obo:IAO_8000001 ; + dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:license ; + dcterms:title "nuclear magnetic resonance CV" ; + doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." ; + doap:bug-database "https://github.com/nmrML/nmrML/issues" ; + doap:documenter "Daniel Schober" ; + doap:implements "https://github.com/nmrML/nmrML" ; + doap:location "https://github.com/nmrML/nmrCV" ; + doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" ; + doap:maintainer "https://www.wikidata.org/wiki/Q96678459" ; + owl:deprecated "http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo" ; + owl:versionInfo "2.0_alpha" , + "2025-02-18" . ################################################################# # Annotation properties ################################################################# +### http://purl.org/dc/elements/1.1/contributor +dce:contributor rdf:type owl:AnnotationProperty . + + +### http://purl.org/dc/elements/1.1/coverage +dce:coverage rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/elements/1.1/type dce:type rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/description -dcterms:description rdf:type owl:AnnotationProperty ; - rdfs:label "description" . +dcterms:description rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/license -dcterms:license rdf:type owl:AnnotationProperty ; - rdfs:label "license" . +dcterms:license rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/title -dcterms:title rdf:type owl:AnnotationProperty ; - rdfs:label "title" . +dcterms:title rdf:type owl:AnnotationProperty . -################################################################# -# Classes -################################################################# +### http://usefulinc.com/ns/doap#audience +doap:audience rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#bug-database +doap:bug-database rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#documenter +doap:documenter rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#implements +doap:implements rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#location +doap:location rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#mailing-list +doap:mailing-list rdf:type owl:AnnotationProperty . + -### http://purl.obolibrary.org/obo/NMRCV_0000000 - rdf:type owl:Class ; - rdfs:label "root node"@en . +### http://usefulinc.com/ns/doap#maintainer +doap:maintainer rdf:type owl:AnnotationProperty . -### Generated by the OWL API (version 4.5.26) https://github.com/owlcs/owlapi +### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV-full.obo b/nmrCV-full.obo index b269609..3ce1a16 100644 --- a/nmrCV-full.obo +++ b/nmrCV-full.obo @@ -1,11 +1,14 @@ format-version: 1.2 -data-version: nmrCV/releases/2023-11-23/nmrCV-full.owl +data-version: http://nmrML.org/nmrCV/releases/2025-02-18/nmrCV-full.owl +subsetdef: 2_STAR "" +subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_gp2term "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_ontology "" subsetdef: http://purl.obolibrary.org/obo/valid_for_gocam "" subsetdef: ro-eco "" -subsetdef: RO:0002259 "" +synonymtypedef: BRAND_NAME "" +synonymtypedef: IUPAC_NAME "" synonymtypedef: OMO:0003000 "abbreviation" synonymtypedef: OMO:0003001 "ambiguous synonym" synonymtypedef: OMO:0003002 "dubious synonym" @@ -19,11 +22,37 @@ synonymtypedef: OMO:0003009 "legal name" synonymtypedef: OMO:0003010 "International Nonproprietary Name" synonymtypedef: OMO:0003011 "latin term" synonymtypedef: OMO:0003012 "acronym" -ontology: nmrCV/nmrCV-full -property_value: http://purl.org/dc/terms/description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string -property_value: http://purl.org/dc/terms/license https://creativecommons.org/publicdomain/mark/1.0/ -property_value: http://purl.org/dc/terms/title "nuclear magnetic resonance CV" xsd:string -property_value: owl:versionInfo "2023-11-23" xsd:string +idspace: dce http://purl.org/dc/elements/1.1/ +idspace: dcterms http://purl.org/dc/terms/ +idspace: doap http://usefulinc.com/ns/doap# +idspace: foaf http://xmlns.com/foaf/0.1/ +idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# +idspace: protege http://protege.stanford.edu/plugins/owl/protege# +idspace: skos http://www.w3.org/2004/02/skos/core# +ontology: http://nmrML.org/nmrCV/nmrCV-full.owl +property_value: dce:contributor "Annick Moing" xsd:string +property_value: dce:contributor "Catherine Deborde" xsd:string +property_value: dce:contributor "Daniel Jacob" xsd:string +property_value: dce:contributor "Daniel Schober" xsd:string +property_value: dce:contributor "Joseph Cruz" xsd:string +property_value: dce:contributor "Michael Wilson" xsd:string +property_value: dce:contributor "Philippe Rocca-Serra" xsd:string +property_value: dce:contributor "Reza Salek" xsd:string +property_value: dce:contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times.\n\nPeople involved in the term creation from ID >1400000 :\n\nThis part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net):\n\nDaniel Schober (EBI)\nChris Taylor (EBI and HUPO-PSI)\nDennis Rubtsov (Un of Cambridge, UK)\nHelen Jenkins (Un of Wales, Aberystwyth, UK)\nIrena Spasic (Center for Integrative Systems Biology, Manchester, UK)\nLarissa Soldatova (University of Wales, Aberystwyth, UK)\nPhilippe Rocca-Serra (EBI and MGED Society)\nSusanna-Assunta Sansone (EBI)\n\nPeople involved in the term creation from ID<1400000:\n\nJoseph Cruz\nDaniel Schober\nMichael Wilson\nReza Salek\nDaniel Jacob\nDavid Wishart\n\nTerms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. \n\nOther people that substantially helped in revising the latest and Cosmos governed CV additions were:\n\nMichael Wilson, Wishart Group, Edmonton, Alberta, Canada\nDaniel Jacob, INRA, Bordeaux, France\nAnnick Moing, INRA, Bordeaux, France\nCatherine Deborde, INRA, Bordeaux, France\nReza Salek, EBI, Hinxton, UK\nPhilippe Rocca-Serra, University of Oxford, Oxford, UK\nAndrea Porzel, IPB-Halle, Germany\nand the COSMOS WP2 team\n\nA paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title\n`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen" xsd:string +property_value: dce:contributor "Steffen Neumann" xsd:string +property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string +property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ +property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string +property_value: doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues" xsd:string +property_value: doap:documenter "Daniel Schober" xsd:string +property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string +property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string +property_value: doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" xsd:string +property_value: doap:maintainer "https://www.wikidata.org/wiki/Q96678459" xsd:string +property_value: owl:versionInfo "2.0_alpha" xsd:string +property_value: owl:versionInfo "2025-02-18" xsd:string [Term] id: BFO:0000001 @@ -42,10 +71,8 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant -def: "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts." [] is_a: BFO:0000001 ! entity disjoint_from: BFO:0000003 ! occurrent -relationship: BFO:0000050 BFO:0000002 {all_only="true"} ! part of continuant property_value: BFO:0000179 "continuant" xsd:string property_value: BFO:0000180 "Continuant" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240" xsd:string @@ -63,9 +90,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent -def: "An entity that has temporal parts and that happens, unfolds or develops through time." [] is_a: BFO:0000001 ! entity -relationship: BFO:0000050 BFO:0000003 {all_only="true"} ! part of occurrent property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string property_value: IAO:0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region" xsd:string @@ -83,11 +108,9 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000004 name: independent continuant def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} -comment: A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000031 ! generically dependent continuant -relationship: BFO:0000050 BFO:0000004 {all_only="true"} ! part of independent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string property_value: IAO:0000112 "a chair" xsd:string @@ -180,7 +203,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000015 name: process def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} -comment: An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string @@ -216,10 +238,8 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity -def: "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances." [] is_a: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000019 ! quality -relationship: BFO:0000050 BFO:0000017 {all_only="true"} ! part of realizable entity property_value: BFO:0000179 "realizable" xsd:string property_value: BFO:0000180 "RealizableEntity" xsd:string property_value: IAO:0000112 "the disposition of this piece of metal to conduct electricity." xsd:string @@ -248,7 +268,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000019 name: quality is_a: BFO:0000020 ! specifically dependent continuant -relationship: BFO:0000050 BFO:0000019 {all_only="true"} ! part of quality property_value: BFO:0000179 "quality" xsd:string property_value: BFO:0000180 "Quality" xsd:string property_value: IAO:0000112 "the ambient temperature of this portion of air" xsd:string @@ -267,10 +286,8 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000020 name: specifically dependent continuant def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} -comment: A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000031 ! generically dependent continuant -relationship: BFO:0000050 BFO:0000020 {all_only="true"} ! part of specifically dependent continuant property_value: BFO:0000179 "sdc" xsd:string property_value: BFO:0000180 "SpecificallyDependentContinuant" xsd:string property_value: IAO:0000112 "of one-sided specifically dependent continuants: the mass of this tomato" xsd:string @@ -291,7 +308,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000023 name: role -def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "role" xsd:string property_value: BFO:0000180 "Role" xsd:string @@ -482,7 +498,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity -def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant disjoint_from: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "material" xsd:string @@ -628,7 +643,4449 @@ property_value: IAO:0000600 "A history is a process that is the sum of the total property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] -id: GO:0016301 +id: CHEBI:139358 +name: isotopically modified compound +namespace: chebi_ontology +def: "Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s)." [] +subset: 3_STAR +synonym: "isotopically modified compounds" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:156265 +name: methanol-d4 +namespace: chebi_ontology +def: "A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy." [] +subset: 3_STAR +synonym: "((2)H3)methan((2)H)ol" EXACT IUPAC_NAME [IUPAC] +synonym: "((2)H4)methanol" RELATED [ChemIDplus] +synonym: "CD3OD" RELATED [ChEBI] +synonym: "methan-d3-ol-d" RELATED [ChemIDplus] +synonym: "methyl alcohol-d4" RELATED [ChEBI] +synonym: "methyl-d3 alcohol d" RELATED [ChEBI] +synonym: "tetradeuteromethanol" RELATED [NIST_Chemistry_WebBook] +synonym: "trideuterio deuteriooxy methane" RELATED [ChEBI] +xref: CAS:811-98-3 {source="NIST Chemistry WebBook"} +xref: CAS:811-98-3 {source="ChemIDplus"} +xref: PMID:19680377 {source="Europe PMC"} +xref: PMID:22819978 {source="Europe PMC"} +xref: PMID:28219117 {source="Europe PMC"} +xref: PMID:31837670 {source="Europe PMC"} +xref: Reaxys:1733278 {source="Reaxys"} +xref: Wikipedia:Deuterated_methanol +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD4O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKKJLVBELUTLKV-MZCSYVLQSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "36.066" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "36.05132" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]OC([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:16134 +name: ammonia +namespace: chebi_ontology +alt_id: CHEBI:13405 +alt_id: CHEBI:13406 +alt_id: CHEBI:13407 +alt_id: CHEBI:13771 +alt_id: CHEBI:22533 +alt_id: CHEBI:44269 +alt_id: CHEBI:44284 +alt_id: CHEBI:44404 +alt_id: CHEBI:7434 +def: "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." [] +subset: 3_STAR +synonym: "[NH3]" RELATED [MolBase] +synonym: "AMMONIA" EXACT [PDBeChem] +synonym: "Ammonia" EXACT [KEGG_COMPOUND] +synonym: "ammonia" EXACT IUPAC_NAME [IUPAC] +synonym: "ammoniac" RELATED [ChEBI] +synonym: "Ammoniak" RELATED [ChemIDplus] +synonym: "amoniaco" RELATED [ChEBI] +synonym: "azane" EXACT IUPAC_NAME [IUPAC] +synonym: "NH3" RELATED [KEGG_COMPOUND] +synonym: "NH3" RELATED [IUPAC] +synonym: "R-717" RELATED [ChEBI] +synonym: "spirit of hartshorn" RELATED [ChemIDplus] +xref: CAS:7664-41-7 {source="ChemIDplus"} +xref: CAS:7664-41-7 {source="NIST Chemistry WebBook"} +xref: CAS:7664-41-7 {source="KEGG COMPOUND"} +xref: Drug_Central:4625 {source="DrugCentral"} +xref: Gmelin:79 {source="Gmelin"} +xref: HMDB:HMDB0000051 +xref: KEGG:C00014 +xref: KEGG:D02916 +xref: KNApSAcK:C00007267 +xref: MetaCyc:AMMONIA +xref: MolBase:930 +xref: PDBeChem:NH3 +xref: PMID:110589 {source="Europe PMC"} +xref: PMID:11139349 {source="Europe PMC"} +xref: PMID:11540049 {source="Europe PMC"} +xref: PMID:11746427 {source="Europe PMC"} +xref: PMID:11783653 {source="Europe PMC"} +xref: PMID:13753780 {source="Europe PMC"} +xref: PMID:14663195 {source="Europe PMC"} +xref: PMID:15092448 {source="Europe PMC"} +xref: PMID:15094021 {source="Europe PMC"} +xref: PMID:15554424 {source="Europe PMC"} +xref: PMID:15969015 {source="Europe PMC"} +xref: PMID:16008360 {source="Europe PMC"} +xref: PMID:16050680 {source="Europe PMC"} +xref: PMID:16348008 {source="Europe PMC"} +xref: PMID:16349403 {source="Europe PMC"} +xref: PMID:16614889 {source="Europe PMC"} +xref: PMID:16664306 {source="Europe PMC"} +xref: PMID:16842901 {source="Europe PMC"} +xref: PMID:17025297 {source="Europe PMC"} +xref: PMID:17439666 {source="Europe PMC"} +xref: PMID:17569513 {source="Europe PMC"} +xref: PMID:17737668 {source="Europe PMC"} +xref: PMID:18670398 {source="Europe PMC"} +xref: PMID:22002069 {source="Europe PMC"} +xref: PMID:22081570 {source="Europe PMC"} +xref: PMID:22088435 {source="Europe PMC"} +xref: PMID:22100291 {source="Europe PMC"} +xref: PMID:22130175 {source="Europe PMC"} +xref: PMID:22150211 {source="Europe PMC"} +xref: PMID:22240068 {source="Europe PMC"} +xref: PMID:22290316 {source="Europe PMC"} +xref: PMID:22342082 {source="Europe PMC"} +xref: PMID:22385337 {source="Europe PMC"} +xref: PMID:22443779 {source="Europe PMC"} +xref: PMID:22560242 {source="Europe PMC"} +xref: Reaxys:3587154 {source="Reaxys"} +xref: Wikipedia:Ammonia +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000036 ! 15N spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "17.03056" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([H])[H]" xsd:string + +[Term] +id: CHEBI:16227 +name: pyridine +namespace: chebi_ontology +alt_id: CHEBI:14974 +alt_id: CHEBI:26415 +alt_id: CHEBI:8662 +def: "An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines." [] +subset: 3_STAR +synonym: "Azabenzene" RELATED [KEGG_COMPOUND] +synonym: "py" RELATED [IUPAC] +synonym: "Pyridine" EXACT [KEGG_COMPOUND] +synonym: "pyridine" EXACT [UniProt] +synonym: "pyridine" EXACT IUPAC_NAME [IUPAC] +xref: CAS:110-86-1 {source="ChemIDplus"} +xref: CAS:110-86-1 {source="KEGG COMPOUND"} +xref: CAS:110-86-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:1996 {source="Gmelin"} +xref: HMDB:HMDB0000926 +xref: KEGG:C00747 +xref: PDBeChem:0PY +xref: PMID:24364496 {source="Europe PMC"} +xref: PMID:24425539 {source="Europe PMC"} +xref: PMID:8070089 {source="Europe PMC"} +xref: Reaxys:103233 {source="Reaxys"} +xref: Wikipedia:Pyridine +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:35568 ! mancude ring +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H5N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "79.09990" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.04220" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccncc1" xsd:string + +[Term] +id: CHEBI:176566 +name: calcium-43 atom +namespace: chebi_ontology +def: "A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance." [] +subset: 3_STAR +synonym: "((43)Ca)calcium" EXACT IUPAC_NAME [IUPAC] +synonym: "(43)20Ca" RELATED [ChEBI] +synonym: "(43)Ca" RELATED [ChemIDplus] +synonym: "(43)calcium" RELATED [ChEBI] +synonym: "Ca-43" RELATED [ChEBI] +synonym: "calcium, isotope of mass 43" RELATED [ChemIDplus] +synonym: "calcium-43" RELATED [ChemIDplus] +synonym: "calcium-43 isotope" RELATED [ChEBI] +xref: CAS:14333-06-3 {source="ChemIDplus"} +xref: PMID:11859764 {source="Europe PMC"} +xref: PMID:19117733 {source="Europe PMC"} +xref: PMID:20463996 {source="Europe PMC"} +xref: PMID:20574585 {source="Europe PMC"} +xref: PMID:23163540 {source="Europe PMC"} +xref: PMID:23398971 {source="Europe PMC"} +xref: PMID:24874995 {source="Europe PMC"} +xref: PMID:25306191 {source="Europe PMC"} +xref: PMID:29770988 {source="Europe PMC"} +xref: PMID:6548252 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[43Ca]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca/i1+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYPRJOBELJOOCE-AKLPVKDBSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "42.959" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.95877" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[43Ca]" xsd:string + +[Term] +id: CHEBI:176572 +name: rubidium-85 atom +namespace: chebi_ontology +def: "A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "((85)Rb)rubidium" EXACT IUPAC_NAME [IUPAC] +synonym: "(85)37Rb" RELATED [ChEBI] +synonym: "(85)Rb" RELATED [ChemIDplus] +synonym: "Rb-85" RELATED [ChEBI] +synonym: "rubidium, isotope of mass 85" RELATED [ChemIDplus] +synonym: "rubidium-85" RELATED [ChemIDplus] +xref: CAS:13982-12-2 {source="ChemIDplus"} +xref: PMID:18026483 {source="Europe PMC"} +xref: PMID:18033464 {source="Europe PMC"} +xref: PMID:18291893 {source="Europe PMC"} +xref: PMID:18382518 {source="Europe PMC"} +xref: PMID:19855587 {source="Europe PMC"} +xref: PMID:25087142 {source="SUBMITTER"} +xref: PMID:32909800 {source="Europe PMC"} +xref: PMID:33709729 {source="Europe PMC"} +xref: PMID:34170158 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[85Rb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rb/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGLNJRXAVVLDKE-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.912" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.91179" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[85Rb]" xsd:string + +[Term] +id: CHEBI:176578 +name: cobalt-59 atom +namespace: chebi_ontology +def: "A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "((59)Co)cobalt" EXACT IUPAC_NAME [IUPAC] +synonym: "(59)27Co" RELATED [ChEBI] +synonym: "(59)Co" RELATED [ChEBI] +synonym: "Co-59" RELATED [ChEBI] +synonym: "cobalt, isotope of mass 59" RELATED [ChEBI] +synonym: "cobalt-(59)Co" RELATED [ChEBI] +synonym: "cobalt-59" RELATED [ChEBI] +xref: PMID:10617436 {source="Europe PMC"} +xref: PMID:10940985 {source="Europe PMC"} +xref: PMID:11421673 {source="Europe PMC"} +xref: PMID:11528329 {source="SUBMITTER"} +xref: PMID:12943912 {source="Europe PMC"} +xref: PMID:19150229 {source="Europe PMC"} +xref: PMID:19421527 {source="Europe PMC"} +xref: PMID:25069794 {source="Europe PMC"} +xref: PMID:25169133 {source="Europe PMC"} +xref: PMID:26066447 {source="Europe PMC"} +xref: PMID:26641288 {source="Europe PMC"} +xref: PMID:27355901 {source="Europe PMC"} +xref: PMID:30137661 {source="Europe PMC"} +xref: PMID:31367328 {source="Europe PMC"} +xref: PMID:32478347 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[59Co]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Co/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUTLYIVDDKVIGB-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "58.933" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.93319" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[59Co]" xsd:string + +[Term] +id: CHEBI:176583 +name: manganese-55 atom +namespace: chebi_ontology +def: "A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "((55)Mn)manganese" EXACT IUPAC_NAME [IUPAC] +synonym: "(55)25Mn" RELATED [ChEBI] +synonym: "(55)Mn" RELATED [ChEBI] +synonym: "manganese, isotope of mass 55" RELATED [ChEBI] +synonym: "manganese-55" RELATED [ChEBI] +synonym: "Mn-55" RELATED [ChEBI] +xref: PMID:20645339 {source="Europe PMC"} +xref: PMID:21058720 {source="Europe PMC"} +xref: PMID:21341708 {source="Europe PMC"} +xref: PMID:24993844 {source="Europe PMC"} +xref: PMID:25179135 {source="Europe PMC"} +xref: PMID:25891681 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[55Mn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mn/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWHULOQIROXLJO-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "54.938" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.93804" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[55Mn]" xsd:string + +[Term] +id: CHEBI:176584 +name: arsenic-75 atom +namespace: chebi_ontology +def: "A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "((75)As)arsenic" EXACT IUPAC_NAME [IUPAC] +synonym: "(75)33As" RELATED [ChEBI] +synonym: "(75)As" RELATED [ChEBI] +synonym: "arsenic, isotope of mass 75" RELATED [ChEBI] +synonym: "arsenic-75" RELATED [ChEBI] +synonym: "As-75" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[75As]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/As/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RQNWIZPPADIBDY-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "74.922" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.92159" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[75As]" xsd:string + +[Term] +id: CHEBI:183318 +name: triphenylphosphine +namespace: chebi_ontology +def: "A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups." [] +subset: 3_STAR +synonym: "Ph3P" RELATED [ChEBI] +synonym: "phosphorus triphenyl" RELATED [NIST_Chemistry_WebBook] +synonym: "PP 360" RELATED [ChemIDplus] +synonym: "PPh3" RELATED [ChEBI] +synonym: "TPP" RELATED [ChEBI] +synonym: "triphenyl phosphine" RELATED [ChemIDplus] +synonym: "Triphenylphosphan" RELATED [SUBMITTER] +synonym: "triphenylphosphane" EXACT IUPAC_NAME [IUPAC] +synonym: "triphenylphosphide" RELATED [ChemIDplus] +synonym: "Triphenylphosphin" RELATED [SUBMITTER] +synonym: "triphenylphosphorus" RELATED [ChemIDplus] +xref: CAS:603-35-0 {source="NIST Chemistry WebBook"} +xref: CAS:603-35-0 {source="ChemIDplus"} +xref: Chemspider:11283 +xref: HMDB:HMDB0259265 +xref: PMCID:PMC8513919 {source="Europe PMC"} +xref: PMID:2531144 {source="Europe PMC"} +xref: PMID:31948233 {source="Europe PMC"} +xref: PMID:32124602 {source="Europe PMC"} +xref: PMID:32259335 {source="Europe PMC"} +xref: PMID:34260204 {source="Europe PMC"} +xref: PMID:34338057 {source="Europe PMC"} +xref: Reaxys:610776 {source="Reaxys"} +xref: Wikipedia:Triphenylphosphine +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H15P" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RIOQSEWOXXDEQQ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "262.292" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "262.09114" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1" xsd:string + +[Term] +id: CHEBI:193038 +name: acetonitrile-d3 +namespace: chebi_ontology +subset: 2_STAR +synonym: "2,2,2-trideuterioacetonitrile" EXACT IUPAC_NAME [SUBMITTER] +synonym: "Acetonitril-d3" RELATED [SUBMITTER] +synonym: "CD3CN" RELATED [SUBMITTER] +synonym: "methyl-d3 cyanide" RELATED [SUBMITTER] +xref: CAS:2206-26-0 {source="SUBMITTER"} +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D3N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N/c1-2-3/h1H3/i1D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WEVYAHXRMPXWCK-FIBGUPNXSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "44.071" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.04538" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#CC([H])([H])[H]" xsd:string + +[Term] +id: CHEBI:193039 +name: benzene-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "((2)H6)benzene" EXACT IUPAC_NAME [IUPAC] +synonym: "1,2,3,4,5,6-hexadeuteriobenzene" RELATED [IUPAC] +synonym: "benzene-1,2,3,4,5,6-d6" RELATED [ChemIDplus] +synonym: "Benzol-d6" RELATED [SUBMITTER] +synonym: "hexadeuterobenzene" RELATED [SUBMITTER] +synonym: "perdeuterobenzene" RELATED [SUBMITTER] +xref: CAS:1076-43-3 {source="ChemIDplus"} +xref: CAS:1076-43-3 {source="NIST Chemistry WebBook"} +xref: Wikipedia:Deuterated_benzene +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6D6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHOVQNZJYSORNB-MZWXYZOWSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.151" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.08461" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193040 +name: N,N-dimethylformamide-d7 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1-deuterio-N,N-bis(trideuteriomethyl)formamide" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated DMF" RELATED [SUBMITTER] +synonym: "DMF-d7" RELATED [SUBMITTER] +synonym: "heptadeutero-N,N-dimethylformamide" RELATED [SUBMITTER] +xref: CAS:4472-41-7 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_DMF {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3D7NO" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMXDDKWLCZADIW-YYWVXINBSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "80.138" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.09670" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193041 +name: dimethyl sulfoxide-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "deuterated DMSO" RELATED [SUBMITTER] +synonym: "DMSO-d6" RELATED [SUBMITTER] +synonym: "hexadeuterodimethyl sulfoxide" RELATED [SUBMITTER] +synonym: "trideuterio(trideuteriomethylsulfinyl)methane" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:2206-27-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_DMSO {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D6OS" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAZDPXIOMUYVGZ-WFGJKAKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.170" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.05160" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:193042 +name: dichloromethane-d2 +namespace: chebi_ontology +subset: 2_STAR +synonym: "dichloro(dideuterio)methane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "methylene chloride-d2" RELATED [SUBMITTER] +xref: CAS:1665-00-5 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_dichloromethane {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD2Cl2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMWUJEATGCHHMB-DICFDUPASA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "86.940" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.96591" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)([H])[H]" xsd:string + +[Term] +id: CHEBI:193043 +name: ethanol-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,1,1,2,2-pentadeuterio-2-deuteriooxyethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated ethanol" RELATED [SUBMITTER] +synonym: "ethyl-d5 alcohol-d" RELATED [SUBMITTER] +synonym: "hexadeuteroethanol" RELATED [SUBMITTER] +xref: CAS:1516-08-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_ethanol {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LFQSCWFLJHTTHZ-LIDOUZCJSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "52.106" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "52.07953" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(C([H])([H])[H])([H])[H])[H]" xsd:string + +[Term] +id: CHEBI:193044 +name: nitrobenzene-d5 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,2,3,4,5-pentadeuterio-6-nitrobenzene" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:4165-60-0 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6D5NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LQNUZADURLCDLV-RALIUCGRSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "128.142" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.06341" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193045 +name: nitromethane-d3 +namespace: chebi_ontology +subset: 2_STAR +synonym: "deuterated nitromethane" RELATED [SUBMITTER] +synonym: "nitro(2H3)methane" RELATED [SUBMITTER] +synonym: "trideuterio(nitro)methane" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:13031-32-8 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD3NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LYGJENNIWJXYER-FIBGUPNXSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.058" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.03521" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:193046 +name: pyridine-d5 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(2H5)pyridine" RELATED [SUBMITTER] +synonym: "2,3,4,5,6-pentadeuteriopyridine" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated pyridine" RELATED [SUBMITTER] +xref: CAS:7291-22-7 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:35568 ! mancude ring +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5D5N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUJWROOIHBZHMG-RALIUCGRSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.133" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.07358" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193047 +name: oxolane-d8 +namespace: chebi_ontology +subset: 2_STAR +synonym: "2,2,3,3,4,4,5,5-octadeuteriooxolane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated THF" RELATED [SUBMITTER] +synonym: "tetrahydrofuran-d8" RELATED [SUBMITTER] +synonym: "THF-d8" RELATED [SUBMITTER] +xref: CAS:1693-74-9 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_THF {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4D8O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYURNTSHIVDZCO-SVYQBANQSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "80.156" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.10773" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C(C(C(C1([H])[H])([H])[H])([H])[H])([H])[H]" xsd:string + +[Term] +id: CHEBI:193048 +name: toluene-d8 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene" EXACT IUPAC_NAME [SUBMITTER] +synonym: "octadeuterotoluene" RELATED [SUBMITTER] +synonym: "perdeuterated toluene" RELATED [SUBMITTER] +synonym: "perdeuteriotoluene" RELATED [SUBMITTER] +xref: CAS:2037-26-5 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C7D8" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXFVVABEGXRONW-JGUCLWPXSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "100.190" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.11281" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:193049 +name: acetic acid-d4 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(2H3)acetic (2H)acid" RELATED [SUBMITTER] +synonym: "CD3COOD" RELATED [SUBMITTER] +synonym: "deuterated acetic acid" RELATED [SUBMITTER] +synonym: "deuterio 2,2,2-trideuterioacetate" EXACT IUPAC_NAME [SUBMITTER] +synonym: "tetradeuteroacetic acid" RELATED [SUBMITTER] +xref: CAS:1186-52-3 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D4O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-GUEYOVJQSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.076" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.04624" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(=O)C([2H])([2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193050 +name: trifluoroacetic acid-d1 +namespace: chebi_ontology +subset: 2_STAR +synonym: "CF3COOD" RELATED [SUBMITTER] +synonym: "deuterated trifluoroacetic acid" RELATED [SUBMITTER] +synonym: "deuterio 2,2,2-trifluoroacetate" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterotrifluoroacetic acid" RELATED [SUBMITTER] +synonym: "TFA-d" RELATED [SUBMITTER] +synonym: "trifluoroacetic acid-d" RELATED [SUBMITTER] +xref: CAS:599-00-8 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2DF3O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DTQVDTLACAAQTR-DYCDLGHISA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "115.029" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.99914" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(O[2H])=O" xsd:string + +[Term] +id: CHEBI:193131 +name: 1,1,2-Trichlorotrifluoroethane +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,1,2-trichloro-1,2,2-trifluoroethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "CFC-113" RELATED [SUBMITTER] +synonym: "Freon 113" RELATED [SUBMITTER] +xref: CAS:76-13-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/1\,1\,2-Trichloro-1\,2\,2-trifluoroethane {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Cl3F3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AJDIZQLSFPQPEY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "187.370" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.90177" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(Cl)(F)F)(F)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:193132 +name: formic acid-d2 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(2H)formic (2)acid" RELATED [SUBMITTER] +synonym: "DCOOD" RELATED [SUBMITTER] +synonym: "deuterio deuterioformate" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:920-42-3 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD2O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-PFUFQJKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "48.037" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "48.01803" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(=O)[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193133 +name: methanol-d1 +namespace: chebi_ontology +subset: 2_STAR +synonym: "deuteriooxymethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "methyl alcohol-d1" RELATED [SUBMITTER] +synonym: "mono-deuteromethanol" RELATED [SUBMITTER] +xref: CAS:1455-13-6 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3DO" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKKJLVBELUTLKV-VMNATFBRSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "33.048" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "33.03249" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C([H])([H])[H])[H]" xsd:string + +[Term] +id: CHEBI:193134 +name: 1,1,2,2-tetrachlorethane-d2 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,1,2,2-tetrachloro-1,2-dideuterioethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "TCE-d2" RELATED [SUBMITTER] +xref: CAS:33685-54-0 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D2Cl4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPFMBZIOSGYJDE-QDNHWIQGSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "169.850" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.90361" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(C(Cl)(Cl)[H])[H]" xsd:string + +[Term] +id: CHEBI:193135 +name: dimethyl ether-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(CD3)2O" RELATED [SUBMITTER] +synonym: "dimethyl-d6 ether" RELATED [SUBMITTER] +synonym: "trideuterio(trideuteriomethoxy)methane" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:17222-37-6 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCGLNKUTAGEVQW-WFGJKAKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "52.106" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "52.07953" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C([H])([H])[H])C([H])([H])[H]" xsd:string + +[Term] +id: CHEBI:193136 +name: fluorosulfonic acid +namespace: chebi_ontology +subset: 2_STAR +synonym: "fluorosulfuric acid" RELATED [SUBMITTER] +synonym: "monofluorosulfuric acid" RELATED [SUBMITTER] +synonym: "perfluorosulfonic acid" RELATED [SUBMITTER] +synonym: "sulfurofluoridic acid" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:7789-21-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Fluorosulfuric_acid {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "FHO3S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UQSQSQZYBQSBJZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "100.060" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.96304" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(=O)(F)(=O)O" xsd:string + +[Term] +id: CHEBI:193146 +name: antimony pentafluoride +namespace: chebi_ontology +subset: 2_STAR +synonym: "Antimon(V)-fluorid" RELATED [SUBMITTER] +synonym: "antimony(V) fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "pentafluoridoantimony" RELATED [SUBMITTER] +xref: CAS:7783-70-2 {source="ChemIDplus"} +xref: CAS:7783-70-2 {source="NIST Chemistry WebBook"} +xref: PMID:1113327 {source="Europe PMC"} +xref: Wikipedia:Antimony_pentafluoride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F5Sb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBVBHWZYQGJZLR-UHFFFAOYSA-I" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "216.752" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "215.89583" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sb](F)(F)(F)(F)F" xsd:string + +[Term] +id: CHEBI:193148 +name: bromine pentafluoride +namespace: chebi_ontology +subset: 2_STAR +xref: CAS:7789-30-2 {source="ChemIDplus"} +xref: CAS:7789-30-2 {source="NIST Chemistry WebBook"} +xref: Chemspider:23008 +xref: Wikipedia:Bromine_pentafluoride +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BrF5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrF5/c2-1(3,4,5)6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XHVUVQAANZKEKF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "174.896" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.91035" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Br(F)(F)(F)(F)F" xsd:string + +[Term] +id: CHEBI:195173 +name: 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) +namespace: chebi_ontology +subset: 2_STAR +synonym: "sodium;3-trimethylsilylpropane-1-sulonate" EXACT IUPAC_NAME [IUPAC] +xref: Chemspider:67436 +xref: KEGG:D84158 +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1400033 {is_inferred="true"} ! chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15O3SSi.Na" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HWEXKRHYVOGVDA-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "218.320" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.04089" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+]" xsd:string + +[Term] +id: CHEBI:197449 +name: NMR solvent +namespace: chebi_ontology +def: "A solvent used in nuclear magnetic resonance (NMR) spectroscopy." [] +subset: 3_STAR +synonym: "NMR solvents" RELATED [SUBMITTER] +synonym: "NMR-Loesemittel" RELATED [SUBMITTER] +synonym: "NMR-Loesungsmittel" RELATED [SUBMITTER] +is_a: CHEBI:33232 ! application +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:228364 +name: NMR chemical shift reference compound +namespace: chebi_ontology +def: "Any compound that produces a peak used as reference frequency in the delta chemical shift scale." [] +subset: 3_STAR +synonym: "NMR chemical shift reference compounds" RELATED [ChEBI] +synonym: "NMR chemical shift standard" RELATED [ChEBI] +synonym: "NMR chemical shift standards" RELATED [ChEBI] +synonym: "NMR internal standard" RELATED [ChEBI] +synonym: "NMR internal standards" RELATED [ChEBI] +synonym: "NMR reference standard" RELATED [ChEBI] +synonym: "NMR reference standards" RELATED [ChEBI] +is_a: CHEBI:33232 ! application +is_a: NMR:0002006 {comment="\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\".", isDefinedBy="http://nmrML.org/nmrCV"} ! NMR chemical shift calibration compound role +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: CHEBI:228806 +name: 3-(trimethylsilyl)propane-1-sulfonate +namespace: chebi_ontology +def: "An organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3." [] +subset: 3_STAR +synonym: "2,2-dimethyl-2-silapentane-5-sulfonate" RELATED [ChEBI] +synonym: "3-(trimethylsilyl)-1-propanesulfonate" RELATED [ChEBI] +synonym: "3-(trimethylsilyl)propane-1-sulfonate" EXACT IUPAC_NAME [IUPAC] +synonym: "DSS anion" RELATED [ChEBI] +xref: PMID:34273131 {source="Europe PMC"} +xref: PMID:37904798 {source="Europe PMC"} +xref: PMID:38404187 {source="Europe PMC"} +is_a: CHEBI:24870 ! ion +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15O3SSi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "195.330" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.05167" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](C)(C)CCCS([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:229454 +name: yttrium nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of yttrium(III)." [] +subset: 3_STAR +synonym: "nitric acid yttrium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, yttrium(3+) salt" RELATED [ChEBI] +synonym: "yttrium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "yttrium(3+) nitrate" RELATED [ChEBI] +synonym: "yttrium(III) nitrate" RELATED [ChEBI] +xref: CAS:10361-93-0 {source="ChEBI"} +xref: PMID:21611672 {source="Europe PMC"} +xref: PMID:25966754 {source="Europe PMC"} +xref: PMID:28866266 {source="Europe PMC"} +xref: PMID:32349286 {source="Europe PMC"} +xref: PMID:36512970 {source="Europe PMC"} +xref: PMID:37102272 {source="Europe PMC"} +xref: Wikipedia:Yttrium(III)_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002087 ! 89Y spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Y" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BXJPTTGFESFXJU-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "274.918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.86929" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:229455 +name: dimethylcadmium +namespace: chebi_ontology +def: "An organocadmium compound that is cadmium substituted by two methyl groups." [] +subset: 3_STAR +synonym: "cadmium(2+) carbanide" RELATED [ChEBI] +synonym: "dimethylcadmium" EXACT IUPAC_NAME [IUPAC] +synonym: "Me2Cd" RELATED [ChEBI] +xref: CAS:506-82-1 {source="NIST Chemistry WebBook"} +xref: PMID:11671234 {source="Europe PMC"} +xref: PMID:1916391 {source="Europe PMC"} +xref: PMID:22295998 {source="Europe PMC"} +xref: PMID:22409081 {source="Europe PMC"} +xref: PMID:27457504 {source="Europe PMC"} +xref: PMID:28125780 {source="Europe PMC"} +xref: PMID:28613888 {source="Europe PMC"} +xref: PMID:31145405 {source="Europe PMC"} +xref: Wikipedia:Dimethylcadmium +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002091 ! 111Cd spectrum chemical shift reference compound +is_a: NMR:0002092 ! 113Cd spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Cd" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2CH3.Cd/h2*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVVGSXJGEUULNM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "142.484" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.95031" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Cd]C" xsd:string + +[Term] +id: CHEBI:229456 +name: xenon oxytetrafluoride +namespace: chebi_ontology +def: "A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group." [] +subset: 3_STAR +synonym: "tetrafluoro(oxido)xenon" EXACT IUPAC_NAME [IUPAC] +synonym: "xenon fluoride oxide (XeF4O)" RELATED [ChEBI] +synonym: "xenon fluoride oxide (XeOF4)" RELATED [ChEBI] +synonym: "xenon monoxide tetrafluoride" RELATED [ChEBI] +synonym: "xenon oxide fluoride (XeOF4)" RELATED [ChEBI] +synonym: "xenon oxyfluoride (XeOF4)" RELATED [ChEBI] +synonym: "xenon oxytetrafluoride" EXACT [ChEBI] +synonym: "xenon tetrafluoride monoxide" RELATED [ChEBI] +synonym: "xenon tetrafluoride oxide" RELATED [ChEBI] +synonym: "XeOF4" RELATED [ChEBI] +xref: CAS:13774-85-1 {source="NIST Chemistry WebBook"} +xref: Wikipedia:Xenon_oxytetrafluoride +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002098 ! 129Xe spectrum chemical shift reference compound +is_a: NMR:0002159 ! 131Xe spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F4OXe" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F4OXe/c1-6(2,3,4)5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONRYXFFHIXYZMZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "223.286" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.89268" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[Xe](F)(F)(F)=O" xsd:string + +[Term] +id: CHEBI:229457 +name: rhodium acetylacetonate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002088 ! 103Rh spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H24O6Rh" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "403.256" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.06279" xsd:string + +[Term] +id: CHEBI:229458 +name: thallium(III) nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of thallium(III)." [] +subset: 3_STAR +synonym: "nitric acid thallium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, thallium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, thallium(3+) salt (3:1)" RELATED [ChEBI] +synonym: "thallic nitrate" RELATED [ChEBI] +synonym: "thallium nitrate" RELATED [ChEBI] +synonym: "thallium trinitrate" RELATED [ChEBI] +synonym: "thallium(3+) trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "Tl(NO3)3" RELATED [ChEBI] +synonym: "trinitric acid thallium(III) salt" RELATED [ChEBI] +xref: CAS:13746-98-0 {source="ChEBI"} +xref: PMID:12003571 {source="Europe PMC"} +xref: PMID:1219781 {source="Europe PMC"} +xref: PMID:13464463 {source="Europe PMC"} +xref: PMID:15433618 {source="Europe PMC"} +xref: PMID:20377233 {source="Europe PMC"} +xref: PMID:20472438 {source="Europe PMC"} +xref: PMID:25891454 {source="Europe PMC"} +xref: PMID:33577652 {source="Europe PMC"} +xref: PMID:38104746 {source="Europe PMC"} +xref: Wikipedia:Thallium(III)_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002103 ! 203Ti spectrum chemical shift reference compound +is_a: NMR:0002104 ! 205Ti spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Tl" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLBIUKJOZFWCLW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "390.390" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "390.93788" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231495 +name: Boron trifluoride etherate +namespace: chebi_ontology +subset: 2_STAR +synonym: "BF3.Et2O" RELATED [SUBMITTER] +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002127 ! 11B spectrum chemical shift reference compound +is_a: NMR:0002128 ! 10B spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O.BF3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZMGYPLQYOPHEL-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "141.930" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.07768" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "B(F)(F)F.O(CC)CC" xsd:string + +[Term] +id: CHEBI:231498 +name: scandium nitrate +namespace: chebi_ontology +def: "An inorganic nitrate salt having Sc(3+) as the counterion." [] +subset: 3_STAR +synonym: "nitric acid scandium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, scandium(3+) salt" RELATED [ChEBI] +synonym: "Sc(NO3)3" RELATED [ChEBI] +synonym: "scandium nitrate (Sc(NO3)3)" RELATED [ChEBI] +synonym: "scandium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "scandium(3+) nitrate" RELATED [ChEBI] +synonym: "scandium(3+) trinitrate" RELATED [ChEBI] +synonym: "scandium(III) nitrate" RELATED [ChEBI] +synonym: "tris(nitrato-O,O')scandium" RELATED [ChEBI] +xref: PMID:23350751 {source="Europe PMC"} +xref: PMID:30080026 {source="Europe PMC"} +xref: PMID:35335383 {source="Europe PMC"} +xref: Wikipedia:13465-60-6 +xref: Wikipedia:Scandium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002113 ! 45Sc spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Sc" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFCYEXJMCFQPPA-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "230.968" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.91936" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231499 +name: titanium tetrachloride +namespace: chebi_ontology +def: "A titanium molecular entity that is titanium which carries 4 chlorine atoms." [] +subset: 3_STAR +synonym: "tetrachlorotitanium" RELATED [ChEBI] +synonym: "TiCl4" RELATED [ChEBI] +synonym: "titanium chloride" RELATED [ChEBI] +synonym: "titanium chloride (TiCl4)" RELATED [ChEBI] +synonym: "titanium(4+) tetrachloride" EXACT IUPAC_NAME [IUPAC] +synonym: "titanium(IV) chloride" RELATED [ChEBI] +synonym: "titanium(IV) tetrachloride" RELATED [ChEBI] +xref: CAS:7550-45-0 {source="NIST Chemistry WebBook"} +xref: PMID:30210541 {source="Europe PMC"} +xref: PMID:31459120 {source="Europe PMC"} +xref: PMID:32551348 {source="Europe PMC"} +xref: PMID:32775858 {source="Europe PMC"} +xref: PMID:33403630 {source="Europe PMC"} +xref: PMID:33511532 {source="Europe PMC"} +xref: PMID:33715746 {source="Europe PMC"} +xref: PMID:34252674 {source="Europe PMC"} +xref: PMID:34380292 {source="Europe PMC"} +xref: PMID:34528791 {source="Europe PMC"} +xref: PMID:35166548 {source="Europe PMC"} +xref: PMID:35613484 {source="Europe PMC"} +xref: PMID:36272804 {source="Europe PMC"} +xref: PMID:36415852 {source="Europe PMC"} +xref: PMID:36615254 {source="Europe PMC"} +xref: PMID:36615464 {source="Europe PMC"} +xref: PMID:36758354 {source="Europe PMC"} +xref: PMID:36982242 {source="Europe PMC"} +xref: PMID:37582091 {source="Europe PMC"} +xref: PMID:37629812 {source="Europe PMC"} +xref: PMID:37931042 {source="Europe PMC"} +xref: PMID:38282685 {source="Europe PMC"} +xref: PMID:38334535 {source="Europe PMC"} +xref: PMID:38398529 {source="Europe PMC"} +xref: PMID:38656102 {source="Europe PMC"} +xref: PMID:7378496 {source="Europe PMC"} +xref: Wikipedia:Titanium_tetrachloride +is_a: CHEBI:33497 ! transition element molecular entity +is_a: NMR:0002111 ! 49Ti spectrum chemical shift reference compound +is_a: NMR:0002112 ! 47Ti spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl4Ti" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XJDNKRIXUMDJCW-UHFFFAOYSA-J" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "189.670" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "187.82335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[Ti](Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:231500 +name: Vanadium oxytrichloride +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl3OV" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JBIQAPKSNFTACH-UHFFFAOYSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "173.290" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.84543" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[V](Cl)(=O)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:231502 +name: Potassium cobalticyanide +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: NMR:0002106 ! 59Co spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CN.CN.CN.CN.CN.CN.Co.K.K.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGRDAQPMSDIUQJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "332.336" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "331.84276" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N" xsd:string + +[Term] +id: CHEBI:231503 +name: Cu(MeCN)4ClO4 +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002134 ! 63Cu spectrum chemical shift reference compound +is_a: NMR:0002135 ! 65Cu spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FXYIJMLSVDZYOJ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "327.200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "325.98431" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C" xsd:string + +[Term] +id: CHEBI:231504 +name: zinc nitrate +namespace: chebi_ontology +def: "An inorganic nitrate salt having zinc(2+) as the couterion." [] +subset: 3_STAR +synonym: "nitric acid zinc salt" RELATED [ChEBI] +synonym: "nitric acid, zinc salt" RELATED [ChEBI] +synonym: "zinc dinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "zinc(II) nitrate" RELATED [ChEBI] +synonym: "Zn(NO3)2" RELATED [ChEBI] +xref: CAS:7779-88-6 {source="ChEBI"} +xref: PMID:26491297 {source="Europe PMC"} +xref: PMID:31398835 {source="Europe PMC"} +xref: PMID:35057288 {source="Europe PMC"} +xref: PMID:35685711 {source="Europe PMC"} +xref: PMID:37828577 {source="Europe PMC"} +xref: PMID:38356607 {source="Europe PMC"} +xref: Wikipedia:Zinc_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002136 ! 67Zn spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.Zn" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONDPHDOFVYQSGI-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "189.390" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "187.90478" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231505 +name: gallium nitrate +namespace: chebi_ontology +alt_id: CHEBI:5269 +def: "The inorganic nitrate salt of gallium." [] +subset: 3_STAR +synonym: "Ga(NO3)3" RELATED [ChEBI] +synonym: "gallium nitrate anhydrous" RELATED [ChEBI] +synonym: "gallium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "gallium(III) nitrate" RELATED [ChEBI] +synonym: "Ganite" RELATED BRAND_NAME [DrugBank] +synonym: "nitric acid gallium salt" RELATED [ChEBI] +synonym: "nitric acid, gallium salt" RELATED [ChEBI] +xref: CAS:13494-90-1 {source="ChEBI"} +xref: DrugBank:DB05260 +xref: PMID:23959335 {source="Europe PMC"} +xref: PMID:24060870 {source="Europe PMC"} +xref: PMID:24656780 {source="Europe PMC"} +xref: PMID:26055478 {source="Europe PMC"} +xref: PMID:26149986 {source="Europe PMC"} +xref: PMID:26369125 {source="Europe PMC"} +xref: PMID:26647856 {source="Europe PMC"} +xref: PMID:26885514 {source="Europe PMC"} +xref: PMID:27027708 {source="Europe PMC"} +xref: PMID:29394029 {source="Europe PMC"} +xref: PMID:31216793 {source="Europe PMC"} +xref: PMID:31264851 {source="Europe PMC"} +xref: PMID:31475514 {source="Europe PMC"} +xref: PMID:31773196 {source="Europe PMC"} +xref: PMID:32845117 {source="Europe PMC"} +xref: PMID:32896958 {source="Europe PMC"} +xref: PMID:33078927 {source="Europe PMC"} +xref: PMID:33257448 {source="Europe PMC"} +xref: PMID:33715736 {source="Europe PMC"} +xref: PMID:34065605 {source="Europe PMC"} +xref: PMID:34133200 {source="Europe PMC"} +xref: PMID:34346692 {source="Europe PMC"} +xref: PMID:34775292 {source="Europe PMC"} +xref: PMID:35564180 {source="Europe PMC"} +xref: PMID:36049087 {source="Europe PMC"} +xref: PMID:36385992 {source="Europe PMC"} +xref: PMID:36621329 {source="Europe PMC"} +xref: PMID:37272820 {source="Europe PMC"} +xref: PMID:37471668 {source="Europe PMC"} +xref: PMID:38672503 {source="Europe PMC"} +xref: PMID:7428136 {source="Europe PMC"} +xref: Wikipedia:Gallium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002137 ! 69Ga spectrum chemical shift reference compound +is_a: NMR:0002138 ! 71Ga spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Ga" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CHPZKNULDCNCBW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "255.735" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.88903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231506 +name: tetramethylgermane +namespace: chebi_ontology +def: "An organogermanium compound that is germanium which carries four methyl groups." [] +subset: 3_STAR +synonym: "(CH3)4Ge" RELATED [NIST_Chemistry_WebBook] +synonym: "Ge(CH3)4" RELATED [ChEBI] +synonym: "Me4Ge" RELATED [ChEBI] +synonym: "tetramethyl germanium" RELATED [ChEBI] +synonym: "tetramethylgermane" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethylgermanium" RELATED [NIST_Chemistry_WebBook] +xref: CAS:865-52-1 {source="NIST Chemistry WebBook"} +xref: PMID:15112560 {source="Europe PMC"} +xref: PMID:15913252 {source="Europe PMC"} +xref: PMID:16610821 {source="Europe PMC"} +xref: PMID:20305357 {source="Europe PMC"} +xref: PMID:23753000 {source="Europe PMC"} +xref: PMID:26617304 {source="Europe PMC"} +xref: PMID:30849877 {source="Europe PMC"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002139 ! 73Ge spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Ge" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRLCXMPFXYVHGS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "132.770" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.01508" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Ge](C)(C)C" xsd:string + +[Term] +id: CHEBI:231507 +name: Sodium hexafluoroarsenate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002140 ! 75As spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "AsF6.Na" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NFXMAZFYHDSPPB-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "211.902" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.90178" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[As-](F)(F)(F)(F)(F)F.[Na+]" xsd:string + +[Term] +id: CHEBI:231508 +name: Zirconocene dichloride +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002146 ! 91Zr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10Cl2Zr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QRUYYSPCOGSZGQ-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "292.310" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92066" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl" xsd:string + +[Term] +id: CHEBI:231509 +name: Ammonium pertechnetate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: NMR:0002150 ! 99Tc spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N.O4Tc" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WJULHBIORCQBSY-UHFFFAOYSA-O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "179.040" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.01000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Tc](=O)([O-])(=O)=O.[NH4+]" xsd:string + +[Term] +id: CHEBI:231510 +name: Potassium hexacyanoruthenate(ii) +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002151 ! 99Ru spectrum chemical shift reference compound +is_a: NMR:0002152 ! 101Ru spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6N6Ru.K.K.K.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FRCBOHAGKUJBHE-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "413.570" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "413.77761" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+]" xsd:string + +[Term] +id: CHEBI:231511 +name: Potassium hexachloropalladate(IV) +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002153 ! 105Pd spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Pd.K.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OEDRXJBJMMJUSV-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "397.320" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "393.64401" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]" xsd:string + +[Term] +id: CHEBI:231512 +name: indium(III) nitrate +namespace: chebi_ontology +def: "The trinitrate salt of indium." [] +subset: 3_STAR +synonym: "In(NO3)3" RELATED [ChEBI] +synonym: "indium nitrate" RELATED [ChEBI] +synonym: "indium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "indium(III) nitrate anhydrous" RELATED [ChEBI] +synonym: "nitric acid indium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, indium(3+) salt" RELATED [ChEBI] +xref: CAS:13770-61-1 {source="ChEBI"} +xref: PMID:31152235 {source="Europe PMC"} +xref: PMID:38456408 {source="Europe PMC"} +xref: PMID:38787340 {source="Europe PMC"} +xref: Wikipedia:Indium(III)_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002154 ! 113In spectrum chemical shift reference compound +is_a: NMR:0002155 ! 115In spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.In" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LKRFCKCBYVZXTC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "300.830" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.86733" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231513 +name: Kaliumhexachloroantimonat(V) +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002156 ! 121Sb spectrum chemical shift reference compound +is_a: NMR:0002157 ! 123Sb spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Sb.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QWPXFQMWSGNALL-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "373.560" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "369.68063" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+]" xsd:string + +[Term] +id: CHEBI:231514 +name: caesium nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of caesium." [] +subset: 3_STAR +synonym: "caesium nitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "cesium nitrate" RELATED [NIST_Chemistry_WebBook] +synonym: "CsNO3" RELATED [ChEBI] +synonym: "nitric acid cesium salt" RELATED [ChEBI] +synonym: "nitric acid, cesium salt" RELATED [ChEBI] +xref: CAS:7789-18-6 {source="NIST Chemistry WebBook"} +xref: PMID:10855667 {source="Europe PMC"} +xref: PMID:11080873 {source="Europe PMC"} +xref: PMID:16755612 {source="Europe PMC"} +xref: PMID:17117865 {source="Europe PMC"} +xref: PMID:30151534 {source="Europe PMC"} +xref: PMID:35411853 {source="Europe PMC"} +xref: Wikipedia:Caesium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002160 ! 133Cs spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.Cs" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLSCHDZTHVNDCP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "194.909" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.89327" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cs+].[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231515 +name: lanthanum trichloride +namespace: chebi_ontology +def: "The trichloride salt of lanthanum." [] +subset: 3_STAR +synonym: "LaCl3" RELATED [ChEBI] +synonym: "lanthanum chloride" RELATED [ChEBI] +synonym: "lanthanum chloride (LaCl3)" RELATED [ChEBI] +synonym: "lanthanum trichloride" EXACT IUPAC_NAME [IUPAC] +synonym: "lanthanum(III) chloride" RELATED [ChEBI] +xref: CAS:10099-58-8 {source="NIST Chemistry WebBook"} +xref: PMID:25048927 {source="Europe PMC"} +xref: PMID:29698762 {source="Europe PMC"} +xref: PMID:30116365 {source="Europe PMC"} +xref: PMID:30617363 {source="Europe PMC"} +xref: PMID:31187842 {source="Europe PMC"} +xref: PMID:31776842 {source="Europe PMC"} +xref: PMID:32461997 {source="Europe PMC"} +xref: PMID:33206094 {source="Europe PMC"} +xref: PMID:34688703 {source="Europe PMC"} +xref: PMID:34977076 {source="Europe PMC"} +xref: PMID:35303612 {source="Europe PMC"} +xref: PMID:35661286 {source="Europe PMC"} +xref: PMID:35727352 {source="Europe PMC"} +xref: PMID:35809677 {source="Europe PMC"} +xref: PMID:36006215 {source="Europe PMC"} +xref: PMID:37767339 {source="Europe PMC"} +xref: PMID:37837874 {source="Europe PMC"} +xref: PMID:38222531 {source="Europe PMC"} +xref: PMID:38322316 {source="Europe PMC"} +xref: Wikipedia:Lanthanum(III)_chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002163 ! 138La spectrum chemical shift reference compound +is_a: NMR:0002164 ! 139La spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl3La" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ICAKDTKJOYSXGC-UHFFFAOYSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "245.260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.81292" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[La](Cl)Cl" xsd:string + +[Term] +id: CHEBI:231529 +name: tetramethylsilane-d12 +namespace: chebi_ontology +def: "A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium." [] +subset: 3_STAR +synonym: "(CD3)4Si" RELATED [ChEBI] +synonym: "tetra((2)H3)methylsilane" RELATED [ChEBI] +synonym: "tetra(methyl-d3)silane" RELATED [ChEBI] +synonym: "tetrakis(trideuteriomethyl)silane" RELATED [ChEBI] +synonym: "tetrakis(trideuteromethyl)silane" RELATED [ChEBI] +synonym: "tetrakis[((2)H3)methyl]silane" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethylsilane (TMS)-d12" RELATED [ChEBI] +synonym: "TMS-d12" RELATED [ChEBI] +xref: CAS:18145-38-5 {source="ChEBI"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000431 ! 2H spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4D12Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZDYPVPMEAXLPK-MGKWXGLJSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "100.298" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.14615" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:231536 +name: Potassium;tantalum(5+);hexachloride +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: NMR:0002167 ! 181Ta spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl.Cl.Cl.Cl.Cl.Cl.K.Ta" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLOUZLJQZAAGJG-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "432.750" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "429.72482" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+]" xsd:string + +[Term] +id: CHEBI:231537 +name: Potassium perrhenate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: NMR:0002168 ! 185Re spectrum chemical shift reference compound +is_a: NMR:0002169 ! 187Re spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Re.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K.4O.Re/q+1;;;;-1;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QFKRWIFGDGKWLM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "289.301" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.89911" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Re](=O)(=O)(=O)[O-].[K+]" xsd:string + +[Term] +id: CHEBI:231538 +name: Bismut(III)-nitrat +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002175 ! 209Bi spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Bi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PPNKDDZCLDMRHS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "394.992" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "394.94385" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]" xsd:string + +[Term] +id: CHEBI:231541 +name: potassium hexachloroniobate(1-) +namespace: chebi_ontology +subset: 3_STAR +synonym: "K[NbCl6]" RELATED [ChEBI] +synonym: "KNbCl6" RELATED [ChEBI] +synonym: "potassium hexachloroniobate(1-)" EXACT IUPAC_NAME [IUPAC] +xref: PMCID:PMC7157447 {source="Europe PMC"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Nb.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GCHPLIDUVOJGPP-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "344.700" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "341.68319" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:23367 +name: molecular entity +namespace: chebi_ontology +def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." [] +subset: 3_STAR +synonym: "entidad molecular" RELATED [IUPAC] +synonym: "entidades moleculares" RELATED [IUPAC] +synonym: "entite moleculaire" RELATED [IUPAC] +synonym: "molecular entities" RELATED [IUPAC] +synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC] +synonym: "molekulare Entitaet" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity +is_a: NMR:1400033 {gci_relation="has_role", gci_filler="CHEBI:228364"} ! chemical shift reference compound + +[Term] +id: CHEBI:24835 +name: inorganic molecular entity +namespace: chebi_ontology +def: "A molecular entity that contains no carbon." [] +subset: 3_STAR +synonym: "anorganische Verbindungen" RELATED [ChEBI] +synonym: "inorganic compounds" RELATED [ChEBI] +synonym: "inorganic entity" RELATED [ChEBI] +synonym: "inorganic molecular entities" RELATED [ChEBI] +synonym: "inorganics" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:24870 +name: ion +namespace: chebi_ontology +def: "A molecular entity having a net electric charge." [] +subset: 3_STAR +synonym: "Ion" EXACT [ChEBI] +synonym: "ion" EXACT IUPAC_NAME [IUPAC] +synonym: "ion" EXACT [ChEBI] +synonym: "Ionen" RELATED [ChEBI] +synonym: "iones" RELATED [ChEBI] +synonym: "ions" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:26078 +name: phosphoric acid +namespace: chebi_ontology +def: "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." [] +subset: 3_STAR +synonym: "[PO(OH)3]" RELATED [IUPAC] +synonym: "acide phosphorique" RELATED [ChEBI] +synonym: "acidum phosphoricum" RELATED [ChEBI] +synonym: "H3PO4" RELATED [IUPAC] +synonym: "Orthophosphoric acid" RELATED [KEGG_COMPOUND] +synonym: "orthophosphoric acid" RELATED [NIST_Chemistry_WebBook] +synonym: "Phosphate" RELATED [KEGG_COMPOUND] +synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] +synonym: "phosphoric acid" EXACT [IUPAC] +synonym: "Phosphorsaeure" RELATED [ChEBI] +synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] +synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] +synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] +synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7664-38-2 {source="NIST Chemistry WebBook"} +xref: CAS:7664-38-2 {source="KEGG COMPOUND"} +xref: CAS:7664-38-2 {source="ChemIDplus"} +xref: Drug_Central:4478 {source="DrugCentral"} +xref: Gmelin:2000 {source="Gmelin"} +xref: HMDB:HMDB0002142 +xref: KEGG:C00009 +xref: KEGG:D05467 +xref: KNApSAcK:C00007408 +xref: PMID:11455380 {source="Europe PMC"} +xref: PMID:15630224 {source="Europe PMC"} +xref: PMID:17439666 {source="Europe PMC"} +xref: PMID:17518491 {source="Europe PMC"} +xref: PMID:22282755 {source="Europe PMC"} +xref: PMID:22333268 {source="Europe PMC"} +xref: PMID:22381614 {source="Europe PMC"} +xref: PMID:22401268 {source="Europe PMC"} +xref: Reaxys:1921286 {source="Reaxys"} +xref: Wikipedia:Phosphoric_Acid +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000058 ! 31P spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4P" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "97.99520" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.97690" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(=O)(O[H])O[H]" xsd:string + +[Term] +id: CHEBI:26710 +name: sodium chloride +namespace: chebi_ontology +def: "An inorganic chloride salt having sodium(1+) as the counterion." [] +subset: 3_STAR +synonym: "chlorure de sodium" RELATED [ChEBI] +synonym: "cloruro sodico" RELATED [ChEBI] +synonym: "common salt" RELATED [ChemIDplus] +synonym: "halite" RELATED [NIST_Chemistry_WebBook] +synonym: "Kochsalz" RELATED [ChEBI] +synonym: "NaCl" RELATED [IUPAC] +synonym: "natrii chloridum" RELATED [ChEBI] +synonym: "Natriumchlorid" RELATED [NIST_Chemistry_WebBook] +synonym: "rock salt" RELATED [ChemIDplus] +synonym: "salt" RELATED [ChemIDplus] +synonym: "sodium chloride" EXACT [ChEBI] +synonym: "sodium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "table salt" RELATED [ChemIDplus] +xref: CAS:7647-14-5 {source="ChemIDplus"} +xref: CAS:7647-14-5 {source="NIST Chemistry WebBook"} +xref: CAS:7647-14-5 {source="KEGG COMPOUND"} +xref: Gmelin:13673 {source="Gmelin"} +xref: KEGG:C13563 +xref: KEGG:D02056 +xref: MetaCyc:NACL +xref: PPDB:595 +xref: Reaxys:3534976 {source="Reaxys"} +xref: Wikipedia:Sodium_Chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002118 ! 37Cl spectrum chemical shift reference compound +is_a: NMR:0002119 ! 35Cl spectrum chemical shift reference compound +is_a: NMR:0002123 ! 23Na spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClNa" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "58.44247" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.95862" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Cl-]" xsd:string + +[Term] +id: CHEBI:29228 +name: hydrogen fluoride +namespace: chebi_ontology +def: "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." [] +subset: 3_STAR +synonym: "[HF]" RELATED [IUPAC] +synonym: "fluorane" EXACT IUPAC_NAME [IUPAC] +synonym: "Fluoride" RELATED [KEGG_COMPOUND] +synonym: "fluoridohydrogen" EXACT IUPAC_NAME [IUPAC] +synonym: "fluorure d'hydrogene" RELATED [ChEBI] +synonym: "Fluorwasserstoff" RELATED [ChEBI] +synonym: "HF" RELATED [IUPAC] +synonym: "hydrofluoric acid" RELATED [ChemIDplus] +synonym: "Hydrogen fluoride" EXACT [KEGG_COMPOUND] +synonym: "hydrogen fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "Hydrogenfluorid" RELATED [ChEBI] +xref: CAS:7664-39-3 {source="NIST Chemistry WebBook"} +xref: CAS:7664-39-3 {source="ChemIDplus"} +xref: CAS:7664-39-3 {source="KEGG COMPOUND"} +xref: Drug_Central:4499 {source="DrugCentral"} +xref: Gmelin:166 {source="Gmelin"} +xref: KEGG:C16487 +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "FH" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "20.00634" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.00623" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[H]" xsd:string + +[Term] +id: CHEBI:29236 +name: protium atom +namespace: chebi_ontology +def: "The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first)." [] +subset: 3_STAR +synonym: "(1)1H" RELATED [IUPAC] +synonym: "(1)H" RELATED [IUPAC] +synonym: "hydrogen-1" RELATED [ChEBI] +synonym: "protio" RELATED [ChEBI] +synonym: "protium" EXACT IUPAC_NAME [IUPAC] +synonym: "protium" RELATED [ChEBI] +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[1H]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZCKVEUIGOORGS-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "1.008" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[1H]" xsd:string + +[Term] +id: CHEBI:29237 +name: deuterium atom +namespace: chebi_ontology +def: "The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second)." [] +subset: 3_STAR +synonym: "(2)1H" RELATED [IUPAC] +synonym: "(2)H" RELATED [IUPAC] +synonym: "D" RELATED [IUPAC] +synonym: "deuterio" RELATED [ChEBI] +synonym: "Deuterium" RELATED [ChEBI] +synonym: "deuterium" EXACT IUPAC_NAME [IUPAC] +synonym: "deuterium" RELATED [ChEBI] +synonym: "heavy hydrogen" RELATED [ChEBI] +synonym: "hidrogeno pesado" RELATED [ChEBI] +synonym: "hydrogen-2" RELATED [ChEBI] +synonym: "schwerer Wasserstoff" RELATED [ChEBI] +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2/h1H/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHFLCQGNIYNRP-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "2.014" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "2.01410" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]" xsd:string + +[Term] +id: CHEBI:29238 +name: tritium atom +namespace: chebi_ontology +def: "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)." [] +subset: 3_STAR +synonym: "(3)1H" RELATED [IUPAC] +synonym: "(3)H" RELATED [IUPAC] +synonym: "hydrogen-3" RELATED [ChEBI] +synonym: "T" RELATED [IUPAC] +synonym: "tritio" RELATED [ChEBI] +synonym: "tritium" EXACT IUPAC_NAME [IUPAC] +synonym: "tritium" RELATED [ChEBI] +synonym: "ueberschwerer Wasserstoff" RELATED [ChEBI] +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "T" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2/h1H/i1+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHFLCQGNIYNRP-NJFSPNSNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01605" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3H]" xsd:string + +[Term] +id: CHEBI:30183 +name: tetramethyllead +namespace: chebi_ontology +subset: 3_STAR +synonym: "Bleitetramethyl" RELATED [ChEBI] +synonym: "lead tetramethyl" RELATED [ChemIDplus] +synonym: "PbMe4" RELATED [IUPAC] +synonym: "tetramethyl lead" RELATED [ChemIDplus] +synonym: "tetramethyllead" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethylplumbane" EXACT IUPAC_NAME [IUPAC] +synonym: "TML" RELATED [NIST_Chemistry_WebBook] +xref: Beilstein:3902986 {source="ChemIDplus"} +xref: CAS:75-74-1 {source="ChemIDplus"} +xref: CAS:75-74-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:2491 {source="Gmelin"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002105 ! 207Pb spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Pb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CH3.Pb/h4*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOOGZRUBTYCLHG-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "267.33808" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.07055" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Pb](C)(C)C" xsd:string + +[Term] +id: CHEBI:30218 +name: helium-3 atom +namespace: chebi_ontology +def: "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium." [] +subset: 3_STAR +synonym: "(3)2He" RELATED [IUPAC] +synonym: "(3)He" RELATED [IUPAC] +synonym: "(3He)helium" RELATED [ChemIDplus] +synonym: "helium, isotope of mass 3" RELATED [ChemIDplus] +synonym: "helium-3" EXACT IUPAC_NAME [IUPAC] +synonym: "helium-3" RELATED [ChEBI] +xref: CAS:14762-55-1 {source="ChemIDplus"} +xref: Gmelin:14208 {source="Gmelin"} +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[3He]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWQJXJOGLNCZEY-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01603" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3He]" xsd:string + +[Term] +id: CHEBI:30236 +name: difluorine +namespace: chebi_ontology +subset: 3_STAR +synonym: "bifluoriden" RELATED [NIST_Chemistry_WebBook] +synonym: "difluorine" EXACT IUPAC_NAME [IUPAC] +synonym: "F2" RELATED [IUPAC] +synonym: "fluorine" RELATED [NIST_Chemistry_WebBook] +xref: CAS:7782-41-4 {source="ChemIDplus"} +xref: CAS:7782-41-4 {source="NIST Chemistry WebBook"} +xref: Gmelin:544 {source="Gmelin"} +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F2/c1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXGOKWXKJXAPGV-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "37.99681" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "37.99681" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FF" xsd:string + +[Term] +id: CHEBI:30251 +name: pentacarbonyliron +namespace: chebi_ontology +subset: 3_STAR +synonym: "[Fe(CO)5]" RELATED [IUPAC] +synonym: "iron pentacarbonyl" RELATED [NIST_Chemistry_WebBook] +synonym: "pentacarbonyliron" EXACT IUPAC_NAME [IUPAC] +synonym: "pentacarbonyliron(0)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:13463-40-6 {source="ChemIDplus"} +xref: CAS:13463-40-6 {source="NIST Chemistry WebBook"} +xref: Gmelin:3567 {source="Gmelin"} +xref: Gmelin:3568 {source="Gmelin"} +xref: MolBase:49 +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002085 ! 57Fe spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5FeO5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5CO.Fe/c5*1-2;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYOFOKCECDGJBF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "195.89550" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.90951" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]" xsd:string + +[Term] +id: CHEBI:30372 +name: tetracarbonylnickel +namespace: chebi_ontology +subset: 3_STAR +synonym: "[Ni(CO)4]" RELATED [IUPAC] +synonym: "Nickel carbonyl" RELATED [ChemIDplus] +synonym: "Nickel tetracarbonyl" RELATED [NIST_Chemistry_WebBook] +synonym: "tetracarbonylnickel" EXACT IUPAC_NAME [IUPAC] +synonym: "tetracarbonylnickel(0)" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:6122797 {source="Beilstein"} +xref: Beilstein:6711606 {source="Beilstein"} +xref: CAS:13463-39-3 {source="NIST Chemistry WebBook"} +xref: CAS:13463-39-3 {source="ChemIDplus"} +xref: Gmelin:101586 {source="Gmelin"} +xref: Gmelin:3135 {source="Gmelin"} +xref: MolBase:138 +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002133 ! 61Ni spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4NiO4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CO.Ni/c4*1-2;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWDHUGLHGCVIEG-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "170.73380" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.91500" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]#C[Ni](C#[O])(C#[O])C#[O]" xsd:string + +[Term] +id: CHEBI:30420 +name: tetramethyltin +namespace: chebi_ontology +def: "An organotin compound carrying four methyl groups." [] +subset: 3_STAR +synonym: "(CH3)4Sn" RELATED [NIST_Chemistry_WebBook] +synonym: "[SnMe4]" RELATED [MolBase] +synonym: "SnMe4" RELATED [IUPAC] +synonym: "tetramethylstannane" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethyltin" EXACT IUPAC_NAME [IUPAC] +xref: CAS:594-27-4 {source="ChemIDplus"} +xref: CAS:594-27-4 {source="NIST Chemistry WebBook"} +xref: Gmelin:1938 {source="Gmelin"} +xref: MolBase:817 +xref: Patent:US4216066 +xref: PMID:22007212 {source="Europe PMC"} +xref: PMID:23320683 {source="Europe PMC"} +xref: Reaxys:3647887 {source="Reaxys"} +xref: Wikipedia:Tetramethyltin +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002093 ! 115Sn spectrum chemical shift reference compound +is_a: NMR:0002094 ! 117Sn spectrum chemical shift reference compound +is_a: NMR:0002095 ! 119Sn spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Sn" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CH3.Sn/h4*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VXKWYPOMXBVZSJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "178.84808" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.99610" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Sn](C)(C)C" xsd:string + +[Term] +id: CHEBI:30496 +name: sulfur hexafluoride +namespace: chebi_ontology +def: "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years)." [] +subset: 3_STAR +synonym: "[SF6]" RELATED [MolBase] +synonym: "hexafluoridosulfur" EXACT IUPAC_NAME [IUPAC] +synonym: "SF6" RELATED [IUPAC] +synonym: "Sonovue" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "sulfur hexafluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur(6+) fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur(VI) fluoride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:2551-62-4 {source="ChemIDplus"} +xref: CAS:2551-62-4 {source="NIST Chemistry WebBook"} +xref: Drug_Central:4039 {source="DrugCentral"} +xref: Gmelin:2752 {source="Gmelin"} +xref: KEGG:D05962 +xref: MolBase:971 +xref: PMID:25459612 {source="Europe PMC"} +xref: PMID:25559529 {source="Europe PMC"} +xref: PMID:25607376 {source="Europe PMC"} +xref: PMID:25647411 {source="Europe PMC"} +xref: PMID:25660738 {source="Europe PMC"} +xref: Reaxys:7247840 {source="Reaxys"} +xref: Wikipedia:Sulfur_hexafluoride +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F6S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SFZCNBIFKDRMGX-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.050" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.96249" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FS(F)(F)(F)(F)F" xsd:string + +[Term] +id: CHEBI:30786 +name: dimethylmercury +namespace: chebi_ontology +subset: 3_STAR +synonym: "[HgMe2]" RELATED [MolBase] +synonym: "Dimethyl mercury" RELATED [ChemIDplus] +synonym: "dimethylmercury" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:3600205 {source="Beilstein"} +xref: CAS:593-74-8 {source="NIST Chemistry WebBook"} +xref: CAS:593-74-8 {source="ChemIDplus"} +xref: Gmelin:25889 {source="Gmelin"} +xref: MolBase:298 +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002102 ! 199Hg spectrum chemical shift reference compound +is_a: NMR:0002174 ! 201Hg spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Hg" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2CH3.Hg/h2*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATZBPOVXVPIOMR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "230.65904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.01759" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Hg]C" xsd:string + +[Term] +id: CHEBI:32130 +name: silver(1+) nitrate +namespace: chebi_ontology +subset: 3_STAR +synonym: "AgNO3" RELATED [IUPAC] +synonym: "nitric acid silver(I) salt" RELATED [ChemIDplus] +synonym: "silver mononitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "silver nitrate" RELATED [ChemIDplus] +synonym: "silver(1+) nitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "silver(I) nitrate" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7761-88-8 {source="ChemIDplus"} +xref: Gmelin:23909 {source="Gmelin"} +xref: KEGG:D01730 +xref: Wikipedia:Silver_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002089 ! 107Ag spectrum chemical shift reference compound +is_a: NMR:0002090 ! 109Ag spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "AgNO3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SQGYOTSLMSWVJD-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "169.87314" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.89291" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ag+].[O-]N(=O)=O" xsd:string + +[Term] +id: CHEBI:32588 +name: potassium chloride +namespace: chebi_ontology +def: "A metal chloride salt with a K(+) counterion." [] +subset: 3_STAR +synonym: "[KCl]" RELATED [MolBase] +synonym: "Kaliumchlorid" RELATED [ChEBI] +synonym: "Kaon-Cl 10" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "KCl" RELATED [IUPAC] +synonym: "Klor-con" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "Klotrix" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "Monopotassium chloride" RELATED [DrugBank] +synonym: "muriate of potash" RELATED [NIST_Chemistry_WebBook] +synonym: "potassium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "sylvite" RELATED [ChEBI] +xref: CAS:7447-40-7 {source="NIST Chemistry WebBook"} +xref: CAS:7447-40-7 {source="ChemIDplus"} +xref: DrugBank:DB00761 +xref: KEGG:D02060 +xref: MetaCyc:KCL +xref: MolBase:881 +xref: Reaxys:3534978 {source="Reaxys"} +xref: Wikipedia:Potassium_Chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002115 ! 41K spectrum chemical shift reference compound +is_a: NMR:0002116 ! 40K spectrum chemical shift reference compound +is_a: NMR:0002117 ! 39K spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClK" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "74.55100" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.93256" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[K+]" xsd:string + +[Term] +id: CHEBI:32954 +name: sodium acetate +namespace: chebi_ontology +subset: 3_STAR +synonym: "acetic acid, sodium salt" RELATED [ChemIDplus] +synonym: "anhydrous sodium acetate" RELATED [ChemIDplus] +synonym: "Natriumazetat" RELATED [ChEBI] +synonym: "sodium acetate" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium acetate anhydrous" RELATED [ChemIDplus] +xref: Beilstein:3595639 {source="Beilstein"} +xref: CAS:127-09-3 {source="ChemIDplus"} +xref: Gmelin:20502 {source="Gmelin"} +xref: Wikipedia:Sodium_Acetate +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NaO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VMHLLURERBWHNL-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "82.03379" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "82.00307" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].CC([O-])=O" xsd:string + +[Term] +id: CHEBI:3312 +name: calcium dichloride +namespace: chebi_ontology +subset: 3_STAR +synonym: "[CaCl2]" RELATED [MolBase] +synonym: "CaCl2" RELATED [IUPAC] +synonym: "calcium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Calcium chloride anhydrous" RELATED [KEGG_COMPOUND] +synonym: "calcium chloride anhydrous" RELATED [ChemIDplus] +synonym: "calcium dichloride" EXACT IUPAC_NAME [IUPAC] +xref: AGR:IND607339542 {source="Europe PMC"} +xref: CAS:10043-52-4 {source="NIST Chemistry WebBook"} +xref: CAS:10043-52-4 {source="ChemIDplus"} +xref: CAS:10043-52-4 {source="KEGG COMPOUND"} +xref: DrugBank:DB01164 +xref: FooDB:FDB015404 +xref: HMDB:HMDB0303526 +xref: KEGG:C08130 +xref: MetaCyc:CPD0-1589 +xref: MolBase:1869 +xref: PMID:11057678 {source="Europe PMC"} +xref: PMID:13333715 {source="Europe PMC"} +xref: PMID:32018153 {source="Europe PMC"} +xref: PMID:32441097 {source="Europe PMC"} +xref: PMID:34618995 {source="Europe PMC"} +xref: PMID:34981086 {source="Europe PMC"} +xref: PMID:35159430 {source="Europe PMC"} +xref: PMID:35159592 {source="Europe PMC"} +xref: PMID:35200459 {source="Europe PMC"} +xref: PMID:35260323 {source="Europe PMC"} +xref: PPDB:109 +xref: Wikipedia:Calcium_Chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002114 ! 43Ca spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CaCl2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "110.98340" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.90030" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Ca++]" xsd:string + +[Term] +id: CHEBI:33232 +name: application +namespace: chebi_ontology +def: "Intended use of the molecular entity or part thereof by humans." [] +subset: 3_STAR +is_a: BFO:0000023 ! role + +[Term] +id: CHEBI:33250 +name: atom +namespace: chebi_ontology +alt_id: CHEBI:22671 +alt_id: CHEBI:23907 +def: "A chemical entity constituting the smallest component of an element having the chemical properties of the element." [] +subset: 3_STAR +synonym: "atom" EXACT IUPAC_NAME [IUPAC] +synonym: "atome" RELATED [IUPAC] +synonym: "atomo" RELATED [IUPAC] +synonym: "atoms" RELATED [ChEBI] +synonym: "atomus" RELATED [ChEBI] +synonym: "element" RELATED [ChEBI] +synonym: "elements" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity +relationship: has_part CHEBI:33252 ! atomic nucleus + +[Term] +id: CHEBI:33252 +name: atomic nucleus +namespace: chebi_ontology +def: "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." [] +subset: 3_STAR +synonym: "Atomkern" RELATED [ChEBI] +synonym: "Kern" RELATED [ChEBI] +synonym: "noyau" RELATED [IUPAC] +synonym: "noyau atomique" RELATED [ChEBI] +synonym: "nuclei" RELATED [ChEBI] +synonym: "nucleo" RELATED [IUPAC] +synonym: "nucleo atomico" RELATED [ChEBI] +synonym: "nucleus" EXACT IUPAC_NAME [IUPAC] +synonym: "nucleus atomi" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity + +[Term] +id: CHEBI:33259 +name: elemental molecular entity +namespace: chebi_ontology +def: "A molecular entity all atoms of which have the same atomic number." [] +subset: 3_STAR +synonym: "homoatomic entity" RELATED [ChEBI] +synonym: "homoatomic molecular entities" RELATED [ChEBI] +synonym: "homoatomic molecular entity" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33310 +name: neon atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "10Ne" RELATED [IUPAC] +synonym: "Ne" RELATED [ChEBI] +synonym: "Neon" RELATED [ChEBI] +synonym: "neon" EXACT IUPAC_NAME [IUPAC] +synonym: "neon" RELATED [ChEBI] +xref: CAS:7440-01-9 {source="ChemIDplus"} +xref: WebElements:Ne +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002124 ! 21Ne spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Ne" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ne" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKAOGPIIYCISHV-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "20.17970" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "19.99244" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ne]" xsd:string + +[Term] +id: CHEBI:33371 +name: technetium-99 +namespace: chebi_ontology +subset: 3_STAR +synonym: "(99)43Tc" RELATED [IUPAC] +synonym: "(99)Tc" RELATED [IUPAC] +synonym: "technetium, isotope of mass 99" RELATED [ChemIDplus] +synonym: "technetium-99" EXACT IUPAC_NAME [IUPAC] +xref: CAS:14133-76-7 {source="ChemIDplus"} +xref: Gmelin:41657 {source="Gmelin"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[99Tc]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Tc/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKLVYJBZJHMRIY-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "98.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.90625" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[99Tc]" xsd:string + +[Term] +id: CHEBI:33497 +name: transition element molecular entity +namespace: chebi_ontology +def: "A molecular entity containing one or more atoms of a transition element." [] +subset: 3_STAR +synonym: "transition element molecular entities" RELATED [ChEBI] +synonym: "transition metal molecular entity" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33579 +name: main group molecular entity +namespace: chebi_ontology +def: "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." [] +subset: 3_STAR +synonym: "main group compounds" RELATED [ChEBI] +synonym: "main group molecular entities" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33681 +name: helium(0) +namespace: chebi_ontology +subset: 3_STAR +synonym: "[He]" RELATED [MolBase] +synonym: "atomic helium" RELATED [ChemIDplus] +synonym: "E 939" RELATED [ChEBI] +synonym: "E-939" RELATED [ChEBI] +synonym: "E939" RELATED [ChEBI] +synonym: "He" RELATED [IUPAC] +synonym: "helium" RELATED [IUPAC] +synonym: "helium(0)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7440-59-7 {source="ChemIDplus"} +xref: MolBase:922 +xref: PMID:24383961 {source="Europe PMC"} +xref: PMID:24406316 {source="Europe PMC"} +xref: PMID:24430541 {source="Europe PMC"} +xref: PMID:24553240 {source="Europe PMC"} +xref: Wikipedia:Helium +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002082 ! 3He spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "He" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWQJXJOGLNCZEY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "4.00260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "4.00260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[He]" xsd:string + +[Term] +id: CHEBI:33819 +name: oxygen-17 atom +namespace: chebi_ontology +def: "The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen." [] +subset: 3_STAR +synonym: "(17)8O" RELATED [IUPAC] +synonym: "(17)O" RELATED [IUPAC] +synonym: "oxygen, isotope of mass 17" RELATED [ChemIDplus] +synonym: "oxygen-17" EXACT IUPAC_NAME [IUPAC] +synonym: "oxygen-17" RELATED [ChEBI] +xref: CAS:13968-48-4 {source="ChemIDplus"} +xref: Gmelin:17561 {source="Gmelin"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[17O]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QVGXLLKOCUKJST-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "16.999" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.99913" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[17O]" xsd:string + +[Term] +id: CHEBI:34856 +name: morpholine +namespace: chebi_ontology +def: "An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family." [] +subset: 3_STAR +synonym: "1,4-oxazinane" RELATED [ChEBI] +synonym: "1-oxa-4-azacyclohexane" RELATED [ChemIDplus] +synonym: "diethylene imidoxide" RELATED [ChemIDplus] +synonym: "diethylene oximide" RELATED [ChemIDplus] +synonym: "diethylenimide oxide" RELATED [ChemIDplus] +synonym: "Morpholine" EXACT [KEGG_COMPOUND] +synonym: "morpholine" EXACT IUPAC_NAME [IUPAC] +synonym: "tetrahydro-1,4-oxazine" RELATED [KEGG_COMPOUND] +synonym: "tetrahydro-p-oxazine" RELATED [ChemIDplus] +xref: Beilstein:102549 {source="Beilstein"} +xref: CAS:110-91-8 {source="ChemIDplus"} +xref: CAS:110-91-8 {source="NIST Chemistry WebBook"} +xref: CAS:110-91-8 {source="KEGG COMPOUND"} +xref: Chemspider:13837537 +xref: DrugBank:DB13669 +xref: FooDB:FDB008207 +xref: Gmelin:1803 {source="Gmelin"} +xref: HMDB:HMDB0031581 +xref: KEGG:C14452 +xref: PDBeChem:6LR +xref: PMID:15017096 {source="Europe PMC"} +xref: PMID:2699898 {source="Europe PMC"} +xref: PMID:31512284 {source="Europe PMC"} +xref: PMID:31978684 {source="Europe PMC"} +xref: PMID:32017384 {source="Europe PMC"} +xref: PMID:33459557 {source="Europe PMC"} +xref: Wikipedia:Morpholine +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "87.122" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.06841" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCCN1" xsd:string + +[Term] +id: CHEBI:35568 +name: mancude ring +namespace: chebi_ontology +def: "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." [] +subset: 3_STAR +synonym: "mancude rings" RELATED [ChEBI] +synonym: "mancude-ring systems" EXACT IUPAC_NAME [IUPAC] +synonym: "mancunide-ring systems" RELATED [IUPAC] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:36357 +name: polyatomic entity +namespace: chebi_ontology +def: "Any molecular entity consisting of more than one atom." [] +subset: 3_STAR +synonym: "polyatomic entities" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:36383 +name: strontium dichloride +namespace: chebi_ontology +subset: 3_STAR +synonym: "SrCl2" RELATED [IUPAC] +synonym: "strontium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "strontium dichloride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:10476-85-4 {source="NIST Chemistry WebBook"} +xref: CAS:10476-85-4 {source="ChemIDplus"} +xref: Gmelin:463924 {source="Gmelin"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHBGXTDRMVNFER-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "158.52540" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.84332" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Sr++]" xsd:string + +[Term] +id: CHEBI:36601 +name: triphenylphosphane oxide +namespace: chebi_ontology +def: "A phosphine oxide in which the substituents on phosphorus are three phenyl groups." [] +subset: 3_STAR +synonym: "triphenyl phosphine oxide" RELATED [ChemIDplus] +synonym: "triphenyl phosphorus oxide" RELATED [ChemIDplus] +synonym: "triphenyl-lambda(5)-phosphanone" EXACT IUPAC_NAME [IUPAC] +synonym: "triphenylphosphane oxide" EXACT IUPAC_NAME [IUPAC] +synonym: "Triphenylphosphanoxid" RELATED [NIST_Chemistry_WebBook] +synonym: "triphenylphosphanoxide" RELATED [NIST_Chemistry_WebBook] +synonym: "triphenylphosphine oxide" RELATED [ChemIDplus] +xref: CAS:791-28-6 {source="ChemIDplus"} +xref: CAS:791-28-6 {source="NIST Chemistry WebBook"} +xref: Gmelin:6758 {source="Gmelin"} +xref: PMID:24280613 {source="Europe PMC"} +xref: PMID:24285309 {source="Europe PMC"} +xref: Reaxys:745854 {source="Reaxys"} +xref: Wikipedia:Triphenylphosphine_oxide +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H15OP" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FIQMHBFVRAXMOP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "278.28486" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.08605" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=P(c1ccccc1)(c1ccccc1)c1ccccc1" xsd:string + +[Term] +id: CHEBI:36810 +name: (trifluoromethyl)benzene +namespace: chebi_ontology +def: "A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group." [] +subset: 3_STAR +synonym: "(trifluoromethyl)benzene" EXACT IUPAC_NAME [IUPAC] +synonym: "alpha,alpha,alpha-trifluorotoluene" RELATED [NIST_Chemistry_WebBook] +synonym: "benzotrifluoride" RELATED [ChemIDplus] +synonym: "C6H5CF3" RELATED [ChEBI] +synonym: "CF3Ph" RELATED [ChEBI] +synonym: "omega-trifluorotoluene" RELATED [NIST_Chemistry_WebBook] +synonym: "PhCF3" RELATED [ChEBI] +synonym: "phenylfluoroform" RELATED [NIST_Chemistry_WebBook] +synonym: "trifluoromethylbenzene" RELATED [ChemIDplus] +xref: CAS:98-08-8 {source="NIST Chemistry WebBook"} +xref: CAS:98-08-8 {source="ChemIDplus"} +xref: Gmelin:3670 {source="Gmelin"} +xref: PMID:11671431 {source="Europe PMC"} +xref: PMID:20958547 {source="Europe PMC"} +xref: PMID:24267073 {source="Europe PMC"} +xref: PMID:24669762 {source="Europe PMC"} +xref: Reaxys:1906908 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5F3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETTZEONDQJALK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.10980" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.03433" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)c1ccccc1" xsd:string + +[Term] +id: CHEBI:36928 +name: carbon-13 atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "(13)6C" RELATED [IUPAC] +synonym: "(13)C" RELATED [IUPAC] +synonym: "carbon, isotope of mass 13" RELATED [ChemIDplus] +synonym: "carbon-13" EXACT IUPAC_NAME [IUPAC] +synonym: "carbon-13" RELATED [ChEBI] +synonym: "carbon-13 atom" EXACT [ChemIDplus] +xref: CAS:14762-74-4 {source="ChemIDplus"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[13C]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "13.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "13.00335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[13C]" xsd:string + +[Term] +id: CHEBI:36934 +name: nitrogen-15 atom +namespace: chebi_ontology +def: "The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen." [] +subset: 3_STAR +synonym: "(15)7N" RELATED [IUPAC] +synonym: "(15)N" RELATED [IUPAC] +synonym: "nitrogen, isotope of mass 15" RELATED [ChemIDplus] +synonym: "nitrogen-15" EXACT IUPAC_NAME [IUPAC] +synonym: "nitrogen-15" RELATED [ChEBI] +xref: CAS:14390-96-6 {source="ChemIDplus"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[15N]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QJGQUHMNIGDVPM-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "15.000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.00011" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[15N]" xsd:string + +[Term] +id: CHEBI:36938 +name: nitrogen-14 atom +namespace: chebi_ontology +def: "The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen." [] +subset: 3_STAR +synonym: "(14)7N" RELATED [IUPAC] +synonym: "(14)N" RELATED [IUPAC] +synonym: "nitrogen-14" EXACT IUPAC_NAME [IUPAC] +synonym: "nitrogen-14" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[14N]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QJGQUHMNIGDVPM-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "14.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[14N]" xsd:string + +[Term] +id: CHEBI:36940 +name: fluorine-19 atom +namespace: chebi_ontology +def: "The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(19)9F" RELATED [IUPAC] +synonym: "(19)F" RELATED [ChEBI] +synonym: "fluorine-19" EXACT IUPAC_NAME [IUPAC] +synonym: "fluorine-19" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[19F]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCKRFDGAMUMZLT-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[19F]" xsd:string + +[Term] +id: CHEBI:37968 +name: aluminium-27 atom +namespace: chebi_ontology +def: "The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2." [] +subset: 3_STAR +synonym: "(27)13Al" RELATED [IUPAC] +synonym: "(27)Al" RELATED [IUPAC] +synonym: "aluminium-27" EXACT IUPAC_NAME [IUPAC] +synonym: "aluminium-27" RELATED [ChEBI] +synonym: "aluminum, isotope of mass 27" RELATED [ChEBI] +synonym: "aluminum-27" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[27Al]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XAGFODPZIPBFFR-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "26.982" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.98154" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[27Al]" xsd:string + +[Term] +id: CHEBI:37971 +name: phosphorus-31 atom +namespace: chebi_ontology +def: "The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(31)15P" RELATED [IUPAC] +synonym: "(31)P" RELATED [IUPAC] +synonym: "phosphorus-31" EXACT IUPAC_NAME [IUPAC] +synonym: "phosphorus-31" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[31P]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAICVXFJPJFONN-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "30.974" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.97376" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[31P]" xsd:string + +[Term] +id: CHEBI:37974 +name: silicon-29 atom +namespace: chebi_ontology +def: "The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(29)14Si" RELATED [IUPAC] +synonym: "(29)Si" RELATED [IUPAC] +synonym: "silicon-29" EXACT IUPAC_NAME [IUPAC] +synonym: "silicon-29" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[29Si]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Si/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIMIQQOPSSXEZ-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "28.976" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.97649" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[29Si]" xsd:string + +[Term] +id: CHEBI:37980 +name: sulfur-33 atom +namespace: chebi_ontology +def: "The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2." [] +subset: 3_STAR +synonym: "(33)16S" RELATED [IUPAC] +synonym: "(33)S" RELATED [IUPAC] +synonym: "sulfur, isotope of mass 33" RELATED [ChemIDplus] +synonym: "sulfur-33" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur-33" RELATED [ChEBI] +synonym: "sulphur-33" RELATED [ChEBI] +xref: CAS:14257-58-0 {source="ChemIDplus"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[33S]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NINIDFKCEFEMDL-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "32.971" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97146" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[33S]" xsd:string + +[Term] +id: CHEBI:38472 +name: acetonitrile +namespace: chebi_ontology +alt_id: CHEBI:22185 +alt_id: CHEBI:30972 +alt_id: CHEBI:41432 +def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group." [] +subset: 3_STAR +synonym: "ACETONITRILE" EXACT [PDBeChem] +synonym: "acetonitrile" EXACT IUPAC_NAME [IUPAC] +synonym: "CH3-C#N" RELATED [IUPAC] +synonym: "cyanomethane" RELATED [NIST_Chemistry_WebBook] +synonym: "ethanenitrile" RELATED [NIST_Chemistry_WebBook] +synonym: "MeCN" RELATED [IUPAC] +synonym: "methyl cyanide" RELATED [IUPAC] +synonym: "NCMe" RELATED [ChEBI] +xref: Beilstein:741857 {source="Beilstein"} +xref: CAS:75-05-8 {source="ChemIDplus"} +xref: CAS:75-05-8 {source="NIST Chemistry WebBook"} +xref: Gmelin:895 {source="Gmelin"} +xref: PDBeChem:CCN +xref: PMID:17347819 {source="Europe PMC"} +xref: PMID:19100763 {source="Europe PMC"} +xref: PMID:20370615 {source="Europe PMC"} +xref: PMID:985423 {source="Europe PMC"} +xref: PPDB:1349 +xref: Reaxys:741857 {source="Reaxys"} +xref: Wikipedia:Acetonitrile +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N/c1-2-3/h1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WEVYAHXRMPXWCK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "41.05196" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.02655" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC#N" xsd:string + +[Term] +id: CHEBI:38585 +name: 1,4-difluorobenzene +namespace: chebi_ontology +subset: 3_STAR +synonym: "1,4-Difluorbenzol" RELATED [ChEBI] +synonym: "1,4-difluorobenzene" EXACT IUPAC_NAME [IUPAC] +synonym: "p-difluorobenzene" RELATED [ChemIDplus] +synonym: "para-difluorobenzene" RELATED [NIST_Chemistry_WebBook] +xref: Beilstein:1904541 {source="Beilstein"} +xref: CAS:540-36-3 {source="ChemIDplus"} +xref: CAS:540-36-3 {source="NIST Chemistry WebBook"} +xref: Gmelin:142070 {source="Gmelin"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4F2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUGUFLJIAFISSW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "114.09277" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.02811" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccc(F)cc1" xsd:string + +[Term] +id: CHEBI:38589 +name: hexafluorobenzene +namespace: chebi_ontology +def: "A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine." [] +subset: 3_STAR +synonym: "1,2,3,4,5,6-hexafluorobenzene" RELATED [NIST_Chemistry_WebBook] +synonym: "Hexafluorbenzol" RELATED [ChEBI] +synonym: "hexafluorobenzene" EXACT IUPAC_NAME [IUPAC] +synonym: "perfluorobenzene" RELATED [ChemIDplus] +xref: Beilstein:1683438 {source="Beilstein"} +xref: CAS:392-56-3 {source="NIST Chemistry WebBook"} +xref: CAS:392-56-3 {source="ChemIDplus"} +xref: Gmelin:101976 {source="Gmelin"} +xref: PMID:23869742 {source="Europe PMC"} +xref: PMID:24050348 {source="Europe PMC"} +xref: PMID:25416887 {source="Europe PMC"} +xref: PMID:26910443 {source="Europe PMC"} +xref: PMID:27043131 {source="Europe PMC"} +xref: PMID:27133442 {source="Europe PMC"} +xref: PMID:27557055 {source="Europe PMC"} +xref: PMID:33582441 {source="Europe PMC"} +xref: PMID:33938749 {source="Europe PMC"} +xref: PMID:37272941 {source="Europe PMC"} +xref: PMID:38193267 {source="Europe PMC"} +xref: PMID:38221873 {source="Europe PMC"} +xref: Wikipedia:Hexafluorobenzene +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6F6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQBFAOFFOQMSGJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "186.05462" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.99042" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1c(F)c(F)c(F)c(F)c1F" xsd:string + +[Term] +id: CHEBI:39429 +name: hexafluoroacetone +namespace: chebi_ontology +def: "A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups." [] +subset: 3_STAR +synonym: "(CF3)2CO" RELATED [NIST_Chemistry_WebBook] +synonym: "1,1,1,3,3,3-hexafluoro-2-propanone" RELATED [ChemIDplus] +synonym: "1,1,1,3,3,3-hexafluoroacetone" EXACT IUPAC_NAME [IUPAC] +synonym: "6FK" RELATED [ChemIDplus] +synonym: "hexafluoropropanone" RELATED [NIST_Chemistry_WebBook] +synonym: "perfluoro-2-propanone" RELATED [ChemIDplus] +synonym: "perfluoroacetone" RELATED [ChemIDplus] +xref: CAS:684-16-2 {source="ChemIDplus"} +xref: CAS:684-16-2 {source="NIST Chemistry WebBook"} +xref: Gmelin:27263 {source="Gmelin"} +xref: Patent:CN102964231 +xref: Patent:CN102976908 +xref: PMID:22481381 {source="Europe PMC"} +xref: PMID:24186328 {source="Europe PMC"} +xref: Reaxys:607236 {source="Reaxys"} +xref: Wikipedia:Hexafluoroacetone +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3F6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBZWSGALLODQNC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "166.02192" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.98533" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(=O)C(F)(F)F" xsd:string + +[Term] +id: CHEBI:41981 +name: dideuterium oxide +namespace: chebi_ontology +alt_id: CHEBI:29373 +alt_id: CHEBI:41979 +subset: 3_STAR +synonym: "((2)H2)water" RELATED [IUPAC] +synonym: "[OD2]" RELATED [MolBase] +synonym: "D2O" RELATED [IUPAC] +synonym: "DEUTERATED WATER" RELATED [PDBeChem] +synonym: "deuterium oxide" RELATED [ChemIDplus] +synonym: "Deuteriumoxid" RELATED [ChEBI] +synonym: "dideuterium oxide" EXACT IUPAC_NAME [IUPAC] +synonym: "heavy water" RELATED [NIST_Chemistry_WebBook] +synonym: "schweres Wasser" RELATED [ChEBI] +xref: CAS:7789-20-0 {source="NIST Chemistry WebBook"} +xref: CAS:7789-20-0 {source="ChemIDplus"} +xref: Gmelin:97 {source="Gmelin"} +xref: MolBase:1647 +xref: PDBeChem:DOD +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:0002125 ! 17O spectrum chemical shift reference compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "D2O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O/h1H2/i/hD2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLYOFNOQVPJJNP-ZSJDYOACSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "20.027" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.02312" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]O[2H]" xsd:string + +[Term] +id: CHEBI:45892 +name: trifluoroacetic acid +namespace: chebi_ontology +alt_id: CHEBI:27111 +def: "A monocarboxylic acid that is the trifluoro derivative of acetic acid." [] +subset: 3_STAR +synonym: "acide trifluoroacetique" RELATED [ChEBI] +synonym: "CF3COOH" RELATED [NIST_Chemistry_WebBook] +synonym: "perfluoroacetic acid" RELATED [NIST_Chemistry_WebBook] +synonym: "TFA" RELATED [ChEBI] +synonym: "Trifluoressigsaeure" RELATED [ChEBI] +synonym: "trifluoroacetic acid" EXACT IUPAC_NAME [IUPAC] +xref: CAS:76-05-1 {source="ChemIDplus"} +xref: CAS:76-05-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:2729 {source="Gmelin"} +xref: HMDB:HMDB0014118 +xref: PMID:11498800 {source="Europe PMC"} +xref: PMID:7696372 {source="Europe PMC"} +xref: Reaxys:742035 {source="Reaxys"} +xref: Wikipedia:Trifluoroacetic_acid +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HF3O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DTQVDTLACAAQTR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "114.02335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.99286" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)F" xsd:string + +[Term] +id: CHEBI:4610 +name: dimethylselenide +namespace: chebi_ontology +def: "An organoselenium compound of two methyl groups covalently bound to a selenium." [] +subset: 3_STAR +synonym: "(CH3)2Se" RELATED [NIST_Chemistry_WebBook] +synonym: "(methylselanyl)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "dimethyl selenide" EXACT IUPAC_NAME [IUPAC] +synonym: "Dimethylselenium" RELATED [ChemIDplus] +synonym: "Methyl selenide" RELATED [ChemIDplus] +synonym: "Methyl selenium" RELATED [ChemIDplus] +synonym: "Selenium dimethyl" RELATED [NIST_Chemistry_WebBook] +synonym: "Selenobismethane" RELATED [HMDB] +xref: CAS:593-79-3 {source="NIST Chemistry WebBook"} +xref: CAS:593-79-3 {source="ChemIDplus"} +xref: CAS:593-79-3 {source="KEGG COMPOUND"} +xref: HMDB:HMDB0033212 +xref: KEGG:C02535 +xref: MetaCyc:CPD-12005 +xref: PMID:15150252 {source="Europe PMC"} +xref: PMID:15233545 {source="Europe PMC"} +xref: PMID:1652783 {source="Europe PMC"} +xref: PMID:20152423 {source="Europe PMC"} +xref: PMID:21069149 {source="Europe PMC"} +xref: PMID:23454698 {source="Europe PMC"} +xref: PMID:23590617 {source="Europe PMC"} +xref: PMID:24241025 {source="Europe PMC"} +xref: PMID:4851946 {source="Europe PMC"} +xref: PMID:5079352 {source="Europe PMC"} +xref: PMID:8179331 {source="Europe PMC"} +xref: Reaxys:1696848 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002086 ! 77Se spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Se" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6Se/c1-3-2/h1-2H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RVIXKDRPFPUUOO-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "109.03000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.96347" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Se]C" xsd:string + +[Term] +id: CHEBI:4613 +name: dimethyl telluride +namespace: chebi_ontology +def: "An organotellurium compound in which the tellurium atom is covalently bonded to two methyl groups. A xenobiotic metabolite produced by certain strains of bacteria exposed to tellurium containing compounds." [] +subset: 3_STAR +synonym: "Dimethyl telluride" EXACT [KEGG_COMPOUND] +synonym: "dimethyl telluride" EXACT IUPAC_NAME [IUPAC] +synonym: "dimethyltellane" EXACT IUPAC_NAME [IUPAC] +synonym: "Dimethyltelluride" RELATED [NIST_Chemistry_WebBook] +synonym: "dimethyltellurium" EXACT IUPAC_NAME [IUPAC] +synonym: "TeMe2" RELATED [IUPAC] +xref: CAS:593-80-6 {source="ChemIDplus"} +xref: CAS:593-80-6 {source="NIST Chemistry WebBook"} +xref: CAS:593-80-6 {source="KEGG COMPOUND"} +xref: Gmelin:1480 {source="Gmelin"} +xref: KEGG:C02677 +xref: PMID:5079352 {source="Europe PMC"} +xref: PMID:9096851 {source="Europe PMC"} +xref: Reaxys:1696849 {source="Reaxys"} +xref: Wikipedia:Dimethyl_telluride +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002096 ! 123Te spectrum chemical shift reference compound +is_a: NMR:0002097 ! 125Te spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Te" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6Te/c1-3-2/h1-2H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMUZFVVKDBZHGP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "157.66904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "159.95317" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Te]C" xsd:string + +[Term] +id: CHEBI:46324 +name: trimethyl phosphate +namespace: chebi_ontology +def: "A trialkyl phosphate that is the trimethyl ester of phosphoric acid." [] +subset: 3_STAR +synonym: "O,O,O-Trimethyl phosphate" RELATED [ChemIDplus] +synonym: "Phosphoric acid, trimethyl ester" RELATED [ChemIDplus] +synonym: "TMP" RELATED [ChemIDplus] +synonym: "TMPA" RELATED [ChemIDplus] +synonym: "TMPO" RELATED [ChemIDplus] +synonym: "Trimethoxyphosphine oxide" RELATED [ChemIDplus] +synonym: "Trimethyl orthophosphate" RELATED [ChemIDplus] +synonym: "TRIMETHYL PHOSPHATE" EXACT [PDBeChem] +synonym: "trimethyl phosphate" EXACT IUPAC_NAME [IUPAC] +xref: CAS:512-56-1 {source="ChemIDplus"} +xref: CAS:512-56-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:49926 {source="Gmelin"} +xref: PDBeChem:TZZ +xref: PMID:17083219 {source="Europe PMC"} +xref: PMID:18409209 {source="Europe PMC"} +xref: Reaxys:1071731 {source="Reaxys"} +xref: Wikipedia:Trimethyl_phosphate +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000058 ! 31P spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9O4P" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WVLBCYQITXONBZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "140.07492" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.02385" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)OC" xsd:string + +[Term] +id: CHEBI:47032 +name: 1,4-dioxane +namespace: chebi_ontology +alt_id: CHEBI:34064 +alt_id: CHEBI:41951 +alt_id: CHEBI:46925 +def: "A dioxane with oxygen atoms at positions 1 and 4." [] +subset: 3_STAR +synonym: "1,4-DIETHYLENE DIOXIDE" RELATED [PDBeChem] +synonym: "1,4-dioxacyclohexane" RELATED [ChemIDplus] +synonym: "1,4-Dioxan" RELATED [NIST_Chemistry_WebBook] +synonym: "1,4-Dioxane" EXACT [KEGG_COMPOUND] +synonym: "1,4-dioxane" EXACT IUPAC_NAME [IUPAC] +synonym: "di(ethylene oxide)" RELATED [ChemIDplus] +synonym: "Dioxan-1,4" RELATED [ChemIDplus] +synonym: "dioxane-1,4" RELATED [ChemIDplus] +synonym: "glycol ethylene ether" RELATED [ChemIDplus] +synonym: "p-Dioxane" RELATED [KEGG_COMPOUND] +synonym: "tetrahydro-1,4-dioxin" RELATED [NIST_Chemistry_WebBook] +synonym: "tetrahydro-p-dioxin" RELATED [ChemIDplus] +synonym: "tetrahydro-para-dioxin" RELATED [ChemIDplus] +xref: CAS:123-91-1 {source="ChemIDplus"} +xref: CAS:123-91-1 {source="NIST Chemistry WebBook"} +xref: CAS:123-91-1 {source="KEGG COMPOUND"} +xref: DrugBank:DB03316 +xref: KEGG:C14440 +xref: LINCS:LSM-37087 +xref: PDBeChem:DIO +xref: PMID:14550759 {source="Europe PMC"} +xref: PMID:18044507 {source="Europe PMC"} +xref: PMID:20598439 {source="Europe PMC"} +xref: PPDB:1638 +xref: Reaxys:102551 {source="Reaxys"} +xref: Wikipedia:1\,4-Dioxane +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.10512" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCCO1" xsd:string + +[Term] +id: CHEBI:48236 +name: trichlorofluoromethane +namespace: chebi_ontology +def: "A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom." [] +subset: 3_STAR +synonym: "CFC-11" RELATED [ChemIDplus] +synonym: "Eskimon 11" RELATED [ChemIDplus] +synonym: "fluorochloroform" RELATED [ChemIDplus] +synonym: "fluorotrichloromethane" RELATED [NIST_Chemistry_WebBook] +synonym: "Freon 11" RELATED [ChemIDplus] +synonym: "monofluorotrichloromethane" RELATED [NIST_Chemistry_WebBook] +synonym: "R-11" RELATED [ChemIDplus] +synonym: "Refrigerant 11" RELATED [ChemIDplus] +synonym: "trichloro(fluoro)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "trichlorofluorocarbon" RELATED [ChemIDplus] +synonym: "trichlorofluoromethane" EXACT [ChemIDplus] +synonym: "trichloromonofluoromethane" RELATED [ChemIDplus] +xref: CAS:75-69-4 {source="ChemIDplus"} +xref: CAS:75-69-4 {source="NIST Chemistry WebBook"} +xref: PMID:1114326 {source="Europe PMC"} +xref: PMID:24189105 {source="Europe PMC"} +xref: PMID:5727092 {source="Europe PMC"} +xref: PMID:8006631 {source="Europe PMC"} +xref: Reaxys:1732469 {source="Reaxys"} +xref: Wikipedia:Trichlorofluoromethane +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002083 ! 19F spectrum chemical shift reference compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CCl3F" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CCl3F/c2-1(3,4)5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "137.36720" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.90496" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:48607 +name: lithium chloride +namespace: chebi_ontology +def: "A metal chloride salt with a Li(+) counterion." [] +subset: 3_STAR +synonym: "chlorure de lithium" RELATED [NIST_Chemistry_WebBook] +synonym: "cloruro de litio" RELATED [ChEBI] +synonym: "LiCl" RELATED [IUPAC] +synonym: "lithii chloridum" RELATED [ChEBI] +synonym: "lithium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Lithiumchlorid" RELATED [ChEBI] +xref: CAS:7447-41-8 {source="NIST Chemistry WebBook"} +xref: CAS:7447-41-8 {source="ChemIDplus"} +xref: PMID:21301855 {source="Europe PMC"} +xref: PMID:24398558 {source="Europe PMC"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002131 ! 7Li spectrum chemical shift reference compound +is_a: NMR:0002132 ! 6Li spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClLi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Li/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGKDLIKAYFUFQ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "42.39370" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98486" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+].[Cl-]" xsd:string + +[Term] +id: CHEBI:49696 +name: krypton atom +namespace: chebi_ontology +alt_id: CHEBI:33312 +subset: 3_STAR +synonym: "36Kr" RELATED [IUPAC] +synonym: "cripton" RELATED [ChEBI] +synonym: "Kr" RELATED [IUPAC] +synonym: "kripton" RELATED [ChEBI] +synonym: "krypton" EXACT IUPAC_NAME [IUPAC] +synonym: "krypton" RELATED [ChEBI] +xref: CAS:7439-90-9 {source="ChemIDplus"} +xref: CAS:7439-90-9 {source="NIST Chemistry WebBook"} +xref: WebElements:Kr +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002143 ! 83Kr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Kr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Kr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DNNSSWSSYDEUBZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "83.80000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.91150" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Kr]" xsd:string + +[Term] +id: CHEBI:51086 +name: chemical role +namespace: chebi_ontology +def: "A role played by the molecular entity or part thereof within a chemical context." [] +subset: 3_STAR +is_a: BFO:0000023 ! role + +[Term] +id: CHEBI:5115 +name: monofluorobenzene +namespace: chebi_ontology +def: "The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent." [] +subset: 3_STAR +synonym: "Fluorbenzol" RELATED [ChEBI] +synonym: "Fluorobenzene" RELATED [KEGG_COMPOUND] +synonym: "fluorobenzene" EXACT IUPAC_NAME [IUPAC] +synonym: "monofluorobenzene" EXACT [NIST_Chemistry_WebBook] +synonym: "phenyl fluoride" RELATED [NIST_Chemistry_WebBook] +xref: CAS:462-06-6 {source="NIST Chemistry WebBook"} +xref: CAS:462-06-6 {source="ChemIDplus"} +xref: CAS:462-06-6 {source="KEGG COMPOUND"} +xref: Gmelin:49856 {source="Gmelin"} +xref: KEGG:C11272 +xref: Patent:CN101224914 +xref: Patent:US4390740 +xref: PMID:22976426 {source="Europe PMC"} +xref: PMID:24060903 {source="Europe PMC"} +xref: Reaxys:1236623 {source="Reaxys"} +xref: Wikipedia:Fluorobenzene +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5F" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "96.10230" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.03753" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccccc1" xsd:string + +[Term] +id: CHEBI:52230 +name: tin-119 atom +namespace: chebi_ontology +def: "The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(119)50Sn" RELATED [IUPAC] +synonym: "(119)Sn" RELATED [IUPAC] +synonym: "tin-119" EXACT IUPAC_NAME [IUPAC] +synonym: "tin-119" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[119Sn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "118.903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.90331" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[119Sn]" xsd:string + +[Term] +id: CHEBI:52234 +name: tin-117 atom +namespace: chebi_ontology +def: "The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(117)50Sn" RELATED [IUPAC] +synonym: "(117)Sn" RELATED [IUPAC] +synonym: "tin-117" EXACT IUPAC_NAME [IUPAC] +synonym: "tin-117" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[117Sn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/i1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-YPZZEJLDSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "116.903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.90295" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[117Sn]" xsd:string + +[Term] +id: CHEBI:52235 +name: tin-115 atom +namespace: chebi_ontology +def: "The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(115)50Sn" RELATED [IUPAC] +synonym: "(115)Sn" RELATED [IUPAC] +synonym: "tin-115" EXACT IUPAC_NAME [IUPAC] +synonym: "tin-115" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[115Sn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/i1-4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-AHCXROLUSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "114.903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.90334" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[115Sn]" xsd:string + +[Term] +id: CHEBI:52452 +name: tellurium-125 atom +namespace: chebi_ontology +def: "The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(125)52Te" RELATED [IUPAC] +synonym: "(125)Te" RELATED [IUPAC] +synonym: "tellurium-125" EXACT IUPAC_NAME [IUPAC] +synonym: "tellurium-125" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[125Te]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Te/i1-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PORWMNRCUJJQNO-OIOBTWANSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "124.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.90443" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[125Te]" xsd:string + +[Term] +id: CHEBI:52453 +name: xenon-129 atom +namespace: chebi_ontology +def: "The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(129)54Xe" RELATED [IUPAC] +synonym: "(129)Xe" RELATED [IUPAC] +synonym: "xenon-129" EXACT IUPAC_NAME [IUPAC] +synonym: "xenon-129" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[129Xe]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Xe/i1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FHNFHKCVQCLJFQ-YPZZEJLDSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "128.905" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.90478" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[129Xe]" xsd:string + +[Term] +id: CHEBI:52457 +name: selenium-77 atom +namespace: chebi_ontology +def: "A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "((77)Se)selenium" EXACT IUPAC_NAME [IUPAC] +synonym: "(77)34Se" RELATED [IUPAC] +synonym: "(77)Se" RELATED [IUPAC] +synonym: "Se-77" RELATED [ChEBI] +synonym: "selenium, isotope of mass 77" RELATED [ChEBI] +synonym: "selenium-(77)Se" RELATED [ChEBI] +synonym: "selenium-77" RELATED [ChEBI] +xref: Chemspider:9507361 +xref: PMID:16158304 {source="Europe PMC"} +xref: PMID:23159557 {source="Europe PMC"} +xref: PMID:25848959 {source="Europe PMC"} +xref: PMID:25923042 {source="Europe PMC"} +xref: PMID:27129100 {source="Europe PMC"} +xref: PMID:30828921 {source="Europe PMC"} +xref: PMID:32453871 {source="Europe PMC"} +xref: PMID:34153173 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[77Se]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Se/i1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUGBHKTXTAQXES-YPZZEJLDSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "76.920" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.91991" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[77Se]" xsd:string + +[Term] +id: CHEBI:52458 +name: lithium-7 atom +namespace: chebi_ontology +def: "The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(7)3Li" RELATED [IUPAC] +synonym: "(7)Li" RELATED [IUPAC] +synonym: "lithium-7" EXACT IUPAC_NAME [IUPAC] +synonym: "lithium-7" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[7Li]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHXSMMKQMYFTQS-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "7.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "7.01600" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[7Li]" xsd:string + +[Term] +id: CHEBI:52459 +name: rubidium-87 atom +namespace: chebi_ontology +def: "The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(87)37Rb" RELATED [IUPAC] +synonym: "(87)Rb" RELATED [IUPAC] +synonym: "rubidium-87" EXACT IUPAC_NAME [IUPAC] +synonym: "rubidium-87" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[87Rb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rb/i1+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGLNJRXAVVLDKE-NJFSPNSNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "86.909" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.90918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[87Rb]" xsd:string + +[Term] +id: CHEBI:52460 +name: niobium-93 atom +namespace: chebi_ontology +def: "The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2." [] +subset: 3_STAR +synonym: "(93)41Nb" RELATED [IUPAC] +synonym: "(93)Nb" RELATED [IUPAC] +synonym: "niobium-93" EXACT IUPAC_NAME [IUPAC] +synonym: "niobium-93" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[93Nb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Nb/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUCVJGMIXFAOAE-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "92.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.90637" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[93Nb]" xsd:string + +[Term] +id: CHEBI:52462 +name: tungsten-183 +namespace: chebi_ontology +def: "The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(183)74W" RELATED [IUPAC] +synonym: "(183)W" RELATED [IUPAC] +synonym: "tungsten-183" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[183W]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/W/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WFKWXMTUELFFGS-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "182.950" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.95022" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[183W]" xsd:string + +[Term] +id: CHEBI:52619 +name: cadmium-111 +namespace: chebi_ontology +def: "The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(111)48Cd" RELATED [IUPAC] +synonym: "(111)Cd" RELATED [IUPAC] +synonym: "cadmium-111" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[111Cd]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cd/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDOSMKKIYDKNTQ-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "110.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.90418" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[111Cd]" xsd:string + +[Term] +id: CHEBI:52620 +name: cadmium-113 +namespace: chebi_ontology +def: "The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(113)48Cd" RELATED [IUPAC] +synonym: "(113)Cd" RELATED [IUPAC] +synonym: "cadmium-113" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[113Cd]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cd/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDOSMKKIYDKNTQ-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "112.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.90441" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[113Cd]" xsd:string + +[Term] +id: CHEBI:52621 +name: lithium-6 atom +namespace: chebi_ontology +def: "The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1." [] +subset: 3_STAR +synonym: "(6)3Li" RELATED [IUPAC] +synonym: "(6)Li" RELATED [IUPAC] +synonym: "lithium-6" EXACT IUPAC_NAME [IUPAC] +synonym: "lithium-6" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[6Li]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHXSMMKQMYFTQS-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "6.015" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "6.01512" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[6Li]" xsd:string + +[Term] +id: CHEBI:52622 +name: yttrium-89 atom +namespace: chebi_ontology +def: "The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(89)39Y" RELATED [IUPAC] +synonym: "(89)Y" RELATED [IUPAC] +synonym: "yttrium-89" EXACT IUPAC_NAME [IUPAC] +synonym: "yttrium-89" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[89Y]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Y/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWQVUPCCIRVNHF-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.90584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[89Y]" xsd:string + +[Term] +id: CHEBI:52623 +name: iron-57 atom +namespace: chebi_ontology +def: "The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(57)26Fe" RELATED [IUPAC] +synonym: "(57)Fe" RELATED [IUPAC] +synonym: "iron-57" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[57Fe]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEEYBQQBJWHFJM-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "56.935" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.93539" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[57Fe]" xsd:string + +[Term] +id: CHEBI:52624 +name: antimony-121 atom +namespace: chebi_ontology +def: "The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(121)51Sb" RELATED [IUPAC] +synonym: "(121)Sb" RELATED [IUPAC] +synonym: "antimony-121" EXACT IUPAC_NAME [IUPAC] +synonym: "antimony-121" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[121Sb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WATWJIUSRGPENY-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "120.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.90381" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[121Sb]" xsd:string + +[Term] +id: CHEBI:52626 +name: antimony-123 atom +namespace: chebi_ontology +def: "The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "(123)51Sb" RELATED [IUPAC] +synonym: "(123)Sb" RELATED [IUPAC] +synonym: "antimony-123" EXACT IUPAC_NAME [IUPAC] +synonym: "antimony-123" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[123Sb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WATWJIUSRGPENY-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "122.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.90421" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[123Sb]" xsd:string + +[Term] +id: CHEBI:52627 +name: lanthanum-139 atom +namespace: chebi_ontology +def: "The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "(139)57La" RELATED [IUPAC] +synonym: "(139)La" RELATED [IUPAC] +synonym: "lanthanum-139" EXACT IUPAC_NAME [IUPAC] +synonym: "lanthanum-139" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[139La]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/La/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZLIPJUXYLNCLC-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "138.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.90636" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[139La]" xsd:string + +[Term] +id: CHEBI:52631 +name: iodine-127 atom +namespace: chebi_ontology +def: "The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(127)53I" RELATED [IUPAC] +synonym: "(127)I" RELATED [IUPAC] +synonym: "iodine-127" EXACT IUPAC_NAME [IUPAC] +synonym: "iodine-127" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[127I]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/I/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCYVEMRRCGMTRW-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "126.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90447" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[127I]" xsd:string + +[Term] +id: CHEBI:52632 +name: potassium-39 atom +namespace: chebi_ontology +def: "The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(39)19K" RELATED [IUPAC] +synonym: "(39)K" RELATED [IUPAC] +synonym: "potassium-39" EXACT IUPAC_NAME [IUPAC] +synonym: "potassium-39" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[39K]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLMJMSJWJFRBEC-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "38.964" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96371" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[39K]" xsd:string + +[Term] +id: CHEBI:52633 +name: molybdenum-95 +namespace: chebi_ontology +def: "The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(95)42Mo" RELATED [IUPAC] +synonym: "(95)Mo" RELATED [IUPAC] +synonym: "molybdenum-95" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[95Mo]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOKXTWBITQBERF-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "94.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.90584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[95Mo]" xsd:string + +[Term] +id: CHEBI:52634 +name: sodium-23 atom +namespace: chebi_ontology +def: "The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(23)11Na" RELATED [IUPAC] +synonym: "(23)Na" RELATED [IUPAC] +synonym: "sodium-23" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium-23" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[23Na]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEAYESYHFKHZAL-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "22.990" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98977" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[23Na]" xsd:string + +[Term] +id: CHEBI:52635 +name: scandium-45 atom +namespace: chebi_ontology +def: "The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "(45)21Sc" RELATED [IUPAC] +synonym: "(45)Sc" RELATED [IUPAC] +synonym: "scandium-45" EXACT IUPAC_NAME [IUPAC] +synonym: "scandium-45" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[45Sc]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sc/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SIXSYDAISGFNSX-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "44.956" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.95591" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[45Sc]" xsd:string + +[Term] +id: CHEBI:52743 +name: bromine-79 atom +namespace: chebi_ontology +def: "The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(79)35Br" RELATED [IUPAC] +synonym: "(79)Br" RELATED [IUPAC] +synonym: "bromine-79" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[79Br]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Br/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WKBOTKDWSSQWDR-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "78.918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[79Br]" xsd:string + +[Term] +id: CHEBI:52758 +name: germanium-73 atom +namespace: chebi_ontology +def: "The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2." [] +subset: 3_STAR +synonym: "(73)32Ge" RELATED [IUPAC] +synonym: "(73)Ge" RELATED [IUPAC] +synonym: "germanium-73" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[73Ge]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ge/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GNPVGFCGXDBREM-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "72.923" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.92346" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[73Ge]" xsd:string + +[Term] +id: CHEBI:52763 +name: magnesium-25 atom +namespace: chebi_ontology +def: "The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(25)12Mg" RELATED [IUPAC] +synonym: "(25)Mg" RELATED [IUPAC] +synonym: "magnesium-25" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[25Mg]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mg/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYYHWMGAXLPEAU-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "24.986" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "24.98584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[25Mg]" xsd:string + +[Term] +id: CHEBI:53473 +name: beryllium sulfate +namespace: chebi_ontology +def: "A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1." [] +subset: 3_STAR +synonym: "Beryllium sulfate" EXACT [ChemIDplus] +synonym: "beryllium sulfate" EXACT IUPAC_NAME [IUPAC] +synonym: "Beryllium sulphate" RELATED [ChemIDplus] +synonym: "beryllium(II) sulfate" RELATED [ChEBI] +synonym: "BeSO4" RELATED [NIST_Chemistry_WebBook] +xref: CAS:13510-49-1 {source="ChemIDplus"} +xref: CAS:13510-49-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:8296 {source="Gmelin"} +xref: Patent:US4316840 +xref: Patent:US4394524 +xref: Patent:US5436364 +xref: PMID:11207315 {source="Europe PMC"} +xref: PMID:11423174 {source="Europe PMC"} +xref: PMID:11678613 {source="Europe PMC"} +xref: PMID:11897645 {source="Europe PMC"} +xref: PMID:16951350 {source="Europe PMC"} +xref: PMID:18250483 {source="Europe PMC"} +xref: PMID:18768897 {source="Europe PMC"} +xref: PMID:20549306 {source="Europe PMC"} +xref: PMID:2179717 {source="Europe PMC"} +xref: PMID:2469014 {source="Europe PMC"} +xref: PMID:2930060 {source="Europe PMC"} +xref: PMID:2954196 {source="Europe PMC"} +xref: PMID:3498695 {source="Europe PMC"} +xref: PMID:3764912 {source="Europe PMC"} +xref: PMID:3824419 {source="Europe PMC"} +xref: PMID:7122994 {source="Europe PMC"} +xref: PMID:8991630 {source="Europe PMC"} +xref: Reaxys:13316867 {source="Reaxys"} +xref: Wikipedia:Beryllium_sulfate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002130 ! 9Be spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BeO4S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KQHXBDOEECKORE-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "105.07500" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.96391" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Be++].[O-]S([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:55317 +name: tetramethylammonium bromide +namespace: chebi_ontology +def: "The bromide salt of tetramethylammonium." [] +subset: 3_STAR +synonym: "N,N,N-trimethylmethanaminium bromide" EXACT IUPAC_NAME [IUPAC] +synonym: "TMAB" RELATED [NIST_Chemistry_WebBook] +xref: CAS:64-20-0 {source="ChemIDplus"} +xref: CAS:64-20-0 {source="NIST Chemistry WebBook"} +xref: PMID:24804652 {source="Europe PMC"} +xref: PMID:6196640 {source="Europe PMC"} +xref: Reaxys:3620955 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12BrN" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DDFYFBUWEBINLX-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "154.04900" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.01531" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Br-].C[N+](C)(C)C" xsd:string + +[Term] +id: CHEBI:59606 +name: sodium hexachloroplatinate +namespace: chebi_ontology +def: "An inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-) anions." [] +subset: 3_STAR +synonym: "Disodium hexachloroplatinate" RELATED [ChemIDplus] +synonym: "sodium hexachloridoplatinate(2-)" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium hexachloridoplatinate(IV)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:16923-58-3 {source="ChemIDplus"} +xref: PMID:2936374 {source="Europe PMC"} +xref: PMID:6541706 {source="Europe PMC"} +xref: Reaxys:11322243 {source="Reaxys"} +xref: Wikipedia:Sodium_hexachloroplatinate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002101 ! 195Pt spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Na2Pt" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGFSULIVEYGQQY-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "453.78200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "450.75745" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:59999 +name: chemical substance +namespace: chebi_ontology +def: "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." [] +subset: 3_STAR +synonym: "Chemische Substanz" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity + +[Term] +id: CHEBI:62946 +name: ammonium sulfate +namespace: chebi_ontology +def: "An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils." [] +subset: 3_STAR +synonym: "(NH4)2SO4" RELATED [ChEBI] +synonym: "ammonium sulfate (2:1)" RELATED [ChemIDplus] +synonym: "ammonium sulphate" RELATED [SUBMITTER] +synonym: "diammonium sulfate" RELATED [IUPAC] +synonym: "diazanium sulfate" EXACT IUPAC_NAME [IUPAC] +synonym: "mascagnite" RELATED [ChemIDplus] +synonym: "sulfuric acid ammonium salt (1:2)" RELATED [ChemIDplus] +synonym: "sulfuric acid, diammonium salt" RELATED [ChemIDplus] +synonym: "sulphate of ammonia" RELATED [ChEBI] +xref: CAS:7783-20-2 {source="KEGG DRUG"} +xref: CAS:7783-20-2 {source="ChemIDplus"} +xref: KEGG:D08853 +xref: MetaCyc:NH42SO4 +xref: PMID:20556652 {source="Europe PMC"} +xref: PPDB:36 +xref: Reaxys:11343144 {source="Reaxys"} +xref: Wikipedia:Ammonium_sulfate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1400033 ! chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H8N2O4S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFNBIHQBYMNNAN-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "132.14000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.02048" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH4+].[NH4+].[O-]S([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:63004 +name: sodium bromide +namespace: chebi_ontology +def: "An inorganic sodium salt having bromide as the counterion." [] +subset: 3_STAR +synonym: "Bromide salt of sodium" RELATED [ChemIDplus] +synonym: "Bromnatrium" RELATED [ChemIDplus] +synonym: "NaBr" RELATED [SUBMITTER] +synonym: "Trisodium tribromide" RELATED [ChemIDplus] +xref: CAS:7647-15-6 {source="ChemIDplus"} +xref: CAS:7647-15-6 {source="NIST Chemistry WebBook"} +xref: Wikipedia:Sodium_bromide +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002141 ! 79Br spectrum chemical shift reference compound +is_a: NMR:0002142 ! 81Br spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BrNa" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH.Na/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JHJLBTNAGRQEKS-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "102.89400" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.90811" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Br-]" xsd:string + +[Term] +id: CHEBI:63005 +name: sodium nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of sodium." [] +subset: 3_STAR +synonym: "Chile saltpeter" RELATED [SUBMITTER] +synonym: "Cubic niter" RELATED [ChemIDplus] +synonym: "Niter" RELATED [ChemIDplus] +synonym: "Nitrate de sodium" RELATED [ChemIDplus] +synonym: "Nitrate of soda" RELATED [SUBMITTER] +synonym: "Nitrate of soda" RELATED [ChemIDplus] +synonym: "Nitric acid monosodium salt" RELATED [ChemIDplus] +synonym: "Nitric acid sodium salt (1:1)" RELATED [ChemIDplus] +synonym: "Nitric acid, sodium salt" RELATED [ChemIDplus] +synonym: "sodium nitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "Sodium saltpeter" RELATED [ChemIDplus] +synonym: "sodium trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "Sodium(I) nitrate (1:1)" RELATED [ChemIDplus] +xref: CAS:7631-99-4 {source="ChemIDplus"} +xref: Reaxys:11343077 {source="Reaxys"} +xref: Wikipedia:Sodium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NNaO3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWDWKYIASSYTQR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.99470" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.97759" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:63317 +name: barium chloride +namespace: chebi_ontology +def: "The inorganic dichloride salt of barium." [] +subset: 3_STAR +synonym: "BaCl2" RELATED [MetaCyc] +synonym: "barium dichloride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:10361-37-2 {source="ChemIDplus"} +xref: CAS:10361-37-2 {source="NIST Chemistry WebBook"} +xref: MetaCyc:CPD0-1592 +xref: PMID:21601246 {source="Europe PMC"} +xref: Reaxys:1209229 {source="Reaxys"} +xref: Reaxys:8128158 {source="Reaxys"} +xref: Wikipedia:Barium_chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002161 ! 135Ba spectrum chemical shift reference compound +is_a: NMR:0002162 ! 137Ba spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BaCl2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WDIHJSXYQDMJHN-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "208.23300" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.84295" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Ba++]" xsd:string + +[Term] +id: CHEBI:63940 +name: sodium tungstate +namespace: chebi_ontology +def: "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones." [] +subset: 3_STAR +synonym: "Disodium tetraoxotungstate" RELATED [ChemIDplus] +synonym: "Disodium tungstate" RELATED [ChemIDplus] +synonym: "Na2WO4" RELATED [ChEBI] +synonym: "sodium tetraoxotungstate(VI)" RELATED [ChEBI] +synonym: "Sodium tungstate(VI)" RELATED [ChemIDplus] +synonym: "Sodium tungsten oxide" RELATED [ChemIDplus] +synonym: "Sodium wolframate" RELATED [ChemIDplus] +synonym: "Tungstic acid, disodium salt" RELATED [ChemIDplus] +xref: CAS:13472-45-2 {source="ChemIDplus"} +xref: Reaxys:11343345 {source="Reaxys"} +xref: Wikipedia:Sodium_tungstate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002099 ! 183W spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Na2O4W" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Na.4O.W/q2*+1;;;2*-1;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMVONEAAOPAGAO-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "293.82000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.91013" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-][W]([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:6636 +name: magnesium dichloride +namespace: chebi_ontology +def: "A magnesium salt comprising of two chlorine atoms bound to a magnesium atom." [] +subset: 3_STAR +synonym: "[MgCl2]" RELATED [MolBase] +synonym: "Magnesium chloride" RELATED [KEGG_COMPOUND] +synonym: "Magnesium chloride anhydrous" RELATED [KEGG_COMPOUND] +synonym: "magnesium dichloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Magnesiumchlorid" RELATED [ChEBI] +synonym: "MgCl2" RELATED [IUPAC] +xref: CAS:7786-30-3 {source="KEGG COMPOUND"} +xref: CAS:7786-30-3 {source="ChemIDplus"} +xref: CAS:7786-30-3 {source="NIST Chemistry WebBook"} +xref: Gmelin:9305 {source="Gmelin"} +xref: KEGG:C07755 +xref: MolBase:1868 +xref: Reaxys:8128169 {source="Reaxys"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:1400033 ! chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Mg" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWRXJAOTZQYOKJ-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "95.21040" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.92275" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg++].[Cl-].[Cl-]" xsd:string + +[Term] +id: CHEBI:66872 +name: potassium fluoride +namespace: chebi_ontology +def: "A fluoride salt having K+ as the counterion." [] +subset: 3_STAR +synonym: "Fluorure de potassium" RELATED [ChemIDplus] +synonym: "potassium fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "Potassium fluorure" RELATED [ChemIDplus] +xref: CAS:7789-23-3 {source="ChemIDplus"} +xref: CAS:7789-23-3 {source="NIST Chemistry WebBook"} +xref: PMID:21412559 {source="Europe PMC"} +xref: PMID:21486073 {source="Europe PMC"} +xref: PMID:21636316 {source="Europe PMC"} +xref: PMID:21863787 {source="Europe PMC"} +xref: PMID:22013284 {source="Europe PMC"} +xref: PMID:22169214 {source="Europe PMC"} +xref: PMID:22359362 {source="Europe PMC"} +xref: PMID:22700337 {source="Europe PMC"} +xref: PMID:22721409 {source="Europe PMC"} +xref: PMID:22777777 {source="Europe PMC"} +xref: Reaxys:11339017 {source="Reaxys"} +xref: Reaxys:3902818 {source="Reaxys"} +xref: Wikipedia:Potassium_fluoride +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "FK" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH.K/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NROKBHXJSPEDAR-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "58.09670" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.96211" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-].[K+]" xsd:string + +[Term] +id: CHEBI:67137 +name: NMR shift reagent +namespace: chebi_ontology +def: "In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra." [] +subset: 3_STAR +synonym: "lanthanide shift reagent" RELATED [ChEBI] +synonym: "lanthanide shift reagents" RELATED [ChEBI] +synonym: "NMR shift reagents" RELATED [ChEBI] +synonym: "nuclear magnetic resonance shift reagent" RELATED [ChEBI] +synonym: "nuclear magnetic resonance shift reagents" RELATED [ChEBI] +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:75215 +name: sodium molybdate (anhydrous) +namespace: chebi_ontology +def: "An inorganic sodium salt having molybdate as the counterion." [] +subset: 3_STAR +synonym: "Disodium molybdate" RELATED [ChemIDplus] +synonym: "disodium tetraoxomolybdate" RELATED [ChEBI] +synonym: "Molybdic acid, disodium salt" RELATED [ChemIDplus] +synonym: "Na2MoO4" RELATED [ChEBI] +synonym: "Natriummolybdat" RELATED [ChemIDplus] +synonym: "sodium dioxido(dioxo)molybdenum" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium molybdate" RELATED [ChEBI] +synonym: "sodium molybdate (anh.)" RELATED [ChEBI] +synonym: "Sodium molybdate(VI)" RELATED [KEGG_COMPOUND] +synonym: "sodium orthomolybdate" RELATED [ChEBI] +xref: CAS:7631-95-0 {source="ChemIDplus"} +xref: CAS:7631-95-0 {source="NIST Chemistry WebBook"} +xref: CAS:7631-95-0 {source="KEGG COMPOUND"} +xref: KEGG:C15455 +xref: Reaxys:11323078 {source="Reaxys"} +xref: Wikipedia:Sodium_molybdate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002148 ! 95Mo spectrum chemical shift reference compound +is_a: NMR:0002149 ! 97Mo spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "MoNa2O4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVXXNOYZHKPKGW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "205.92000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.86460" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-][Mo]([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:75249 +name: potassium chromate +namespace: chebi_ontology +def: "A potassium salt consisting of potassium and chromate ions in a 2:1 ratio." [] +subset: 3_STAR +synonym: "Bipotassium chromate" RELATED [ChemIDplus] +synonym: "Chromic acid, dipotassium salt" RELATED [ChemIDplus] +synonym: "Dipotassium chromate" RELATED [ChemIDplus] +synonym: "dipotassium dioxido(dioxo)chromium" EXACT IUPAC_NAME [IUPAC] +synonym: "Dipotassium monochromate" RELATED [ChemIDplus] +synonym: "Potassium chromate" EXACT [ChemIDplus] +synonym: "Potassium chromate(VI)" RELATED [ChemIDplus] +xref: CAS:7789-00-6 {source="ChemIDplus"} +xref: PMID:1372703 {source="Europe PMC"} +xref: PMID:1858300 {source="Europe PMC"} +xref: PMID:1897900 {source="Europe PMC"} +xref: PMID:19577443 {source="Europe PMC"} +xref: PMID:19839488 {source="Europe PMC"} +xref: PMID:3947421 {source="Europe PMC"} +xref: PMID:6771085 {source="Europe PMC"} +xref: PMID:7073801 {source="Europe PMC"} +xref: PMID:7395526 {source="Europe PMC"} +xref: PMID:8692229 {source="Europe PMC"} +xref: Reaxys:11343356 {source="Reaxys"} +xref: Wikipedia:Potassium_chromate +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002108 ! 53Cr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CrK2O4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMXNVYPJWBTAHN-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "194.19030" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.84758" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[K+].[O-][Cr]([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:76107 +name: deuterated compound +namespace: chebi_ontology +def: "Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium." [] +subset: 3_STAR +synonym: "(2)H-labeled compound" RELATED [ChEBI] +synonym: "(2)H-labeled compounds" RELATED [ChEBI] +synonym: "(2)H-labelled compound" RELATED [ChEBI] +synonym: "(2)H-labelled compounds" RELATED [ChEBI] +synonym: "deuterated compounds" RELATED [ChEBI] +synonym: "deuterium-labeled compound" RELATED [ChEBI] +synonym: "deuterium-labeled compounds" RELATED [ChEBI] +synonym: "deuterium-labelled compound" RELATED [ChEBI] +synonym: "deuterium-labelled compounds" RELATED [ChEBI] +is_a: CHEBI:139358 ! isotopically modified compound + +[Term] +id: CHEBI:77701 +name: nitromethane +namespace: chebi_ontology +def: "A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models." [] +subset: 3_STAR +synonym: "CH3NO2" RELATED [ChEBI] +synonym: "MeNO2" RELATED [ChEBI] +synonym: "nitromethane" EXACT IUPAC_NAME [IUPAC] +xref: CAS:75-52-5 {source="ChemIDplus"} +xref: CAS:75-52-5 {source="NIST Chemistry WebBook"} +xref: CAS:75-52-5 {source="KEGG COMPOUND"} +xref: KEGG:C19275 +xref: MetaCyc:CPD-8133 +xref: PMID:11100413 {source="Europe PMC"} +xref: PMID:21860501 {source="Europe PMC"} +xref: PMID:26735907 {source="Europe PMC"} +xref: PMID:26800205 {source="Europe PMC"} +xref: PMID:4207867 {source="Europe PMC"} +xref: PMID:999282 {source="Europe PMC"} +xref: Reaxys:1698205 {source="Reaxys"} +xref: Wikipedia:Nitromethane +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002126 ! 14N spectrum chemical shift reference compound +is_a: NMR:1000036 ! 15N spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LYGJENNIWJXYER-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "61.04000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01638" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:78217 +name: acetone d6 +namespace: chebi_ontology +def: "A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium." [] +subset: 3_STAR +synonym: "((2)H6)propan-2-one" EXACT IUPAC_NAME [IUPAC] +synonym: "(2H6)Acetone" RELATED [ChemIDplus] +synonym: "(CD3)2CO" RELATED [NIST_Chemistry_WebBook] +synonym: "2-Propanone-1,1,1,3,3,3-D6" RELATED [NIST_Chemistry_WebBook] +synonym: "Acetone-d6" RELATED [ChemIDplus] +synonym: "hexadeuteroacetone" RELATED [ChEBI] +synonym: "Perdeuteroacetone" RELATED [NIST_Chemistry_WebBook] +xref: CAS:666-52-4 {source="NIST Chemistry WebBook"} +xref: CAS:666-52-4 {source="ChemIDplus"} +xref: Reaxys:1702935 {source="Reaxys"} +xref: Wikipedia:Deuterated_acetone +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3D6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CSCPPACGZOOCGX-WFGJKAKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.117" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.07953" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:78672 +name: rubidium chloride +namespace: chebi_ontology +def: "An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio." [] +subset: 3_STAR +synonym: "rubidium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Rubidium monochloride" RELATED [ChemIDplus] +xref: CAS:7791-11-9 {source="NIST Chemistry WebBook"} +xref: CAS:7791-11-9 {source="ChemIDplus"} +xref: PMID:108740 {source="Europe PMC"} +xref: PMID:1159626 {source="Europe PMC"} +xref: PMID:1748232 {source="Europe PMC"} +xref: PMID:2010564 {source="Europe PMC"} +xref: PMID:3311597 {source="Europe PMC"} +xref: PMID:3379141 {source="Europe PMC"} +xref: PMID:349155 {source="Europe PMC"} +xref: PMID:5436089 {source="Europe PMC"} +xref: PMID:5561654 {source="Europe PMC"} +xref: PMID:6206870 {source="Europe PMC"} +xref: PMID:6705481 {source="Europe PMC"} +xref: PMID:690649 {source="Europe PMC"} +xref: PMID:8412574 {source="Europe PMC"} +xref: PMID:8926857 {source="Europe PMC"} +xref: Reaxys:3534980 {source="Reaxys"} +xref: Reaxys:9321247 {source="Reaxys"} +xref: Wikipedia:Rubidium_chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002144 ! 85Rb spectrum chemical shift reference compound +is_a: NMR:0002145 ! 87Rb spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClRb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Rb/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FGDZQCVHDSGLHJ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "120.92100" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.88064" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Rb+]" xsd:string + +[Term] +id: CHEBI:8346 +name: potassium iodide +namespace: chebi_ontology +def: "A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals." [] +subset: 3_STAR +synonym: "Kaliumiodid" RELATED [ChEBI] +synonym: "KI" RELATED [IUPAC] +synonym: "Potassium iodide" EXACT [KEGG_COMPOUND] +synonym: "potassium iodide" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7681-11-0 {source="ChemIDplus"} +xref: CAS:7681-11-0 {source="NIST Chemistry WebBook"} +xref: CAS:7681-11-0 {source="KEGG COMPOUND"} +xref: KEGG:C08219 +xref: KEGG:D01016 +xref: PMID:11004629 {source="Europe PMC"} +xref: PMID:15206581 {source="Europe PMC"} +xref: PMID:23475155 {source="Europe PMC"} +xref: PMID:23793210 {source="Europe PMC"} +xref: PMID:24044784 {source="Europe PMC"} +xref: PMID:24635765 {source="Europe PMC"} +xref: PPDB:1529 +xref: Wikipedia:Potassium_Iodide +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002158 ! 127I spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "IK" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "K.I" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HI.K/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLKNQRATVPKPDG-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "166.00277" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.86818" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[I-]" xsd:string + +[Term] +id: CHEBI:85361 +name: tetramethylsilane +namespace: chebi_ontology +def: "An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups." [] +subset: 3_STAR +synonym: "(CH3)4Si" RELATED [NIST_Chemistry_WebBook] +synonym: "Me4Si" RELATED [ChEBI] +synonym: "Si(CH3)4" RELATED [NIST_Chemistry_WebBook] +synonym: "SiMe4" RELATED [ChEBI] +synonym: "Tetramethyl silane" RELATED [ChemIDplus] +synonym: "tetramethylsilane" EXACT IUPAC_NAME [IUPAC] +synonym: "Tetramethylsilicane" RELATED [ChemIDplus] +synonym: "TMS" RELATED [SUBMITTER] +xref: CAS:75-76-3 {source="NIST Chemistry WebBook"} +xref: CAS:75-76-3 {source="ChemIDplus"} +xref: Reaxys:1696908 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002008 ! 3H spectrum chemical shift reference compound +is_a: NMR:0002084 ! 29Si spectrum chemical shift reference compound +is_a: NMR:1000026 ! 1H spectrum chemical shift reference compound +is_a: NMR:1000030 ! 13C spectrum chemical shift reference compound +is_a: NMR:1000431 ! 2H spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZDYPVPMEAXLPK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.22360" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.07083" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](C)(C)C" xsd:string + +[Term] +id: CHEBI:85362 +name: 3-(trimethylsilyl)propane-1-sulfonic acid +namespace: chebi_ontology +def: "An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group." [] +subset: 3_STAR +synonym: "2,2-dimethyl-2-silapentane-5-sulfonic acid" RELATED [ChEBI] +synonym: "3-(trimethylsilyl)propane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] +synonym: "4,4-dimethyl-4-silapentane-1-sulfonic acid" RELATED [ChEBI] +synonym: "DSS" RELATED [SUBMITTER] +xref: CAS:18173-90-5 {source="ChemIDplus"} +xref: Reaxys:1860132 {source="Reaxys"} +xref: Wikipedia:DSS_(NMR_standard) +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000026 ! 1H spectrum chemical shift reference compound +is_a: NMR:1000030 ! 13C spectrum chemical shift reference compound +is_a: NMR:1000431 ! 2H spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16O3SSi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "196.340" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.05894" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](CCCS(O)(=O)=O)(C)C" xsd:string + +[Term] +id: CHEBI:85363 +name: sodium 3-(trimethylsilyl)propionate +namespace: chebi_ontology +def: "An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." [] +subset: 3_STAR +synonym: "sodium 3-(trimethylsilyl)propanoate" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium trimethylsilylpropanoate" RELATED [ChEBI] +synonym: "sodium trimethylsilylpropionate" RELATED [ChEBI] +synonym: "TMSP" RELATED [SUBMITTER] +synonym: "TSP" RELATED [SUBMITTER] +xref: CAS:37013-20-0 {source="ChemIDplus"} +xref: Reaxys:4021529 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NaO2Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OIIWPAYIXDCDNL-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "168.24150" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.05825" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].C[Si](C)(C)CCC([O-])=O" xsd:string + +[Term] +id: CHEBI:85364 +name: ammonium bromide +namespace: chebi_ontology +def: "An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio." [] +subset: 3_STAR +synonym: "NH4Br" RELATED [ChEBI] +xref: CAS:12124-97-9 {source="NIST Chemistry WebBook"} +xref: CAS:12124-97-9 {source="ChemIDplus"} +xref: Reaxys:13202152 {source="Reaxys"} +xref: Wikipedia:Ammonium_bromide +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BrH4N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH.H3N/h1H;1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWLVFNYSXGMGBS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "97.94200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.95271" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH4+].[Br-]" xsd:string + +[Term] +id: CHEBI:85365 +name: deuterated chloroform +namespace: chebi_ontology +def: "A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy." [] +subset: 3_STAR +synonym: "(2H)Chloroform" RELATED [ChemIDplus] +synonym: "CDCl3" RELATED [SUBMITTER] +synonym: "Chloroform-D" RELATED [ChemIDplus] +synonym: "deuterochloroform" RELATED [ChEBI] +synonym: "trichloro((2)H)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "Trichloromethane-d" RELATED [NIST_Chemistry_WebBook] +synonym: "Trichloromethane-d1" RELATED [NIST_Chemistry_WebBook] +xref: CAS:865-49-6 {source="ChemIDplus"} +xref: CAS:865-49-6 {source="NIST Chemistry WebBook"} +xref: PMID:29864274 {source="Europe PMC"} +xref: PMID:32562503 {source="Europe PMC"} +xref: Reaxys:1697633 {source="Reaxys"} +xref: Wikipedia:Deuterated_chloroform +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CDCl3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHCl3/c2-1(3)4/h1H/i1D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEDRZPFGACZZDS-MICDWDOJSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "120.380" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.92066" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]C(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:85487 +name: 3-(trimethylsilyl)propionic acid +namespace: chebi_ontology +def: "An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." [] +subset: 3_STAR +synonym: "3-(trimethylsilyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] +synonym: "3-trimethylsilylpropanoic acid" RELATED [ChEBI] +synonym: "3-trimethylsilylpropionic acid" RELATED [ChEBI] +synonym: "TMSP" RELATED [ChEBI] +synonym: "TSP" RELATED [ChEBI] +xref: CAS:5683-30-7 {source="ChemIDplus"} +xref: Reaxys:1747261 {source="Reaxys"} +xref: Wikipedia:Trimethylsilyl_propanoic_acid +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O2Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NONFLFDSOSZQHR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.25970" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.07631" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](C)(C)CCC(O)=O" xsd:string + +[Term] +id: CHEBI:88215 +name: osmium tetroxide +namespace: chebi_ontology +def: "An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds." [] +subset: 3_STAR +synonym: "Osmic acid" RELATED [ChemIDplus] +synonym: "Osmic acid anhydride" RELATED [ChemIDplus] +synonym: "Osmium oxide" RELATED [ChemIDplus] +synonym: "Osmium tetraoxide" RELATED [ChemIDplus] +synonym: "Perosmic acid anhydride" RELATED [ChemIDplus] +synonym: "Perosmic oxide" RELATED [ChemIDplus] +synonym: "tetraoxoosmium" EXACT IUPAC_NAME [IUPAC] +xref: CAS:20816-12-0 {source="NIST Chemistry WebBook"} +xref: CAS:20816-12-0 {source="ChemIDplus"} +xref: PMID:12530969 {source="Europe PMC"} +xref: PMID:23975065 {source="Europe PMC"} +xref: PMID:25871651 {source="Europe PMC"} +xref: Reaxys:11406415 {source="Reaxys"} +xref: Wikipedia:Osmium_tetroxide +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002100 ! 187Os spectrum chemical shift reference compound +is_a: NMR:0002170 ! 189Os spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Os" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4O.Os" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "254.222" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.94114" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Os](=O)(=O)=O" xsd:string + +[Term] +id: IAO:0000005 +name: objective specification +def: "A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved." [] +is_a: IAO:0000033 ! directive information entity +property_value: IAO:0000111 "objective specification" xsd:string +property_value: IAO:0000112 "In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction." xsd:string +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000116 "2009-03-16: original definition when imported from OBI read: \"objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed.\"" xsd:string +property_value: IAO:0000116 "2014-03-31: In the example of usage (\"In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction\") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that." xsd:string +property_value: IAO:0000116 "Answers the question, why did you do this experiment?" xsd:string +property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string +property_value: IAO:0000117 "PERSON: Barry Smith" xsd:string +property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string +property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string +property_value: IAO:0000118 "goal specification" xsd:string +property_value: IAO:0000119 "OBI Plan and Planned Process/Roles Branch" xsd:string +property_value: IAO:0000119 "OBI_0000217" xsd:string + +[Term] +id: IAO:0000007 +name: action specification +def: "A directive information entity that describes an action the bearer will take." [] +is_a: IAO:0000033 ! directive information entity +property_value: IAO:0000112 "Pour the contents of flask 1 into flask 2" xsd:string +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000117 "Alan Ruttenberg" xsd:string +property_value: IAO:0000119 "OBI Plan and Planned Process branch" xsd:string [Term] id: IAO:0000027 @@ -662,6 +5119,20 @@ property_value: IAO:0000116 "information_content_entity 'is_encoded_in' some dig property_value: IAO:0000117 "PERSON: Chris Stoeckert" xsd:string property_value: IAO:0000119 "OBI_0000142" xsd:string +[Term] +id: IAO:0000033 +name: directive information entity +def: "An information content entity whose concretizations indicate to their bearer how to realize them in a process." [] +is_a: IAO:0000030 ! information content entity +relationship: IAO:0000136 BFO:0000017 ! is about realizable entity +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000116 "2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was \"is the specification of a process that can be concretized and realized by an actor\" with alternative term \"instruction\".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term." xsd:string +property_value: IAO:0000116 "2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it." xsd:string +property_value: IAO:0000116 "8/6/2009 Alan Ruttenberg: Changed label from \"information entity about a realizable\" after discussions at ICBO" xsd:string +property_value: IAO:0000116 "Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan" xsd:string +property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string +property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string + [Term] id: IAO:0000078 name: curation status specification @@ -682,6 +5153,36 @@ is_a: IAO:0000027 ! data item property_value: IAO:0000111 "data about an ontology part" xsd:string property_value: IAO:0000117 "Person:Alan Ruttenberg" xsd:string +[Term] +id: IAO:0000104 +name: plan specification +def: "A directive information entity with action specifications and objective specifications as parts, and that may be concretized as a realizable entity that, if realized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified." [] +comment: 2/3/2009 Comment from OBI review.\n\nAction specification not well enough specified.\nConditional specification not well enough specified.\nQuestion whether all plan specifications have objective specifications.\n\nRequest that IAO either clarify these or change definitions not to use them +is_a: IAO:0000033 ! directive information entity +relationship: has_part IAO:0000005 ! objective specification +relationship: has_part IAO:0000007 ! action specification +property_value: IAO:0000111 "plan specification" xsd:string +property_value: IAO:0000112 "PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice." xsd:string +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000116 "2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was \" a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan\". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term." xsd:string +property_value: IAO:0000116 "2014-03-31: A plan specification can have other parts, such as conditional specifications." xsd:string +property_value: IAO:0000116 "2022-01-16 Updated definition to that proposed by Clint Dowloand, IAO Issue 231." xsd:string +property_value: IAO:0000116 "Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved" xsd:string +property_value: IAO:0000117 "Alan Ruttenberg" xsd:string +property_value: IAO:0000117 "Clint Dowland" xsd:string +property_value: IAO:0000119 "OBI Plan and Planned Process branch" xsd:string +property_value: IAO:0000119 "OBI_0000344" xsd:string +property_value: seeAlso "https://github.com/information-artifact-ontology/IAO/issues/231#issuecomment-1010455131" xsd:string + +[Term] +id: IAO:0000140 +name: setting datum +def: "A settings datum is a datum that denotes some configuration of an instrument." [] +is_a: IAO:0000027 ! data item +property_value: IAO:0000114 IAO:0000123 +property_value: IAO:0000116 "2/3/2009 Feedback from OBI\n\nThis should be a \"setting specification\". There is a question of whether it is information about a realizable or not.\n\nPro other specification are about realizables.\nCons sometimes specifies a quality which is not a realizable." xsd:string +property_value: IAO:0000116 "Alan grouped these in placeholder for the moment. Name by analogy to measurement datum." xsd:string + [Term] id: IAO:0000225 name: obsolescence reason specification @@ -871,2122 +5372,6195 @@ is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string [Term] -id: NMRCV:0000000 -name: root node +id: NMR:0002001 +name: characterized compound +def: "A molecular entity that has a characterized compound role in nuclear magnetic resonance (NMR) spectroscopy." [] +is_a: CHEBI:23367 ! molecular entity +intersection_of: CHEBI:23367 ! molecular entity +intersection_of: has_role NMR:0002002 ! NMR characterized compound role +relationship: has_role NMR:0002002 ! NMR characterized compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-21T15:06:17Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/9 + +[Term] +id: NMR:0002002 +name: NMR characterized compound role +def: "A role which inheres in a molecular entity being characterized in an NMR sample using data acquired from an NMR analysis." [] +is_a: CHEBI:51086 ! chemical role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-21T15:10:29Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/9 + +[Term] +id: NMR:0002003 +name: chemical shift calibration compound +def: "A calibration compound that has a chemical shift calibration compound role in nuclear magnetic resonance (NMR) spectroscopy." [] +is_a: NMR:1400032 ! calibration compound +intersection_of: NMR:1400032 ! calibration compound +intersection_of: has_role NMR:0002006 ! NMR chemical shift calibration compound role +relationship: has_role NMR:0002006 ! NMR chemical shift calibration compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T14:49:21Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002005 +name: NMR calibration compound role +def: "A role which inheres in a molecular entity that produces one or more peaks used to calibrate the NMR spectrometer and/or the spectrum." [] +is_a: CHEBI:51086 {comment="Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.", isDefinedBy="http://nmrML.org/nmrCV"} ! chemical role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:10:11Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002006 +name: NMR chemical shift calibration compound role +def: "A role which inheres in a calibration compound that produces one or more peaks used for chemical shift calibration." [] +is_a: NMR:0002005 {comment="Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.", isDefinedBy="http://nmrML.org/nmrCV"} ! NMR calibration compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:12:21Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002007 +name: NMR concentration calibration compound role +def: "A role which inheres in a calibration compound of a known concentration that produces one or more peaks used to calibrate a spectrum for quantification." [] +is_a: NMR:0002005 ! NMR calibration compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:15:36Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002008 +name: 3H spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 3H spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002082 +name: 3He spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 3He spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3He spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T18:14:29Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002083 +name: 19F spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 19F spectra according to IUPAC recommendations." [] {comment="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 19F spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002084 +name: 29Si spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 29Si spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002085 +name: 57Fe spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 57Fe spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002086 +name: 77Se spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 77Se spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002087 +name: 89Y spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 89Y spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002088 +name: 103Rh spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 103Rh spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002089 +name: 107Ag spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 107Ag spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002090 +name: 109Ag spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations." [] {dce:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 109Ag spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002091 +name: 111Cd spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 111Cd spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002092 +name: 113Cd spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113Cd spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002093 +name: 115Sn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115Sn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002094 +name: 117Sn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 117Sn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002095 +name: 119Sn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 119Sn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002096 +name: 123Te spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Te spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002097 +name: 125Te spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 125Te spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002098 +name: 129Xe spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 129Xe spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002099 +name: 183W spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 183W spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 183W spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002100 +name: 187Os spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Os spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002101 +name: 195Pt spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 195Pt spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002102 +name: 199Hg spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 199Hg spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002103 +name: 203Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 203Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002104 +name: 205Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 205Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002105 +name: 207Pb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 207Pb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002106 +name: 59Co spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 59Co spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002107 +name: 55Mn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 55Mn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002108 +name: 53Cr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 53Cr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002109 +name: 51V spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 51V spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 51V spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002110 +name: 50V spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 50V spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 50V spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002111 +name: 49Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 49Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002112 +name: 47Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 47Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002113 +name: 45Sc spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 45Sc spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002114 +name: 43Ca spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 43Ca spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002115 +name: 41K spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 41K spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 41K spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002116 +name: 40K spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 40K spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 40K spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002117 +name: 39K spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 39K spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 39K spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002118 +name: 37Cl spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 37Cl spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002119 +name: 35Cl spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 35Cl spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002120 +name: 33S spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 33S spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 33S spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002121 +name: 27Al spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 27Al spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002122 +name: 25Mg spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 25Mg spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002123 +name: 23Na spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 23Na spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002124 +name: 21Ne spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002125 +name: 17O spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 17O spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 17O spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002126 +name: 14N spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 14N spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 14N spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002127 +name: 11B spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 11B spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 11B spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime + +[Term] +id: NMR:0002128 +name: 10B spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 10B spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 10B spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002130 +name: 9Be spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002131 +name: 7Li spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 7Li spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-26T16:16:31Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002132 +name: 6Li spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 6Li spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002133 +name: 61Ni spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 61Ni spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002134 +name: 63Cu spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 63Cu spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002135 +name: 65Cu spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 65Cu spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002136 +name: 67Zn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 67Zn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002137 +name: 69Ga spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 69Ga spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002138 +name: 71Ga spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 71Ga spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002139 +name: 73Ge spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 73Ge spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002140 +name: 75As spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 75As spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 75As spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002141 +name: 79Br spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 79Br spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002142 +name: 81Br spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 81Br spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002143 +name: 83Kr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 83Kr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002144 +name: 85Rb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 85Rb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002145 +name: 87Rb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Rb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002146 +name: 91Zr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 91Zr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002147 +name: 93Nb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 93Nb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002148 +name: 95Mo spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 95Mo spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002149 +name: 97Mo spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 97Mo spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002150 +name: 99Tc spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Tc spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002151 +name: 99Ru spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Ru spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002152 +name: 101Ru spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 101Ru spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002153 +name: 105Pd spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 105Pd spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002154 +name: 113In spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 113In spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113In spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002155 +name: 115In spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 115In spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115In spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002156 +name: 121Sb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 121Sb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002157 +name: 123Sb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Sb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002158 +name: 127I spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 127I spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 127I spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002159 +name: 131Xe spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 131Xe spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002160 +name: 133Cs spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 133Cs spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002161 +name: 135Ba spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 135Ba spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002162 +name: 137Ba spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 137Ba spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002163 +name: 138La spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 138La spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 138La spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002164 +name: 139La spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 139La spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 139La spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002165 +name: 177Hf spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 177Hf spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002166 +name: 179Hf spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 179Hf spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002167 +name: 181Ta spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 181Ta spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002168 +name: 185Re spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 185Re spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002169 +name: 187Re spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Re spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002170 +name: 189Os spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 189Os spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002171 +name: 191Ir spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 191Ir spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002172 +name: 193Ir spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 193Ir spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002173 +name: 197Au spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 197Au spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002174 +name: 201Hg spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 201Hg spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002175 +name: 209Bi spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 209Bi spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000000 +name: integer32 +is_a: NMR:1000336 ! byte format +property_value: dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits)." xsd:string + +[Term] +id: NMR:1000001 +name: sample number +namespace: NMR +def: "A reference number relevant to the sample under study." [MSI:NMR] +xref: value-type:xsd\:string "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute + +[Term] +id: NMR:1000002 +name: long64 +is_a: NMR:1000336 ! byte format +property_value: dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits)." xsd:string + +[Term] +id: NMR:1000003 +name: sample state information +namespace: NMR +def: "The chemical phase of a pure sample, or the state of a mixed sample." [MSI:NMR] +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000011 -name: planned process -def: "A process that realizes a plan which is the concretization of a plan specification." [] -is_a: BFO:0000015 ! process -property_value: IAO:0000111 "planned process" xsd:string -property_value: IAO:0000111 "planned process" xsd:string -property_value: IAO:0000112 "Injecting mice with a vaccine in order to test its efficacy" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" xsd:string -property_value: IAO:0000116 "We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some \nobjectives is a planned process." xsd:string -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000119 "branch derived" xsd:string -property_value: IAO:0000232 "6/11/9: Edited at workshop. Used to include: is initiated by an agent" xsd:string -property_value: IAO:0000232 "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl +id: NMR:1000004 +name: sample mass information +namespace: NMR +def: "Total mass of sample used." [MSI:NMR] +xref: value-type:xsd\:float "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000014 -name: regulator role -def: "a regulatory role involved with making and/or enforcing relevant legislation and governmental orders" [] -is_a: OBI:0000017 ! regulatory role -property_value: IAO:0000111 "regulator role" xsd:string -property_value: IAO:0000112 "Fact sheet - Regulating the companies The role of the regulator. Ofwat is the economic regulator of the water and sewerage industry in England and Wales. http://www.ofwat.gov.uk/aptrix/ofwat/publish.nsf/Content/roleofregulator_factsheet170805" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Person:Jennifer Fostel" xsd:string -property_value: IAO:0000118 "regulator" xsd:string -property_value: IAO:0000119 "OBI" xsd:string +id: NMR:1000005 +name: sample volume +namespace: NMR +def: "Total volume of solution used." [MSI:NMR] +xref: value-type:xsd\:float "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000017 -name: regulatory role -def: "a role which inheres in material entities and is realized in the processes of making, enforcing or being defined by legislation or orders issued by a governmental body." [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "regulatory role" xsd:string -property_value: IAO:0000112 "Regulatory agency, Ethics committee, Approval letter; example: Browse these EPA Regulatory Role subtopics http://www.epa.gov/ebtpages/enviregulatoryrole.html Feb 29, 2008" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "GROUP: Role branch" xsd:string -property_value: IAO:0000119 "OBI, CDISC" xsd:string -property_value: IAO:0000232 "govt agents responsible for creating regulations; proxies for enforcing regulations. CDISC definition: regulatory authorities. Bodies having the power to regulate. NOTE: In the ICH GCP guideline the term includes the authorities that review submitted clinical data and those that conduct inspections. These bodies are sometimes referred to as competent" xsd:string +id: NMR:1000006 +name: sample concentration +namespace: NMR +def: "Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used." [MSI:NMR] +xref: value-type:xsd\:float "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000018 -name: material supplier role -def: "a role realized through the process of supplying materials such as animal subjects, reagents or other materials used in an investigation." [] -is_a: OBI:0000947 ! service provider role -property_value: IAO:0000111 "material supplier role" xsd:string -property_value: IAO:0000112 "Jackson Labs is an organization which provide mice as experimental material" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000116 "Supplier role is a special kind of service, e.g. biobank" xsd:string -property_value: IAO:0000117 "PERSON:Jennifer Fostel" xsd:string -property_value: IAO:0000118 "material provider role" xsd:string -property_value: IAO:0000118 "supplier" xsd:string +id: NMR:1000008 +name: quadrature detection +comment: One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible\nto determine if the frequency is positive or negative. The instrument uses a spectrometer\nfrequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule\nproduces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency\nis 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency\nsignals are very easy frequency to detect, transmit, amplify and sample.\nThe complication with this rotating frame of reference is that a single detector can not distinguish positive and\nnegative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels\nseparated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these\ntwo channels, it is possible to distinguish positive and negative frequencies. This section shows how the\nquadrature signal is processed to obtain an NMR spectrum.\nThe Fourier transform produces a complex number with a real and an imaginary component. The Re function\nextracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number. +is_a: NMR:1400042 ! NMR data processing [Term] -id: OBI:0000023 -name: classified data set -def: "A data set that is produced as the output of a class prediction data transformation and consists of a data set with assigned class labels." [] -is_a: BFO:0000002 ! continuant -is_a: IAO:0000100 -relationship: OBI:0000312 OBI:0000663 ! is_specified_output_of class prediction data transformation -property_value: IAO:0000111 "classified data set" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "PERSON: James Malone" xsd:string -property_value: IAO:0000117 "PERSON: Monnie McGee" xsd:string -property_value: IAO:0000118 "data set with assigned class labels" xsd:string +id: NMR:1000010 +name: contact role +is_a: NMR:1000585 ! contact attribute [Term] -id: OBI:0000112 -name: specimen role -def: "a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation" [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "specimen role" xsd:string -property_value: IAO:0000112 "liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role." xsd:string -property_value: IAO:0000116 "blood taken from animal: animal continues in study, whereas blood has role specimen.\nsomething taken from study subject, leaves the study and becomes the specimen." xsd:string -property_value: IAO:0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." xsd:string -property_value: IAO:0000116 "parasite example\n- when parasite in people we study people, people are subjects and parasites are specimen\n- when parasite extracted, they become subject in the following study\nspecimen can later be subject." xsd:string -property_value: IAO:0000117 "GROUP: Role Branch" xsd:string -property_value: IAO:0000119 "OBI" xsd:string -property_value: IAO:0000233 https://github.com/obi-ontology/obi/issues/1013 +id: NMR:1000011 +name: data file attribute +is_a: BFO:0000031 ! generically dependent continuant [Term] -id: OBI:0000245 -name: organization -def: "An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members." [] -is_a: BFO:0000040 ! material entity -property_value: IAO:0000111 "organization" xsd:string -property_value: IAO:0000112 "PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based:\n\n1) there are organization_member_roles (president, treasurer, branch\neditor), with individual persons as bearers\n\n2) there are organization_roles (employer, owner, vendor, patent holder)\n\n3) an organization has a charter / rules / bylaws, which specify what roles\nthere are, how they should be realized, and how to modify the\ncharter/rules/bylaws themselves.\n\nIt is debatable what the organization itself is (some kind of dependent\ncontinuant or an aggregate of people). This also determines who/what the\nbearer of organization_roles' are. My personal favorite is still to define\norganization as a kind of 'legal entity', but thinking it through leads to\nall kinds of questions that are clearly outside the scope of OBI.\n\nInterestingly enough, it does not seem to matter much where we place\norganization itself, as long as we can subclass it (University, Corporation,\nGovernment Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO,\nW3C, University of Oklahoma), and have it play roles.\n\nThis leads to my proposal: We define organization through the statements 1 -\n3 above, but without an 'is a' statement for now. We can leave it in its\ncurrent place in the is_a hierarchy (material entity) or move it up to\n'continuant'. We leave further clarifications to BFO, and close this issue\nfor now." xsd:string -property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000117 "PERSON: Susanna Sansone" xsd:string -property_value: IAO:0000119 "GROUP: OBI" xsd:string +id: NMR:1000012 +is_a: oboInOwl:ObsoleteClass [Term] -id: OBI:0000450 -name: regulatory agency -def: "A regulatory agency is a organization that has responsibility over or for the legislation (acts and regulations) for a given sector of the government." [] -is_a: OBI:0000245 ! organization -intersection_of: OBI:0000245 ! organization -intersection_of: RO:0000087 OBI:0000014 ! has role regulator role -relationship: RO:0000087 OBI:0000014 ! has role regulator role -property_value: IAO:0000111 "regulatory agency" xsd:string -property_value: IAO:0000112 "The US Environmental Protection Agency" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "GROUP: OBI Biomaterial Branch" xsd:string -property_value: IAO:0000119 "WEB: en.wikipedia.org/wiki/Regulator" xsd:string +id: NMR:1000013 +name: 1D spectrum coordinate system descriptor +is_a: NMR:1000172 ! NMR spectrum descriptor [Term] -id: OBI:0000571 -name: manufacturer role -def: "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process." [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "manufacturer role" xsd:string -property_value: IAO:0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "GROUP: Role Branch" xsd:string -property_value: IAO:0000119 "OBI" xsd:string +id: NMR:1000014 +name: pre-acquisition solvent suppression +is_a: NMR:1400063 ! data transformation [Term] -id: OBI:0000648 -name: clustered data set -def: "A data set that is produced as the output of a class discovery data transformation and consists of a data set with assigned discovered class labels." [] -is_a: BFO:0000002 ! continuant -is_a: IAO:0000100 -relationship: OBI:0000312 OBI:0200175 ! is_specified_output_of class discovery data transformation -property_value: IAO:0000111 "clustered data set" xsd:string -property_value: IAO:0000112 "A clustered data set is the output of a K means clustering data transformation" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "PERSON: James Malone" xsd:string -property_value: IAO:0000117 "PERSON: Monnie McGee" xsd:string -property_value: IAO:0000118 "data set with assigned discovered class labels" xsd:string -property_value: IAO:0000232 "AR thinks could be a data item instead" xsd:string +id: NMR:1000015 +name: peak processing +is_a: NMR:1400038 ! frequency domain data processing [Term] -id: OBI:0000659 -name: specimen collection process -def: "A planned process with the objective of collecting a specimen." [] -is_a: OBI:0000011 ! planned process -intersection_of: OBI:0000011 ! planned process -intersection_of: OBI:0000417 OBI:0000684 ! achieves_planned_objective specimen collection objective -relationship: OBI:0000293 BFO:0000040 ! has_specified_input material entity -relationship: OBI:0000299 OBI:0100051 ! has_specified_output specimen -relationship: OBI:0000417 OBI:0000684 ! achieves_planned_objective specimen collection objective -property_value: IAO:0000111 "specimen collection process" xsd:string -property_value: IAO:0000112 "drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "label changed to 'specimen collection process' on 10/27/2014, details see tracker:\nhttp://sourceforge.net/p/obi/obi-terms/716/" xsd:string -property_value: IAO:0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." xsd:string -property_value: IAO:0000116 "Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role." xsd:string -property_value: IAO:0000116 "Philly2013: The specimen_role for the specimen is created during the specimen collection process." xsd:string -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000118 "specimen collection" xsd:string -property_value: IAO:0000232 "5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession" xsd:string -property_value: IAO:0000232 "6/9/09: used at workshop" xsd:string +id: NMR:1000016 +name: obsolete_Hexafluorobenzene +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:38589 [Term] -id: OBI:0000663 -name: class prediction data transformation -def: "A class prediction data transformation (sometimes called supervised classification) is a data transformation that has objective class prediction." [] -is_a: OBI:0200000 ! data transformation -property_value: IAO:0000111 "class prediction data transformation" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "supervised classification data transformation" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000017 +name: obsolete_Chloroform-d +synonym: "CDCl3" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85365 [Term] -id: OBI:0000684 -name: specimen collection objective -def: "A objective specification to obtain a material entity for potential use as an input during an investigation." [] -is_a: IAO:0000005 -property_value: IAO:0000111 "specimen collection objective" xsd:string -property_value: IAO:0000112 "The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000119 "Bjoern Peters" xsd:string +id: NMR:1000018 +name: obsolete_heavy water +synonym: "D2O" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:41981 +consider: CHEBI:41981 [Term] -id: OBI:0000700 -name: support vector machine -def: "A support vector machine is a data transformation with a class prediction objective based on the construction of a separating hyperplane that maximizes the margin between two data sets of vectors in n-dimensional space." [] -is_a: OBI:0000663 ! class prediction data transformation -relationship: OBI:0000417 OBI:0200179 ! achieves_planned_objective class prediction objective -property_value: IAO:0000111 "support vector machine" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Ryan Brinkman" xsd:string -property_value: IAO:0000118 "SVM" xsd:string -property_value: IAO:0000119 "PERSON: Ryan Brinkman" xsd:string +id: NMR:1000019 +name: sample pH +is_a: NMR:1002011 ! pH [Term] -id: OBI:0000704 -name: decision tree induction objective -def: "A decision tree induction objective is a data transformation objective in which a tree-like graph of edges and nodes is created and from which the selection of each branch requires that some type of logical decision is made." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "decision tree induction objective" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string +id: NMR:1000020 +name: post buffer pH +is_a: NMR:1002011 ! pH [Term] -id: OBI:0000707 -name: decision tree building data transformation -def: "A decision tree building data transformation is a data transformation that has objective decision tree induction." [] -is_a: OBI:0200000 ! data transformation -relationship: OBI:0000417 OBI:0000704 ! achieves_planned_objective decision tree induction objective -property_value: IAO:0000111 "decision tree building data transformation" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000021 +name: apodization +is_a: NMR:1400041 ! time domain data processing +property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string +property_value: IAO:0000119 "http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf" xsd:string +property_value: skos:definition "Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both.\nApodization is usually performed by applying a window function to the FID" xsd:string [Term] -id: OBI:0000713 -name: GenePattern software -def: "a software that provides access to more than 100 tools for gene expression analysis, proteomics, SNP analysis and common data processing tasks." [] -is_a: IAO:0000010 -property_value: IAO:0000111 "GenePattern software" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Person:Helen Parkinson" xsd:string -property_value: IAO:0000119 "WEB: http://www.broadinstitute.org/cancer/software/genepattern/" xsd:string +id: NMR:1000022 +name: metabolomics database identifier +comment: PRS: rename 'reference' to 'identifier' +is_a: NMR:1000878 ! external reference identifier +property_value: dce:source "http://www.metabolomicssociety.org/databases" xsd:string [Term] -id: OBI:0000726 -name: peak matching -def: "Peak matching is a data transformation performed on a dataset of a graph of ordered data points (e.g. a spectrum) with the objective of pattern matching local maxima above a noise threshold" [] -is_a: OBI:0200000 ! data transformation -property_value: IAO:0000111 "peak matching" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Ryan Brinkman" xsd:string -property_value: IAO:0000119 "PERSON: Ryan Brinkman" xsd:string - -[Term] -id: OBI:0000727 -name: k-nearest neighbors -def: "A k-nearest neighbors is a data transformation which achieves a class discovery or partitioning objective, in which an input data object with vector y is assigned to a class label based upon the k closest training data set points to y; where k is the largest value that class label is assigned." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200171 ! partitioning data transformation -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "k-nearest neighbors" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "k-NN" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000023 +name: Metabolights identifier +is_a: NMR:1000022 ! metabolomics database identifier [Term] -id: OBI:0000749 -name: CART -def: "A CART (classification and regression trees) is a data transformation method for producing a classification or regression model with a tree-based structure." [] -is_a: OBI:0000707 ! decision tree building data transformation -property_value: IAO:0000111 "CART" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "classification and regression trees" xsd:string -property_value: IAO:0000119 "BOOK: David J. Hand, Heikki Mannila and Padhraic Smyth (2001) Principles of Data Mining." xsd:string - -[Term] -id: OBI:0000792 -name: statistical model validation -def: "A data transformation which assesses how the results of a statistical analysis will generalize to an independent data set." [] -is_a: OBI:0200171 ! partitioning data transformation -relationship: OBI:0000417 OBI:0200188 ! achieves_planned_objective cross validation objective -property_value: IAO:0000111 "statistical model validation" xsd:string -property_value: IAO:0000112 "Using the expression levels of 20 proteins to predict whether a cancer patient will respond to a drug. A practical goal would be to determine which subset of the 20 features should be used to produce the best predictive model. - wikipedia" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Helen Parkinson" xsd:string -property_value: IAO:0000119 "http://en.wikipedia.org/wiki/Cross-validation_%28statistics%29" xsd:string +id: NMR:1000024 +name: obsolete_acetonitrile +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:38472 [Term] -id: OBI:0000835 -name: manufacturer -def: "A person or organization that has a manufacturer role." [] -is_a: BFO:0000040 ! material entity -relationship: RO:0000087 OBI:0000571 ! has role manufacturer role -property_value: IAO:0000111 "manufacturer" xsd:string -property_value: IAO:0000114 IAO:0000123 +id: NMR:1000025 +name: obsolete_1,4-Dioxane +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:47032 [Term] -id: OBI:0000947 -name: service provider role -def: "is a role which inheres in a person or organization and is realized in in a planned process which provides access to training, materials or execution of protocols for an organization or person" [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "service provider role" xsd:string -property_value: IAO:0000112 "Jackson Lab provides experimental animals, EBI provides training on databases, a core facility provides access to a DNA sequencer." xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "PERSON:Helen Parkinson" xsd:string +id: NMR:1000026 +name: 1H spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 1H spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 1H spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000027 +name: obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate +synonym: "DSS" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:228806 [Term] -id: OBI:0000963 -name: categorical label -def: "A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale." [] -is_a: IAO:0000009 -property_value: IAO:0000111 "categorical label" xsd:string -property_value: IAO:0000112 "The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels." xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000119 "Bjoern Peters" xsd:string +id: NMR:1000028 +name: obsolete_sodium acetate +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:32954 + +[Term] +id: NMR:1000029 +name: obsolete_tetramethylsilane +synonym: "TMS" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85361 [Term] -id: OBI:0001000 -name: questionnaire -def: "A document with a set of printed or written questions with a choice of answers, devised for the purposes of a survey or statistical study." [] -is_a: IAO:0000310 -property_value: IAO:0000111 "questionnaire" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000116 "JT: It plays a role in collecting data that could be fleshed out more; but I'm thinking it is, in itself, an edited document. \nJZ: based on textual definition of edited document, it can be defined as N&S. I prefer to leave questionnaire as a document now. We can add more restrictions in the future and use that to determine it is an edited document or not." xsd:string -property_value: IAO:0000116 "Need to clarify if this is a document or a directive information entity (or what their connection is))" xsd:string -property_value: IAO:0000117 "PERSON: Jessica Turner" xsd:string -property_value: IAO:0000119 "Merriam-Webster" xsd:string +id: NMR:1000030 +name: 13C spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 13C spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 13C spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000031 +name: NMR instrument model +namespace: NMR +def: "Instrument model name not including the vendor's name." [MSI:NMR] +is_a: NMR:1000496 ! instrument attribute [Term] -id: OBI:0001930 -name: categorical value specification -def: "A value specification that is specifies one category out of a fixed number of nominal categories" [] -is_a: OBI:0001933 ! value specification -property_value: IAO:0000111 "categorical value specification" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string +id: NMR:1000032 +name: instrument customization +namespace: NMR +def: "Free text description of a single customization made to the instrument; for several modifications, use several entries." [MSI:NMR] +xref: value-type:xsd\:string "The allowed value-type for this CV term." +is_a: NMR:1000496 ! instrument attribute [Term] -id: OBI:0001933 -name: value specification -def: "An information content entity that specifies a value within a classification scheme or on a quantitative scale." [] -is_a: IAO:0000030 ! information content entity -property_value: IAO:0000111 "value specification" xsd:string -property_value: IAO:0000112 "The value of 'positive' in a classification scheme of \"positive or negative\"; the value of '20g' on the quantitative scale of mass." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement." xsd:string -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string +id: NMR:1000033 +name: obsolete_Chloroform-d1 +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85365 [Term] -id: OBI:0002076 -name: collection of specimens -def: "A material entity that has two or more specimens as its parts." [] -is_a: BFO:0000040 ! material entity -intersection_of: BFO:0000040 ! material entity -intersection_of: RO:0002351 OBI:0100051 {all_only="true"} ! specimen -property_value: http://purl.org/dc/elements/1.1/source "Biobank" xsd:string -property_value: IAO:0000111 "collection of specimens" xsd:string -property_value: IAO:0000112 "Blood cells collected from multiple donors over the course of a study." xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/" xsd:string -property_value: IAO:0000117 "Person: Chris Stoeckert, Jie Zheng" xsd:string -property_value: IAO:0000119 "OBIB, OBI" xsd:string - -[Term] -id: OBI:0002205 -name: histologic grade according to AJCC 7th edition -def: "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the American Joint Committee on Cancer (AJCC) 7th Edition grading system." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "histologic grade according to AJCC 7th edition" xsd:string -property_value: IAO:0000112 "G1:Well differentiated" xsd:string -property_value: IAO:0000112 "G4: Undifferentiated" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000034 +name: keyword +is_a: NMR:1400117 ! reference [Term] -id: OBI:0002210 -name: histologic grade according to the Fuhrman Nuclear Grading System -def: "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the Fuhrman Nuclear Grading System." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "histologic grade according to the Fuhrman Nuclear Grading System" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Histologic Grade (Fuhrman Nuclear Grading System)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000035 +name: obsolete_tetramethylammonium bromide +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:55317 [Term] -id: OBI:0002215 -name: histologic grade for ovarian tumor -def: "A categorical value specification that is a histologic grade assigned to a ovarian tumor." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "histologic grade for ovarian tumor" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000036 +name: 15N spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 15N spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 15N spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 [Term] -id: OBI:0002216 -name: histologic grade for ovarian tumor according to a two-tier grading system -def: "A histologic grade for ovarian tumor that is from a two-tier histological classification of tumors." [] -is_a: OBI:0002215 ! histologic grade for ovarian tumor -property_value: IAO:0000111 "histologic grade for ovarian tumor according to a two-tier grading system" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000037 +name: obsolete_ammonia (liquid) +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:16134 [Term] -id: OBI:0002219 -name: histologic grade for ovarian tumor according to the World Health Organization -def: "A histologic grade for ovarian tumor that is from a histological classification by the World Health Organization (WHO)." [] -is_a: OBI:0002215 ! histologic grade for ovarian tumor -property_value: IAO:0000111 "histologic grade for ovarian tumor according to the World Health Organization" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000038 +name: obsolete_ammonium bromide +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85364 [Term] -id: OBI:0002224 -name: pathologic primary tumor stage for colon and rectum according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for colon and rectum according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread colorectal primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000039 +name: obsolete_1,4-morpholine +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:34856 [Term] -id: OBI:0002232 -name: pathologic primary tumor stage for lung according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for lung according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread lung primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000040 +name: obsolete_nitromethane +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:77701 [Term] -id: OBI:0002243 -name: pathologic primary tumor stage for kidney according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for kidney according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread kidney primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000041 +name: obsolete_pyridine +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:16227 [Term] -id: OBI:0002256 -name: pathologic primary tumor stage for ovary according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for ovary according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread ovarian primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000042 +name: obsolete_sodium nitrate +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:63005 [Term] -id: OBI:0002270 -name: pathologic lymph node stage for colon and rectum according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for colon and rectum according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000043 +name: post-acquisition solvent suppression +synonym: "solvent filtering" EXACT [] +is_a: NMR:1400073 ! spectral denoising [Term] -id: OBI:0002279 -name: pathologic lymph node stage for lung according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for lung according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000044 +name: decoupling method +def: "Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds." [] +is_a: NMR:1001954 ! NMR acquisition parameter +property_value: dce:source "http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling" xsd:string [Term] -id: OBI:0002284 -name: pathologic lymph node stage for kidney according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for kidney according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread kidney lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000045 +name: homonuclear decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002287 -name: pathologic lymph node stage for ovary according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for ovary according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread ovarian lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000046 +name: heteronuclear decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002290 -name: pathologic distant metastases stage for colon according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of colon cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for colon according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: colon distant metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000047 +name: emulsion +namespace: NMR +def: "State if the sample is in emulsion form." [MSI:NMR] +is_a: NMR:1000049 ! liquid [Term] -id: OBI:0002298 -name: pathologic distant metastases stage for lung according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for lung according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: lung distant metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000048 +name: gas +namespace: NMR +def: "State if the sample is in gaseous form." [MSI:NMR] +is_a: NMR:1000003 ! sample state information [Term] -id: OBI:0002306 -name: pathologic distant metastases stage for kidney according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for kidney according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: kidney distant Metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000049 +name: liquid +namespace: NMR +def: "State if the sample is in liquid form." [MSI:NMR] +is_a: NMR:1000003 ! sample state information [Term] -id: OBI:0002310 -name: pathologic distant metastases stage for ovary according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for ovary according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: ovarian distant metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000050 +name: solid +namespace: NMR +def: "State if the sample is in solid form." [MSI:NMR] +is_a: NMR:1000003 ! sample state information [Term] -id: OBI:0002314 -name: clinical tumor stage group according to AJCC 7th edition -def: "A categorical value specification that is an assessment of the stage of a cancer according to the American Joint Committee on Cancer (AJCC) v7 staging systems." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "clinical tumor stage group according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Clinical tumor stage group (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000051 +name: solution +namespace: NMR +def: "State if the sample is in solution form." [MSI:NMR] +is_a: NMR:1000049 ! liquid [Term] -id: OBI:0002326 -name: International Federation of Gynecology and Obstetrics cervical cancer stage value specification -def: "A categorical value specification that is an assessment of the stage of a gynecologic cancer according to the International Federation of Gynecology and Obstetrics (FIGO) staging systems." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "International Federation of Gynecology and Obstetrics cervical cancer stage value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Clinical FIGO stage" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000052 +name: suspension +namespace: NMR +def: "State if the sample is in suspension form." [MSI:NMR] +is_a: NMR:1000049 ! liquid [Term] -id: OBI:0002341 -name: International Federation of Gynecology and Obstetrics ovarian cancer stage value specification -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the FIGO classification system." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "International Federation of Gynecology and Obstetrics ovarian cancer stage value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Pathologic Tumor Stage Grouping for ovarian cancer (FIGO)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000053 +name: sample batch information +namespace: NMR +def: "Sample batch lot identifier." [MSI:NMR] +xref: value-type:xsd\:string "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0002356 -name: performance status value specification -def: "A categorical value specification that is an assessment of a participant's performance status (general well-being and activities of daily life)." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "performance status value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Performance Status Scale" xsd:string -property_value: IAO:0000119 "https://en.wikipedia.org/wiki/Performance_status" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000054 +name: broad band decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002357 -name: Eastern Cooperative Oncology Group score value specification -def: "A performance status value specification designed by the Eastern Cooperative Oncology Group to assess disease progression and its affect on the daily living abilities of the patient." [] -is_a: OBI:0002356 ! performance status value specification -property_value: IAO:0000111 "Eastern Cooperative Oncology Group score value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "ECOG score" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000055 +name: off resonance decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002363 -name: Karnofsky score vaue specification -def: "A performance status value specification designed for classifying patients 16 years of age or older by their functional impairment." [] -is_a: OBI:0002356 ! performance status value specification -property_value: IAO:0000111 "Karnofsky score vaue specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Karnofsky Score" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000056 +name: specific decoupling +synonym: "band-selective decoupling" EXACT [] +synonym: "narowband decoupling" EXACT [] +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002989 -name: material supplier -def: "A person or organization that provides material supplies to other people or organizations." [] -is_a: BFO:0000040 ! material entity -relationship: RO:0000087 OBI:0000018 ! has role material supplier role -property_value: IAO:0000111 "material supplier" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "Rebecca Jackson" xsd:string -property_value: IAO:0000233 "https://github.com/obi-ontology/obi/issues/1289" xsd:string +id: NMR:1000057 +name: angle of sinusoid +is_a: NMR:1400096 ! window function parameter [Term] -id: OBI:0100051 -name: specimen -def: "A material entity that has the specimen role." [] -is_a: BFO:0000040 ! material entity -intersection_of: BFO:0000040 ! material entity -intersection_of: RO:0000087 OBI:0000112 ! has role specimen role -relationship: RO:0000087 OBI:0000112 ! has role specimen role -property_value: IAO:0000111 "specimen" xsd:string -property_value: IAO:0000112 "Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." xsd:string -property_value: IAO:0000117 "PERSON: James Malone" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000119 "GROUP: OBI Biomaterial Branch" xsd:string -property_value: IAO:0000233 https://github.com/obi-ontology/obi/issues/1013 +id: NMR:1000058 +name: 31P spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 31P spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 31P spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 [Term] -id: OBI:0200000 -name: data transformation -def: "A planned process that produces output data from input data." [] -is_a: OBI:0000011 ! planned process -relationship: OBI:0000293 IAO:0000027 {all_only="true"} ! has_specified_input data item -relationship: OBI:0000417 OBI:0200166 ! achieves_planned_objective data transformation objective -property_value: IAO:0000111 "data transformation" xsd:string -property_value: IAO:0000112 "The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "Helen Parkinson" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000117 "Richard Scheuermann" xsd:string -property_value: IAO:0000117 "Ryan Brinkman" xsd:string -property_value: IAO:0000117 "Tina Hernandez-Boussard" xsd:string -property_value: IAO:0000118 "data analysis" xsd:string -property_value: IAO:0000118 "data processing" xsd:string -property_value: IAO:0000119 "Branch editors" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl - -[Term] -id: OBI:0200033 -name: leave one out cross validation method -def: "is a data transformation : leave-one-out cross-validation (LOOCV) involves using a single observation from the original sample as the validation data, and the remaining observations as the training data. This is repeated such that each observation in the sample is used once as the validation data" [] -is_a: OBI:0000792 ! statistical model validation -property_value: IAO:0000111 "leave one out cross validation method" xsd:string -property_value: IAO:0000112 "The authors conducted leave-one-out cross validation to estimate the strength and accuracy of the differentially expressed filtered genes. http://bioinformatics.oxfordjournals.org/cgi/content/abstract/19/3/368" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000116 "2009-11-10. Tracker: https://sourceforge.net/tracker/?func=detail&aid=2893049&group_id=177891&atid=886178" xsd:string -property_value: IAO:0000117 "Person:Helen Parkinson" xsd:string - -[Term] -id: OBI:0200041 -name: k-means clustering -def: "A k-means clustering is a data transformation which achieves a class discovery or partitioning objective, which takes as input a collection of objects (represented as points in multidimensional space) and which partitions them into a specified number k of clusters. The algorithm attempts to find the centers of natural clusters in the data. The most common form of the algorithm starts by partitioning the input points into k initial sets, either at random or using some heuristic data. It then calculates the mean point, or centroid, of each set. It constructs a new partition by associating each point with the closest centroid. Then the centroids are recalculated for the new clusters, and the algorithm repeated by alternate applications of these two steps until convergence, which is obtained when the points no longer switch clusters (or alternatively centroids are no longer changed)." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200171 ! partitioning data transformation -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "k-means clustering" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/K-means" xsd:string +id: NMR:1000059 +name: obsolete_phosphoric acid +synonym: "H3PO4" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:26078 [Term] -id: OBI:0200042 -name: hierarchical clustering -def: "A hierarchical clustering is a data transformation which achieves a class discovery objective, which takes as input data item and builds a hierarchy of clusters. The traditional representation of this hierarchy is a tree (visualized by a dendrogram), with the individual input objects at one end (leaves) and a single cluster containing every object at the other (root)." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "hierarchical clustering" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/Data_clustering#Hierarchical_clustering" xsd:string - -[Term] -id: OBI:0200050 -name: dimensionality reduction -def: "A dimensionality reduction is data partitioning which transforms each input m-dimensional vector (x_1, x_2, ..., x_m) into an output n-dimensional vector (y_1, y_2, ..., y_n), where n is smaller than m." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "dimensionality reduction" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000118 "data projection" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Melanie Courtot" xsd:string +id: NMR:1000060 +name: obsolete_phosphorus +synonym: "P4" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:37971 [Term] -id: OBI:0200051 -name: principal components analysis dimensionality reduction -def: "A principal components analysis dimensionality reduction is a dimensionality reduction achieved by applying principal components analysis and by keeping low-order principal components and excluding higher-order ones." [] -is_a: OBI:0200050 ! dimensionality reduction -property_value: IAO:0000111 "principal components analysis dimensionality reduction" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000118 "pca data reduction" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Melanie Courtot" xsd:string +id: NMR:1000061 +name: obsolete_trimethyl phosphate +synonym: "(CH3O)3PO" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:46324 [Term] -id: OBI:0200111 -name: data visualization -def: "A planned process with the objective to graphically represent some data by inputing the data and outputting images, diagrams or animations." [] -is_a: OBI:0000011 ! planned process -relationship: OBI:0000293 IAO:0000027 ! has_specified_input data item -relationship: OBI:0000293 IAO:0000027 {all_only="true"} ! has_specified_input data item -property_value: IAO:0000111 "data visualization" xsd:string -property_value: IAO:0000112 "Generation of a heatmap from a microarray dataset" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Tina Boussard" xsd:string -property_value: IAO:0000118 "data encoding as image" xsd:string -property_value: IAO:0000118 "visualization" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000119 "PERSON: Tina Boussard" xsd:string -property_value: IAO:0000232 "Possible future hierarchy might include this:\ninformation_encoding\n>data_encoding\n>>image_encoding" xsd:string - -[Term] -id: OBI:0200166 -name: data transformation objective -def: "An objective specification to transformation input data into output data" [] -is_a: IAO:0000005 -property_value: IAO:0000111 "data transformation objective" xsd:string -property_value: IAO:0000112 "normalize objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "Modified definition in 2013 Philly OBI workshop" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000062 +name: obsolete_triphenylphosphine +synonym: "P(C6H5)3" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:183318 [Term] -id: OBI:0200171 -name: partitioning data transformation -def: "A partitioning data transformation is a data transformation that has objective partitioning." [] -is_a: OBI:0200000 ! data transformation -relationship: OBI:0000417 OBI:0200172 ! achieves_planned_objective partitioning objective -property_value: IAO:0000111 "partitioning data transformation" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000063 +name: obsolete_triphenylphosphine oxide +synonym: "O=P(C6H5)3" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:36601 [Term] -id: OBI:0200172 -name: partitioning objective -def: "A partitioning objective is a data transformation objective where the aim is to generate a collection of disjoint non-empty subsets whose union equals a non-empty input set." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "partitioning objective" xsd:string -property_value: IAO:0000112 "A k-means clustering which has partitioning objective is a data transformation in which the input data is partitioned into k output sets." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string +id: NMR:1000064 +name: co-dissolved internal reference +is_a: NMR:1002013 ! chemical shift reference [Term] -id: OBI:0200175 -name: class discovery data transformation -def: "A class discovery data transformation (sometimes called unsupervised classification) is a data transformation that has objective class discovery." [] -is_a: OBI:0200000 ! data transformation -property_value: IAO:0000111 "class discovery data transformation" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "clustering data transformation" xsd:string -property_value: IAO:0000118 "unsupervised classification data transformation" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000065 +name: synthetic reference signal +is_a: NMR:1002013 ! chemical shift reference [Term] -id: OBI:0200178 -name: class discovery objective -def: "A class discovery objective (sometimes called unsupervised classification) is a data transformation objective where the aim is to organize input data (typically vectors of attributes) into classes, where the number of classes and their specifications are not known a priori. Depending on usage, the class assignment can be definite or probabilistic." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "class discovery objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "clustering objective" xsd:string -property_value: IAO:0000118 "discriminant analysis objective" xsd:string -property_value: IAO:0000118 "unsupervised classification objective" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string - -[Term] -id: OBI:0200179 -name: class prediction objective -def: "A class prediction objective (sometimes called supervised classification) is a data transformation objective where the aim is to create a predictor from training data through a machine learning technique. The training data consist of pairs of objects (typically vectors of attributes) and\nclass labels for these objects. The resulting predictor can be used to attach class labels to any valid novel input object. Depending on usage, the prediction can be definite or probabilistic. A classification is learned from the training data and can then be tested on test data." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "class prediction objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "classification objective" xsd:string -property_value: IAO:0000118 "supervised classification objective" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string - -[Term] -id: OBI:0200188 -name: cross validation objective -def: "A cross validation objective is a data transformation objective in which the aim is to partition a sample of data into subsets such that the analysis is initially performed on a single subset, while the other subset(s) are retained for subsequent use in confirming and validating the initial analysis." [] -is_a: OBI:0200172 ! partitioning objective -property_value: IAO:0000111 "cross validation objective" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "rotation estimation objective" xsd:string -property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/Cross_validation" xsd:string +id: NMR:1000066 +name: residual solvent signal +is_a: NMR:1002013 ! chemical shift reference [Term] -id: OBI:0200190 -name: clustered data visualization -def: "A data visualization which has input of a clustered data set and produces an output of a report graph which is capable of rendering data of this type." [] -is_a: OBI:0200111 ! data visualization -relationship: OBI:0000293 OBI:0000648 {all_only="true"} ! has_specified_input clustered data set -property_value: IAO:0000111 "clustered data visualization" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string +id: NMR:1000067 +name: FID zero filling +is_a: NMR:1400041 ! time domain data processing -[Typedef] -id: BFO:0000050 -name: part of -def: "a core relation that holds between a part and its whole" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000111 "is part of" xsd:string -property_value: IAO:0000112 "my brain is part of my body (continuant parthood, two material entities)" xsd:string -property_value: IAO:0000112 "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)" xsd:string -property_value: IAO:0000112 "this day is part of this year (occurrent parthood)" xsd:string -property_value: IAO:0000116 "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other." xsd:string -property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string -property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)\n\nA continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'." xsd:string -property_value: IAO:0000118 "part_of" xsd:string -property_value: RO:0001900 RO:0001901 -property_value: RO:0040042 BFO:0000002 -property_value: RO:0040042 BFO:0000003 -property_value: RO:0040042 BFO:0000004 -property_value: RO:0040042 BFO:0000017 -property_value: RO:0040042 BFO:0000019 -property_value: RO:0040042 BFO:0000020 -property_value: RO:0040042 BFO:0000031 -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Community:Parts_and_Collections -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:PartOf -property_value: seeAlso "http://www.obofoundry.org/ro/#OBO_REL:part_of" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Part_of" xsd:anyURI -is_transitive: true -is_a: RO:0002131 ! overlaps -inverse_of: BFO:0000051 ! has part +[Term] +id: NMR:1000068 +name: data extrapolation using linear prediction +is_a: NMR:1000067 ! FID zero filling -[Typedef] -id: BFO:0000051 -name: has part -def: "a core relation that holds between a whole and its part" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000111 "has part" xsd:string -property_value: IAO:0000112 "my body has part my brain (continuant parthood, two material entities)" xsd:string -property_value: IAO:0000112 "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" xsd:string -property_value: IAO:0000112 "this year has part this day (occurrent parthood)" xsd:string -property_value: IAO:0000116 "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." xsd:string -property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string -property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string -property_value: IAO:0000118 "has_part" xsd:string -property_value: RO:0001900 RO:0001901 -is_transitive: true -is_a: RO:0002131 ! overlaps +[Term] +id: NMR:1000069 +name: multiplying FID by window function +is_a: NMR:1400041 ! time domain data processing -[Typedef] -id: BFO:0000062 -name: preceded by -def: "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] -subset: ro-eco -property_value: http://purl.org/dc/terms/source "http://www.obofoundry.org/ro/#OBO_REL:preceded_by" xsd:string -property_value: IAO:0000111 "preceded by" xsd:string -property_value: IAO:0000116 "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other." xsd:string -property_value: IAO:0000118 "is preceded by" xsd:string -property_value: IAO:0000118 "preceded_by" xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000003 ! occurrent -holds_over_chain: BFO:0000050 BFO:0000062 -is_transitive: true -is_a: RO:0002086 ! ends after -inverse_of: BFO:0000063 ! precedes +[Term] +id: NMR:1000070 +name: FID fourier transformation +is_a: NMR:1400041 ! time domain data processing +property_value: skos:definition "The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems." xsd:string -[Typedef] -id: BFO:0000063 -name: precedes -def: "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] -subset: ro-eco -property_value: IAO:0000111 "precedes" xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000003 ! occurrent -holds_over_chain: BFO:0000050 BFO:0000063 -is_transitive: true -is_a: RO:0002222 ! temporally related to +[Term] +id: NMR:1000071 +name: phase correction +synonym: "phasing" EXACT [] +synonym: "spectral phasing" EXACT [] +is_a: NMR:1400038 ! frequency domain data processing -[Typedef] -id: IAO:0000136 -name: is about -def: "A (currently) primitive relation that relates an information artifact to an entity." [] -property_value: IAO:0000112 "This document is about information artifacts and their representations" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "7/6/2009 Alan Ruttenberg. Following discussion with Jonathan Rees, and introduction of \"mentions\" relation. Weaken the is_about relationship to be primitive. \n\nWe will try to build it back up by elaborating the various subproperties that are more precisely defined.\n\nSome currently missing phenomena that should be considered \"about\" are predications - \"The only person who knows the answer is sitting beside me\" , Allegory, Satire, and other literary forms that can be topical without explicitly mentioning the topic." xsd:string -property_value: IAO:0000117 "person:Alan Ruttenberg" xsd:string -property_value: IAO:0000119 "Smith, Ceusters, Ruttenberg, 2000 years of philosophy" xsd:string +[Term] +id: NMR:1000072 +name: peak integration +is_a: NMR:1000015 ! peak processing -[Typedef] -id: OBI:0000293 -name: has_specified_input -def: "The inverse property of is_specified_input_of" [] -property_value: IAO:0000111 "has_specified_input" xsd:string -property_value: IAO:0000111 "has_specified_input" xsd:string -property_value: IAO:0000112 "see is_input_of example_of_usage" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works." xsd:string -property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Larry Hunter" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Coutot" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl -is_a: RO:0000057 ! has participant +[Term] +id: NMR:1000073 +name: peak alignment +is_a: NMR:1000015 ! peak processing -[Typedef] -id: OBI:0000295 -name: is_specified_input_of -def: "A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of." [] -property_value: IAO:0000111 "is_specified_input_of" xsd:string -property_value: IAO:0000112 "some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string -is_a: RO:0000056 ! participates in +[Term] +id: NMR:1000074 +name: peak shape fitting +is_a: NMR:1000258 ! peak fitting -[Typedef] -id: OBI:0000299 -name: has_specified_output -def: "The inverse property of is_specified_output_of" [] -property_value: IAO:0000111 "has_specified_output" xsd:string -property_value: IAO:0000111 "has_specified_output" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Larry Hunter" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl -is_a: RO:0000057 ! has participant +[Term] +id: NMR:1000075 +name: spectral referencing +is_a: NMR:1400038 ! frequency domain data processing -[Typedef] -id: OBI:0000312 -name: is_specified_output_of -def: "A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of." [] -property_value: IAO:0000111 "is_specified_output_of" xsd:string -property_value: IAO:0000111 "is_specified_output_of" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl -is_a: RO:0000056 ! participates in +[Term] +id: NMR:1000077 +name: obsolete_sodium trimethylsilyl-propionate +synonym: "TMSP" EXACT [] +synonym: "trimethylsilyl propanoic acid" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: dce:source "Pohl, L.; Eckle, M. (1969). \"Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.\". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811" xsd:string +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85363 -[Typedef] -id: OBI:0000417 -name: achieves_planned_objective -def: "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process." [] -property_value: IAO:0000111 "achieves_planned_objective" xsd:string -property_value: IAO:0000112 "A cell sorting process achieves the objective specification 'material separation objective'" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "BP, AR, PPPB branch" xsd:string -property_value: IAO:0000119 "PPPB branch derived" xsd:string -property_value: IAO:0000232 "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch" xsd:string +[Term] +id: NMR:1000078 +name: linear scaling +comment: used to be 'linear scaling algorithm' +is_a: NMR:1000079 ! scaling -[Typedef] -id: RO:0000052 -name: characteristic of -def: "a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence." [] -comment: Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. -property_value: IAO:0000111 "inheres in" xsd:string -property_value: IAO:0000112 "this fragility is a characteristic of this vase" xsd:string -property_value: IAO:0000112 "this red color is a characteristic of this apple" xsd:string -property_value: IAO:0000118 "inheres_in" xsd:string -property_value: RO:0001900 RO:0001901 -is_functional: true -is_a: RO:0002314 ! characteristic of part of -inverse_of: RO:0000053 ! has characteristic +[Term] +id: NMR:1000079 +name: scaling +comment: used to be called 'scaling algorithm' +is_a: NMR:1400038 ! frequency domain data processing -[Typedef] -id: RO:0000053 -name: has characteristic -def: "Inverse of characteristic_of" [] -property_value: IAO:0000111 "bearer of" xsd:string -property_value: IAO:0000112 "this apple is bearer of this red color" xsd:string -property_value: IAO:0000112 "this vase is bearer of this fragility" xsd:string -property_value: IAO:0000116 "A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist." xsd:string -property_value: IAO:0000118 "bearer_of" xsd:string -property_value: IAO:0000118 "is bearer of" xsd:string -property_value: RO:0001900 RO:0001901 -range: BFO:0000020 ! specifically dependent continuant -is_inverse_functional: true +[Term] +id: NMR:1000080 +name: non-linear scaling +comment: used to be postfixed with algorithm +is_a: NMR:1000079 ! scaling -[Typedef] -id: RO:0000056 -name: participates in -def: "a relation between a continuant and a process, in which the continuant is somehow involved in the process" [] -property_value: IAO:0000111 "participates in" xsd:string -property_value: IAO:0000112 "this blood clot participates in this blood coagulation" xsd:string -property_value: IAO:0000112 "this input material (or this output material) participates in this process" xsd:string -property_value: IAO:0000112 "this investigator participates in this investigation" xsd:string -property_value: IAO:0000118 "participates_in" xsd:string -domain: BFO:0000002 ! continuant -range: BFO:0000003 ! occurrent -inverse_of: RO:0000057 ! has participant +[Term] +id: NMR:1000081 +name: total spectral area scaling +is_a: NMR:1000078 ! linear scaling -[Typedef] -id: RO:0000057 -name: has participant -def: "a relation between a process and a continuant, in which the continuant is somehow involved in the process" [] -property_value: http://purl.org/dc/terms/source "http://www.obofoundry.org/ro/#OBO_REL:has_participant" xsd:string -property_value: IAO:0000111 "has participant" xsd:string -property_value: IAO:0000112 "this blood coagulation has participant this blood clot" xsd:string -property_value: IAO:0000112 "this investigation has participant this investigator" xsd:string -property_value: IAO:0000112 "this process has participant this input material (or this output material)" xsd:string -property_value: IAO:0000116 "Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time." xsd:string -property_value: IAO:0000118 "has_participant" xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000002 ! continuant -holds_over_chain: BFO:0000051 RO:0000057 +[Term] +id: NMR:1000082 +name: probabilistic quotient normalization +is_a: NMR:1000078 ! linear scaling +property_value: dce:source "Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90." xsd:string -[Typedef] -id: RO:0000079 -name: function of -def: "a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this catalysis function is a function of this enzyme" xsd:string -property_value: IAO:0000116 "A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists." xsd:string -property_value: IAO:0000118 "function_of" xsd:string -property_value: IAO:0000118 "is function of" xsd:string -domain: BFO:0000034 ! function -is_a: RO:0000052 ! characteristic of -inverse_of: RO:0000085 ! has function +[Term] +id: NMR:1000083 +name: scaling by generalized logarithmic transformation +synonym: "glog scaling" EXACT [] +is_a: NMR:1000080 ! non-linear scaling -[Typedef] -id: RO:0000080 -name: quality of -def: "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this red color is a quality of this apple" xsd:string -property_value: IAO:0000116 "A quality inheres in its bearer at all times for which the quality exists." xsd:string -property_value: IAO:0000118 "is quality of" xsd:string -property_value: IAO:0000118 "quality_of" xsd:string -is_a: RO:0000052 ! characteristic of -inverse_of: RO:0000086 ! has quality +[Term] +id: NMR:1000084 +name: pareto scaling +is_a: NMR:1000080 ! non-linear scaling -[Typedef] -id: RO:0000081 -name: role of -def: "a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this investigator role is a role of this person" xsd:string -property_value: IAO:0000116 "A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists." xsd:string -property_value: IAO:0000118 "is role of" xsd:string -property_value: IAO:0000118 "role_of" xsd:string -is_a: RO:0000052 ! characteristic of -inverse_of: RO:0000087 ! has role +[Term] +id: NMR:1000085 +name: autoscaling +is_a: NMR:1000080 ! non-linear scaling -[Typedef] -id: RO:0000085 -name: has function -def: "a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)" xsd:string -property_value: IAO:0000116 "A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists." xsd:string -property_value: IAO:0000118 "has_function" xsd:string -domain: BFO:0000004 ! independent continuant -range: BFO:0000034 ! function -is_a: RO:0000053 ! has characteristic +[Term] +id: NMR:1000086 +name: 2D J-resolved spectrum +synonym: "JRES spectrum" EXACT [] +is_a: NMR:1400162 ! 2D spectrum -[Typedef] -id: RO:0000086 -name: has quality -def: "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this apple has quality this red color" xsd:string -property_value: IAO:0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist." xsd:string -property_value: IAO:0000118 "has_quality" xsd:string -range: BFO:0000019 ! quality -is_a: RO:0000053 ! has characteristic +[Term] +id: NMR:1000087 +name: MetaboLab software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://www.biomedcentral.com/1471-2105/12/366#B2" xsd:string -[Typedef] -id: RO:0000087 -name: has role -def: "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this person has role this investigator role (more colloquially: this person has this role of investigator)" xsd:string -property_value: IAO:0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists." xsd:string -property_value: IAO:0000118 "has_role" xsd:string -domain: BFO:0000004 ! independent continuant -range: BFO:0000023 ! role -is_a: RO:0000053 ! has characteristic +[Term] +id: NMR:1000088 +name: Metaboquant software +is_a: NMR:1000090 ! open source NMR software -[Typedef] -id: RO:0000091 -name: has disposition -def: "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence" [] -domain: BFO:0000004 ! independent continuant -range: BFO:0000016 ! disposition -is_a: RO:0000053 ! has characteristic -inverse_of: RO:0000092 ! disposition of +[Term] +id: NMR:1000089 +name: rNMR software +is_a: NMR:1000090 ! open source NMR software -[Typedef] -id: RO:0000092 -name: disposition of -def: "inverse of has disposition" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -subset: RO:0002259 -is_a: RO:0000052 ! characteristic of +[Term] +id: NMR:1000090 +name: open source NMR software +is_a: NMR:1400213 ! NMR software -[Typedef] -id: RO:0002013 -name: has regulatory component activity -def: "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B." [] -is_a: RO:0002017 ! has component activity -is_a: RO:0002334 ! regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:30:46Z +[Term] +id: NMR:1000091 +name: commercial NMR software +is_a: NMR:1400213 ! NMR software -[Typedef] -id: RO:0002014 -name: has negative regulatory component activity -def: "A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B." [] -comment: By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. -is_a: RO:0002013 ! has regulatory component activity -is_a: RO:0002335 ! negatively regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:31:01Z +[Term] +id: NMR:1000092 +name: NMRLab software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208." xsd:string -[Typedef] -id: RO:0002015 -name: has positive regulatory component activity -def: "A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B." [] -comment: By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. -is_a: RO:0002013 ! has regulatory component activity -is_a: RO:0002336 ! positively regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:31:17Z +[Term] +id: NMR:1000093 +name: NMRPipe software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293." xsd:string -[Typedef] -id: RO:0002017 -name: has component activity -comment: A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. -is_a: RO:0002018 ! has component process -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:44:33Z +[Term] +id: NMR:1000094 +name: matNMR software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. " xsd:string -[Typedef] -id: RO:0002018 -name: has component process -def: "w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] -domain: BFO:0000015 ! process -range: BFO:0000015 ! process -is_a: RO:0002180 ! has component -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:49:21Z +[Term] +id: NMR:1000095 +name: concentration of chemical compound +is_a: NMR:1000861 ! chemical compound attribute -[Typedef] -id: RO:0002022 -name: directly regulated by -comment: Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. {xref="https://orcid.org/0000-0002-7073-9172"} -is_a: RO:0002334 ! regulated by -inverse_of: RO:0002578 ! directly regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:24Z +[Term] +id: NMR:1000096 +name: manual phase correction +is_a: NMR:1000071 ! phase correction -[Typedef] -id: RO:0002023 -name: directly negatively regulated by -def: "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." [https://orcid.org/0000-0002-7073-9172] -is_a: RO:0002022 ! directly regulated by -inverse_of: RO:0002630 ! directly negatively regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:38Z +[Term] +id: NMR:1000097 +name: automatic phase correction +is_a: NMR:1000071 ! phase correction -[Typedef] -id: RO:0002024 -name: directly positively regulated by -def: "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." [https://orcid.org/0000-0002-7073-9172] -is_a: RO:0002022 ! directly regulated by -inverse_of: RO:0002629 ! directly positively regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:47Z +[Term] +id: NMR:1000098 +name: DC offset correction +is_a: NMR:1000071 ! phase correction -[Typedef] -id: RO:0002025 -name: has effector activity -def: "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." [https://orcid.org/0000-0002-7073-9172] -comment: This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. -is_functional: true -is_a: RO:0002017 ! has component activity -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-22T14:14:36Z +[Term] +id: NMR:1000099 +name: Gibbs multiplication +is_a: NMR:1400038 ! frequency domain data processing +property_value: dce:source "http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366" xsd:string -[Typedef] -id: RO:0002086 -name: ends after -comment: X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) -subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -is_transitive: true -is_a: RO:0002222 ! temporally related to +[Term] +id: NMR:1000100 +name: skyline projection +is_a: NMR:1400075 ! spectral projection -[Typedef] -id: RO:0002087 -name: immediately preceded by -comment: X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000118 "starts_at_end_of" xsd:string -is_a: BFO:0000062 ! preceded by -inverse_of: RO:0002090 ! immediately precedes +[Term] +id: NMR:1000101 +name: shifted sine window function +synonym: "shifted sine apodization" EXACT [] +is_a: NMR:1400071 ! sine window function -[Typedef] -id: RO:0002090 -name: immediately precedes -comment: X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) -subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-7073-9172 -property_value: IAO:0000118 "ends_at_start_of" xsd:string -property_value: IAO:0000118 "meets" xsd:string -property_value: RO:0002575 BFO:0000063 -is_a: BFO:0000063 ! precedes +[Term] +id: NMR:1000102 +name: sinc window multiplication of FID (1D) +synonym: "SINC" EXACT [] +synonym: "Sinc window multiplication" EXACT [] +is_a: NMR:1400068 ! window function for apodization -[Typedef] -id: RO:0002131 -name: overlaps -def: "x overlaps y if and only if there exists some z such that x has part z and z part of y" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_gocam -subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: RO:0001900 RO:0001901 -holds_over_chain: BFO:0000050 BFO:0000050 -holds_over_chain: BFO:0000051 BFO:0000050 {RO:0002582="true"} -holds_over_chain: BFO:0000051 RO:0002131 -is_symmetric: true -is_a: RO:0002323 ! mereotopologically related to -transitive_over: BFO:0000050 ! part of -expand_expression_to: "http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)" [] +[Term] +id: NMR:1000103 +name: SEM window function +synonym: "combined sine-bell–exponential window function" EXACT [] +is_a: NMR:1400068 ! window function for apodization +property_value: dce:source "http://www.sciencedirect.com/science/article/pii/S0003267008000950" xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues/36" xsd:string -[Typedef] -id: RO:0002180 -name: has component -def: "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] -subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity." xsd:string -property_value: IAO:0000232 "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit." xsd:string -property_value: RO:0001900 RO:0001901 -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:Componency -is_a: BFO:0000051 ! has part +[Term] +id: NMR:1000104 +name: trapezoid window function +comment: Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0\n -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization. +synonym: "TRAP" EXACT [] +synonym: "trapezoid apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization -[Typedef] -id: RO:0002211 -name: regulates -def: "p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0001-7476-6306 -property_value: IAO:0000117 https://orcid.org/0000-0002-3837-8864 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 "GO" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000232 "Regulation precludes parthood; the regulatory process may not be within the regulated process." xsd:string -property_value: IAO:0000589 "regulates (processual)" xsd:string -property_value: IAO:0000600 "false" xsd:boolean -domain: BFO:0000015 ! process -range: BFO:0000015 ! process -holds_over_chain: RO:0002578 RO:0002578 -is_transitive: true -is_a: RO:0002411 ! causally upstream of -inverse_of: RO:0002334 ! regulated by -transitive_over: RO:0002025 ! has effector activity +[Term] +id: NMR:1000105 +name: shifted gaussian window function +is_a: NMR:1400070 ! Gaussian window function -[Typedef] -id: RO:0002212 -name: negatively regulates -def: "p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "negatively regulates (process to process)" xsd:string -property_value: RO:0004050 RO:0002211 -is_a: RO:0002211 ! regulates -is_a: RO:0002305 ! causally upstream of, negative effect -inverse_of: RO:0002335 ! negatively regulated by +[Term] +id: NMR:1000106 +name: baseline correction using spline function +is_a: NMR:1400074 ! baseline correction -[Typedef] -id: RO:0002213 -name: positively regulates -def: "p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "positively regulates (process to process)" xsd:string -property_value: RO:0004049 RO:0002211 -holds_over_chain: RO:0002212 RO:0002212 -is_transitive: true -is_a: RO:0002211 ! regulates -is_a: RO:0002304 ! causally upstream of, positive effect -inverse_of: RO:0002336 ! positively regulated by +[Term] +id: NMR:1000107 +name: heteronuclear single quantum coherence spectrum +synonym: "HSQC NMR spectrum" EXACT [] +is_a: NMR:1400162 ! 2D spectrum -[Typedef] -id: RO:0002215 -name: capable of -def: "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. " [] -subset: ro-eco -property_value: IAO:0000112 "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)" xsd:string -property_value: IAO:0000112 "osteoclast SubClassOf 'capable of' some 'bone resorption'" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "has function realized in" xsd:string -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20123131 -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/21208450 -property_value: IAO:0000232 "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\"." xsd:string -domain: BFO:0000004 ! independent continuant -range: BFO:0000015 ! process -is_a: RO:0002216 ! capable of part of +[Term] +id: NMR:1000108 +name: Zangger-Sterk pulse sequence +is_a: NMR:1400037 ! NMR pulse sequence -[Typedef] -id: RO:0002216 -name: capable of part of -def: "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "has function in" xsd:string -property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/reflexivity/ -holds_over_chain: RO:0002215 BFO:0000050 {RO:0002582="true"} -is_a: RO:0002328 ! functionally related to -is_a: RO:0002500 ! causal agent in process +[Term] +id: NMR:1000109 +name: pure shift 1D Zangger-Sterk pulse sequence +is_a: NMR:1000108 ! Zangger-Sterk pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/256" xsd:string -[Typedef] -id: RO:0002222 -name: temporally related to -comment: A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. -subset: ro-eco -property_value: http://purl.org/dc/terms/source "https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1" xsd:anyURI -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 https://en.wikipedia.org/wiki/Allen%27s_interval_algebra -property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends." xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000003 ! occurrent +[Term] +id: NMR:1000110 +name: oneshot pulse sequence +is_a: NMR:1400037 ! NMR pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/264" xsd:string -[Typedef] -id: RO:0002233 -name: has input -def: "p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "consumes" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Has_input" xsd:anyURI -domain: BFO:0000015 ! process -is_a: RO:0000057 ! has participant -inverse_of: RO:0002352 ! input of +[Term] +id: NMR:1000111 +name: pure shift oneshot pulse sequence +is_a: NMR:1000110 ! oneshot pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/265" xsd:string -[Typedef] -id: RO:0002263 -name: acts upstream of -def: "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: IAO:0000112 "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision." xsd:string -property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of -holds_over_chain: RO:0002327 RO:0002411 -is_a: RO:0002264 ! acts upstream of or within +[Term] +id: NMR:1000112 +name: perfect echo watergate pulse sequence +synonym: "PE Watergate pulse sequence" EXACT [] +is_a: NMR:1400037 ! NMR pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/285" xsd:string + +[Term] +id: NMR:1000113 +name: NMR Star 3.1 file format +is_a: NMR:1400285 ! NMR software data format + +[Term] +id: NMR:1000114 +name: NMR Star 2.1 file format +is_a: NMR:1400285 ! NMR software data format + +[Term] +id: NMR:1000115 +name: 3D spectrum +synonym: "three dimensional spectrum" EXACT [] +is_a: NMR:1000117 ! NMR spectrum by dimensionality + +[Term] +id: NMR:1000116 +name: 4D spectrum +synonym: "four dimensional spectrum" EXACT [] +is_a: NMR:1000117 ! NMR spectrum by dimensionality + +[Term] +id: NMR:1000117 +name: NMR spectrum by dimensionality +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000120 +name: homonuclear chemical shift spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000121 +name: heteronuclear chemical shift spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000122 +name: Bruker instrument model +namespace: NMR +def: "Bruker instrument model." [MSI:NMR] +is_a: NMR:1000031 ! NMR instrument model + +[Term] +id: NMR:1000123 +name: homonuclear exchange spectroscopy spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000124 +name: heteronuclear exchange spectroscopy spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000128 +name: homonuclear J-resolved spectrum +is_a: NMR:1000086 ! 2D J-resolved spectrum + +[Term] +id: NMR:1000129 +name: heteronuclear J-resolved spectrum +is_a: NMR:1000086 ! 2D J-resolved spectrum + +[Term] +id: NMR:1000130 +name: calibration test spectrum +is_a: NMR:1000200 ! NMR spectrum by processing step + +[Term] +id: NMR:1000131 +name: NMR star software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000132 +name: Felix software +is_a: NMR:1000091 ! commercial NMR software +property_value: dce:source "http://www.felixnmr.com/" xsd:string + +[Term] +id: NMR:1000133 +name: PIPP software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000134 +name: TALOS+ software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000135 +name: CYANA software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://www.cyana.org/wiki/index.php/Main_Page" xsd:string + +[Term] +id: NMR:1000136 +name: XPLOR-NIH software +is_a: NMR:1400213 ! NMR software +property_value: dce:source "http://nmr.cit.nih.gov/xplor-nih/" xsd:string + +[Term] +id: NMR:1000137 +name: computed concentration +is_a: NMR:1000095 ! concentration of chemical compound +property_value: skos:editorialNote "request these in UO ?" xsd:string + +[Term] +id: NMR:1000138 +name: XEASY software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY" xsd:string + +[Term] +id: NMR:1000139 +name: sparky software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000140 +name: CARA software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://nmr-software.blogspot.de/2007/04/cara.html" xsd:string + +[Term] +id: NMR:1000141 +name: Wattos software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000142 +name: MADNMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000143 +name: Pronto software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000144 +name: TRIAD NMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000145 +name: library based computed concentration +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000146 +name: Lorenzian estimated concentration +comment: https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing +synonym: "Lorenzian (-Integration) (Modeled Area) Estimated Concentration" EXACT [] +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000147 +name: measured area based concentration +synonym: "Measured Area (Integration) based Concentration" EXACT [] +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000148 +name: time-domain amplitude computed concentration +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000149 +name: group time delay compensation +is_a: NMR:1400041 ! time domain data processing +property_value: seeAlso "http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html" xsd:string +property_value: skos:definition "This is independent of the bruker acquisition parameter named \"GRPDLY\" (Group Delay), but this is a \"shift\" applied on the fid to calibrate its zero" xsd:string + +[Term] +id: NMR:1000150 +name: scaling by forward linear prediction +is_a: NMR:1000068 ! data extrapolation using linear prediction + +[Term] +id: NMR:1000151 +name: back calculation of first points by linear-prediction +is_a: NMR:1000068 ! data extrapolation using linear prediction + +[Term] +id: NMR:1000152 +name: scaling by mirror image linear prediction +is_a: NMR:1000068 ! data extrapolation using linear prediction + +[Term] +id: NMR:1000153 +name: digital filtering +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000154 +name: 3D strip plot generation +is_a: NMR:1000435 ! plot and graph generation +property_value: dce:source "http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html" xsd:string +property_value: IAO:0000119 "Daniel Schober" xsd:string +property_value: skos:definition "A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins.\nThe first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus." xsd:string + +[Term] +id: NMR:1000155 +name: Batman software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000156 +name: JEOL instrument model +is_a: NMR:1000031 ! NMR instrument model + +[Term] +id: NMR:1000157 +name: tecmag instrument model +is_a: NMR:1000031 ! NMR instrument model + +[Term] +id: NMR:1000158 +name: automatic baseline recognition +is_a: NMR:1400074 ! baseline correction +property_value: dce:source "Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43" xsd:string +property_value: dce:source "Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125" xsd:string + +[Term] +id: NMR:1000159 +name: obsolete_Trimethylsilyl propionate +synonym: "TSP" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85363 + +[Term] +id: NMR:1000160 +name: TMIC lab pulse sequence +synonym: "pulse sequence from Wishart lab library" EXACT [] +is_a: NMR:1400037 ! NMR pulse sequence + +[Term] +id: NMR:1000161 +name: probe gradient strength +is_a: NMR:1400027 ! field strength + +[Term] +id: NMR:1000162 +name: NMR acquisition computer operating system +is_a: NMR:1400213 ! NMR software +property_value: dce:coverage "e.g. Linux or Windows, ..." xsd:string + +[Term] +id: NMR:1000163 +name: NMR autosampler software +is_a: NMR:1400213 ! NMR software +property_value: dce:coverage "e.g. Bruker Biospin ICON-NMR" xsd:string + +[Term] +id: NMR:1000164 +name: Bruker Biospin ICON-NMR software +is_a: NMR:1000163 ! NMR autosampler software +property_value: seeAlso "http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html" xsd:string + +[Term] +id: NMR:1000165 +name: buffer pH +is_a: NMR:1002011 ! pH + +[Term] +id: NMR:1000166 +name: field frequency lock +synonym: "lock frequency" EXACT [] +is_a: NMR:1000548 ! sample attribute +property_value: dce:coverage "e.g. heavy water (D2O)" xsd:string + +[Term] +id: NMR:1000167 +name: concentration calibration compound +def: "A calibration compound that has a role concentration calibration compound in nuclear magnetic resonance (NMR) spectroscopy." [] +synonym: "quantitation standard" EXACT [] +is_a: NMR:1400032 ! calibration compound +intersection_of: NMR:1400032 ! calibration compound +intersection_of: has_role NMR:0002007 ! NMR concentration calibration compound role +relationship: has_role NMR:0002007 ! NMR concentration calibration compound role +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000168 +name: NMR acquisition software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000169 +name: CIMR MI standard +is_a: NMR:1000900 ! minimum information standard + +[Term] +id: NMR:1000170 +name: signal line width check +is_a: NMR:1400116 ! NMR quality check + +[Term] +id: NMR:1000171 +name: signal line width at five percent intensity check +is_a: NMR:1000170 ! signal line width check + +[Term] +id: NMR:1000172 +name: NMR spectrum descriptor +is_a: BFO:0000031 ! generically dependent continuant + +[Term] +id: NMR:1000173 +name: pulse width +is_a: NMR:1000190 ! pulse parameter + +[Term] +id: NMR:1000174 +name: hard pulse width +is_a: NMR:1000173 ! pulse width + +[Term] +id: NMR:1000175 +name: sweep width +synonym: "spectrum width" EXACT [] +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000176 +name: number of data points +synonym: "number of data points in spectrum" EXACT [] +synonym: "number of first dimension data points" EXACT [] +is_a: NMR:1000013 ! 1D spectrum coordinate system descriptor + +[Term] +id: NMR:1000177 +name: x end value +def: "tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum." [] +is_a: NMR:1000013 ! 1D spectrum coordinate system descriptor + +[Term] +id: NMR:1000178 +name: y-axis type +is_a: NMR:1000013 ! 1D spectrum coordinate system descriptor + +[Term] +id: NMR:1000179 +name: center of bin on x-axis +synonym: "bucket x center" EXACT [] +is_a: NMR:1002014 ! binned spectrum descriptor + +[Term] +id: NMR:1000180 +name: spectral quantitation algorithm +synonym: "NMR spectrum quantification method" EXACT [] +is_a: NMR:1002014 ! binned spectrum descriptor + +[Term] +id: NMR:1000181 +name: NMRProcFlow software +def: "The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization." [] +is_a: NMR:1000090 ! open source NMR software +property_value: foaf:homepage "http://www.nmrprocflow.org/" xsd:string + +[Term] +id: NMR:1000182 +name: Bayesil software +def: "Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture." [] +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219." xsd:string +property_value: foaf:homepage "http://bayesil.ca/" xsd:string + +[Term] +id: NMR:1000183 +name: nmrML Assign +def: "nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format." [] +comment: Uses JspectraView Software +is_a: NMR:1000182 ! Bayesil software +property_value: foaf:homepage "http://nmrml.bayesil.ca/" xsd:string + +[Term] +id: NMR:1000184 +name: doublet feature +synonym: "d" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000185 +name: triplet feature +synonym: "t" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000186 +name: quatruplet feature +synonym: "q" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000188 +name: cluster of peaks across samples +def: "a set of peaks that are highly correlated in a series of samples" [] +is_a: NMR:1000524 ! data file content +property_value: dce:coverage "a feature request by Daniel Jacob inserted at IBP hackathon" xsd:string + +[Term] +id: NMR:1000189 +name: simulated spectrum +is_a: NMR:1000200 ! NMR spectrum by processing step + +[Term] +id: NMR:1000190 +name: pulse parameter +is_a: NMR:1400101 ! parameter + +[Term] +id: NMR:1000191 +name: JEOL FID format +is_a: NMR:1000767 ! FID format + +[Term] +id: NMR:1000192 +name: doublet of doublets feature +synonym: "dd" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000193 +name: ABX multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: foaf:homepage "http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm" xsd:string +property_value: skos:definition "AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods." xsd:string + +[Term] +id: NMR:1000194 +name: singlet feature +synonym: "s" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000195 +name: quintet feature +synonym: "qi" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000196 +name: doublet of triplets +synonym: "dt" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000197 +name: triplet of douplets +synonym: "td" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000198 +name: triplet of triplets +synonym: "tt" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000199 +name: NMR spectrum by pulse sequence +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000200 +name: NMR spectrum by processing step +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000201 +name: 2D spectrum coordinate system descriptor +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000202 +name: y-axis value type +is_a: NMR:1000201 ! 2D spectrum coordinate system descriptor +property_value: seeAlso "the subclasses come from the Rubtsov specification" xsd:string + +[Term] +id: NMR:1000203 +name: power value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000204 +name: magnitude value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000205 +name: real value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000206 +name: imaginary value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000207 +name: complex value types +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000208 +name: spectral projection axis +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000209 +name: f1 axis +is_a: NMR:1000208 ! spectral projection axis + +[Term] +id: NMR:1000210 +name: f2 axis +is_a: NMR:1000208 ! spectral projection axis + +[Term] +id: NMR:1000211 +name: NMR Format converter +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000212 +name: BML-NMR identifier +is_a: NMR:1000022 ! metabolomics database identifier + +[Term] +id: NMR:1000214 +name: DEPRECATED creatinine +comment: DEPRECATED will be further specified via a concentration value +comment: Not considered relevant anymore. +is_obsolete: true + +[Term] +id: NMR:1000220 +name: 2D pulse sequence +is_a: NMR:1400037 ! NMR pulse sequence + +[Term] +id: NMR:1000221 +name: data simulation +comment: used to be labeled 'NMR spectrum simulation' +is_a: NMR:1400063 ! data transformation + +[Term] +id: NMR:1000222 +name: dynamic nuclear polarization NMR instrument +synonym: "DNP NMR" EXACT [] +synonym: "dynamic nuclear polarization enhanced NMR system" EXACT [] +is_a: NMR:1400059 ! NMR instrument + +[Term] +id: NMR:1000223 +name: chemical shift +def: "Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis" [] +is_a: NMR:1000172 ! NMR spectrum descriptor +property_value: dce:source "http://en.wikipedia.org/wiki/Chemical_shift" xsd:string + +[Term] +id: NMR:1000224 +name: nmr signal intensity +def: "an information object that describes the strength of the NMR signal" [] +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000225 +name: baseline correction using polynomial function +is_a: NMR:1400074 ! baseline correction + +[Term] +id: NMR:1000226 +name: first transient of the tnnoesy-presaturation pulse sequence +is_a: NMR:1000220 ! 2D pulse sequence + +[Term] +id: NMR:1000227 +name: Varian acquisition parameter file +is_a: NMR:1002006 ! acquisition parameter file + +[Term] +id: NMR:1000228 +name: procpar +is_a: NMR:1000252 ! Varian processing parameter file + +[Term] +id: NMR:1000229 +name: acqus +is_a: NMR:1000230 ! Bruker acquisition parameter file + +[Term] +id: NMR:1000230 +name: Bruker acquisition parameter file +is_a: NMR:1002006 ! acquisition parameter file + +[Term] +id: NMR:1000231 +name: peak feature +namespace: NMR +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000232 +name: global +is_a: NMR:1000227 ! Varian acquisition parameter file + +[Term] +id: NMR:1000233 +name: Varian autosampler +is_a: NMR:1400002 ! NMR autosampler + +[Term] +id: NMR:1000234 +name: Varian SMS 50 +is_a: NMR:1000233 ! Varian autosampler + +[Term] +id: NMR:1000235 +name: Varian probe +is_a: NMR:1400014 ! NMR probe + +[Term] +id: NMR:1000236 +name: 5mm HCN probe +is_a: NMR:1000237 ! Varian liquid cold probe + +[Term] +id: NMR:1000237 +name: Varian liquid cold probe +is_a: NMR:1000235 ! Varian probe + +[Term] +id: NMR:1000238 +name: reference compound NMR spectrum +comment: e.g as in HMDB +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000239 +name: Mestrelab software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000240 +name: ACD spectrus software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000241 +name: Mat NMR 3 software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000242 +name: NMRLab software +is_a: NMR:1000531 ! software + +[Term] +id: NMR:1000243 +name: Spinworks NMR software +is_a: NMR:1000531 ! software + +[Term] +id: NMR:1000244 +name: NMR software vendor +is_a: NMR:1001267 ! software vendor + +[Term] +id: NMR:1000245 +name: Spinworks +is_a: NMR:1000244 ! NMR software vendor + +[Term] +id: NMR:1000246 +name: iNMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000247 +name: NMR pipe +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000248 +name: cule NMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000249 +name: Matlab to nmrML converter +comment: By Batman/ Tim Ebbels Group +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Matlab" xsd:string + +[Term] +id: NMR:1000250 +name: Bruker processing parameter file +is_a: NMR:1400123 ! processing parameter file + +[Term] +id: NMR:1000251 +name: procs +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000252 +name: Varian processing parameter file +is_a: NMR:1400123 ! processing parameter file + +[Term] +id: NMR:1000253 +name: Madison Metabolomics Consortium Database MMCD identifier +comment: PRS: rename 'identifyer' to 'identifier' +is_a: NMR:1000022 ! metabolomics database identifier +property_value: dce:source "http://mmcd.nmrfam.wisc.edu/" xsd:string + +[Term] +id: NMR:1000254 +name: Bigg metabolomics database identifier +is_a: NMR:1000022 ! metabolomics database identifier +property_value: dce:source "http://bigg.ucsd.edu/" xsd:string + +[Term] +id: NMR:1000255 +name: Lorentz Gaussian window function +comment: Functional form:\n gm(x_i) = exp(e - g*g)\n Where: e = pi*i*g1\n g = 0.6*pi*g2*(g3*(size-1)-i)\n Parameters:\n * data Array of spectral data.\n * g1 Inverse exponential width.\n * g2 Gaussian broaden width.\n * g3 Location of gauss maximum.\n * inv Set True for inverse apodization. +synonym: "Lorentz-to-Gauss apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000256 +name: traf window function +synonym: "TRAF" EXACT [] +synonym: "Transform of Reverse Added FIDs" EXACT [] +is_a: NMR:1400068 ! window function for apodization +property_value: skos:definition "A Window function described by Daniel Traficante in their original paper." xsd:string + +[Term] +id: NMR:1000257 +name: trafs window function +synonym: "TRAFS" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000258 +name: peak fitting +is_a: NMR:1000015 ! peak processing + +[Term] +id: NMR:1000259 +name: peak assignment +is_a: NMR:1000015 ! peak processing + +[Term] +id: NMR:1000260 +name: deconvolution +is_a: NMR:1000015 ! peak processing + +[Term] +id: NMR:1000261 +name: chemical shift sorting +def: "A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks." [] +is_a: NMR:1400038 ! frequency domain data processing + +[Term] +id: NMR:1000262 +name: fid file +is_a: NMR:1000264 ! Bruker FID file + +[Term] +id: NMR:1000263 +name: Varian FID file +is_a: NMR:1400119 ! FID file + +[Term] +id: NMR:1000264 +name: Bruker FID file +is_a: NMR:1400119 ! FID file + +[Term] +id: NMR:1000265 +name: ERVA-based bucketing +comment: Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing +is_a: NMR:1400138 ! bucketing +property_value: dce:source "Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061" xsd:string + +[Term] +id: NMR:1000266 +name: cluster of peaks +is_a: NMR:1002014 ! binned spectrum descriptor + +[Term] +id: NMR:1000267 +name: Match NMR tube +is_a: NMR:1000271 ! Bruker tube + +[Term] +id: NMR:1000268 +name: shaped tube +is_a: NMR:1000271 ! Bruker tube + +[Term] +id: NMR:1000269 +name: Shigemi tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000270 +name: standard tube +is_a: NMR:1000271 ! Bruker tube + +[Term] +id: NMR:1000271 +name: Bruker tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000272 +name: JEOL magnet +is_a: NMR:1400185 ! NMR magnet +property_value: foaf:homepage "http://www.jeolusa.com/PRODUCTS/Nuclear-Magnetic-Resonance/Magnets" xsd:string + +[Term] +id: NMR:1000273 +name: JEOL ECS magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000274 +name: JEOL ECA magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000275 +name: JEOL ECX magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000276 +name: Varian NMR software +is_a: NMR:1000091 ! commercial NMR software + +[Term] +id: NMR:1000277 +name: VnmrJ software +is_a: NMR:1000276 ! Varian NMR software + +[Term] +id: NMR:1000278 +name: Wilmad tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000283 +name: 4mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000284 +name: 2.5mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000285 +name: 3mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000286 +name: 5mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000287 +name: 1mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000288 +name: 1.7mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000289 +name: 2mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000290 +name: 4.25mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000291 +name: 3mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000292 +name: 5mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000293 +name: 1mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000294 +name: 1.7mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000295 +name: Wilmad economy tube +is_a: NMR:1000278 ! Wilmad tube + +[Term] +id: NMR:1000296 +name: Wilmad precision tube +is_a: NMR:1000278 ! Wilmad tube + +[Term] +id: NMR:1000297 +name: Norell tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000298 +name: JEOL FID file +is_a: NMR:1400119 ! FID file + +[Term] +id: NMR:1000299 +name: nmRIO +comment: R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R" xsd:string + +[Term] +id: NMR:1000300 +name: rNMR-IO +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R\\rNMR-IO" xsd:string + +[Term] +id: NMR:1000301 +name: Vendor2nmrML_Java +def: "Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data.\nAs nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed.\n\nThe first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files.\n\nThe second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step." [] +comment: Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion. +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Java\\converter" xsd:string + +[Term] +id: NMR:1000302 +name: Varian magnet +synonym: "Agilent magnet" EXACT [] +is_a: NMR:1400185 ! NMR magnet + +[Term] +id: NMR:1000303 +name: premium compact narrow bore magnet +is_a: NMR:1000302 ! Varian magnet + +[Term] +id: NMR:1000304 +name: premium shielded narrow bore magnet +is_a: NMR:1000302 ! Varian magnet + +[Term] +id: NMR:1000305 +name: premium shielded wide bore magnet +is_a: NMR:1000302 ! Varian magnet + +[Term] +id: NMR:1000306 +name: modified Gaussian window function +comment: Functional form:\n gmb(x_i) = exp(-a*i - b*i*i)\n Parameters:\n * data Array of spectral data.\n * a Exponential term.\n * b Gaussian term.\n * inv Set True for inverse apodization. +synonym: "modified gaussian apodization" EXACT [] +is_a: NMR:1400070 ! Gaussian window function + +[Term] +id: NMR:1000307 +name: exponentially damped J-modulation window function +comment: Functional form:\n jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1))\n Parameters:\n * data Array of spectral data.\n * e Exponential term.\n * off Start of modulation in fraction of pi radians.\n * end End of modulation in fraction of pi radians.\n * inv Set True for inverse apodization +synonym: "exponentially damped J-modulation apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000308 +name: shifted sine bell window function +comment: Functional form:\n sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow\n Parameters:\n * data Array of spectral data.\n * start Start of Sine-Bell as percent of vector (0.0 -> 1.0)\n * end End of Sine-Bell as percent of vector (0.0 -> 1.0 )\n * pow Power of Sine-Bell\n * inv Set True for inverse apodization. +synonym: "shifted sine-bell apodization" EXACT [] +is_a: NMR:1400071 ! sine window function + +[Term] +id: NMR:1000309 +name: triangle window function +comment: Functional form:\n 0:loc linear increase/decrease from lHi to 1.0\n loc: linear increase/decrease from 1.0 to rHi\n\n Parameters:\n * data Array of spectral data.\n * loc Location of apex, "auto" sets to middle.\n * lHi Left side starting height.\n * rHi Right side starting height.\n * inv Set True for inverse apodization. +synonym: "triangle apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000310 +name: acquisition log file +def: "The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry." [] +is_a: NMR:1400267 ! data file + +[Term] +id: NMR:1000311 +name: PynmrML +comment: A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton. +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\python" xsd:string + +[Term] +id: NMR:1000312 +name: MetaboAnalyst software +def: "A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources." [] +comment: Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380 +is_a: NMR:1400213 ! NMR software +property_value: foaf:homepage "www.metaboanalyst.ca" xsd:string + +[Term] +id: NMR:1000313 +name: acqu2s +is_a: NMR:1000230 ! Bruker acquisition parameter file + +[Term] +id: NMR:1000314 +name: acqu3s +is_a: NMR:1000230 ! Bruker acquisition parameter file + +[Term] +id: NMR:1000315 +name: proc2s +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000316 +name: proc3s +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000317 +name: NMR spectrum file +is_a: NMR:1400267 ! data file + +[Term] +id: NMR:1000318 +name: Bruker NMR spectrum file +is_a: NMR:1000317 ! NMR spectrum file + +[Term] +id: NMR:1000319 +name: 1R file +is_a: NMR:1000318 ! Bruker NMR spectrum file + +[Term] +id: NMR:1000320 +name: title file +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000321 +name: XEASY software +def: "A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes." [] +is_a: NMR:1400213 ! NMR software +property_value: dce:source "Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486" xsd:string + +[Term] +id: NMR:1000322 +name: NMR spectrum vizualisation software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000323 +name: JspectraView software +comment: Used in NMR Assign tool for Baysil +is_a: NMR:1000322 ! NMR spectrum vizualisation software + +[Term] +id: NMR:1000324 +name: cryoprobe +is_a: NMR:1400014 ! NMR probe + +[Term] +id: NMR:1000325 +name: inverse detection NMR probe +is_a: NMR:1400014 ! NMR probe + +[Term] +id: NMR:1000326 +name: 5mm inverse detection cryoprobe +is_a: NMR:1000236 ! 5mm HCN probe +is_a: NMR:1000324 ! cryoprobe +is_a: NMR:1000325 ! inverse detection NMR probe +is_a: NMR:1400243 ! solid NMR probe + +[Term] +id: NMR:1000327 +name: NMRViewer software +comment: Developed by Daniel Jacob, INRA Bordeaux +is_a: NMR:1000322 ! NMR spectrum vizualisation software +property_value: dce:source "Git: nmrML\\tools\\Visualizers\\PMB_NMRviewer" xsd:string +property_value: skos:example "http://services.cbib.u-bordeaux2.fr/SPECNMR/examples" xsd:string + +[Term] +id: NMR:1000328 +name: material processing +is_a: BFO:0000015 ! process + +[Term] +id: NMR:1000329 +name: AB multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000330 +name: NMR solvent (molecular entity) {skos:editorialNote="We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI."} +def: "A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy" [] +is_a: CHEBI:23367 {is_inferred="true"} ! molecular entity +intersection_of: CHEBI:23367 ! molecular entity +intersection_of: has_role CHEBI:197449 ! NMR solvent +relationship: has_role CHEBI:197449 ! NMR solvent +property_value: IAO:0000111 "NMR solvent" xsd:string + +[Term] +id: NMR:1000331 +name: NMR buffer +comment: Use Chebi entities here. +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: NMR:1000332 +name: presat water suppression +is_a: NMR:1400066 ! pre-acquisition water suppression + +[Term] +id: NMR:1000333 +name: Varian VNMRS 600 +is_a: NMR:1000395 ! Varian VNMRS instrument + +[Term] +id: NMR:1000334 +name: data content encoding +is_a: NMR:1000343 ! data encoding parameter + +[Term] +id: NMR:1000335 +name: data compression scheme +is_a: NMR:1000343 ! data encoding parameter + +[Term] +id: NMR:1000336 +name: byte format +is_a: NMR:1000334 ! data content encoding + +[Term] +id: NMR:1000337 +name: zlib +is_a: NMR:1000341 ! binary data compression type + +[Term] +id: NMR:1000338 +name: complex64 +is_a: NMR:1000336 ! byte format +property_value: skos:definition "This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values." xsd:string + +[Term] +id: NMR:1000339 +name: complex128 +is_a: NMR:1000336 ! byte format +property_value: skos:definition "This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values." xsd:string + +[Term] +id: NMR:1000341 +name: binary data compression type +is_a: NMR:1000335 ! data compression scheme + +[Term] +id: NMR:1000342 +name: AB2 multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000343 +name: data encoding parameter +is_a: NMR:1400101 ! parameter + +[Term] +id: NMR:1000344 +name: uncompressed data +is_a: NMR:1000341 ! binary data compression type + +[Term] +id: NMR:1000345 +name: digital signal processing firmware version +def: "DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer" [] +synonym: "DSPFVS" EXACT [] +is_a: NMR:1000496 ! instrument attribute + +[Term] +id: NMR:1000346 +name: decimation factor +def: "DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid." [] +synonym: "DECIM" EXACT [] +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000347 +name: group time delay +def: "GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. \"The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.\")" [] +synonym: "GRPDLY" EXACT [] +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000348 +name: NMR sampling strategy +is_a: NMR:1001954 ! NMR acquisition parameter +property_value: skos:definition "a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition." xsd:string + +[Term] +id: NMR:1000349 +name: uniform sampling +synonym: "continuous sampling" EXACT [] +is_a: NMR:1000348 ! NMR sampling strategy +property_value: skos:definition "With uniform sampling, each sample is separated by the \"dwell time\"." xsd:string +property_value: skos:editorialNote "With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform" xsd:string + +[Term] +id: NMR:1000350 +name: non-uniform sampling +synonym: "sparse sampling" EXACT [] +is_a: NMR:1000348 ! NMR sampling strategy +property_value: dce:source "http://link.springer.com/chapter/10.1007%2F1-4020-3910-7_142#page-1" xsd:string +property_value: skos:definition "with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data." xsd:string +property_value: skos:editorialNote "Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly" xsd:string + +[Term] +id: NMR:1000352 +name: Bruker XWIN-NMR software +is_a: NMR:1000168 ! NMR acquisition software + +[Term] +id: NMR:1000353 +name: software attribute +is_a: BFO:0000031 ! generically dependent continuant + +[Term] +id: NMR:1000354 +name: NMR software version +is_a: NMR:1000353 ! software attribute + +[Term] +id: NMR:1000355 +name: ABX3 multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000356 +name: AA'BB' multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000357 +name: AA'XX' multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000358 +name: variable size bucketing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000359 +name: uniform bucketing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000360 +name: intelligent bucketing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000361 +name: bucket importing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000362 +name: bucket resetting +comment: put in as reqired by NMRProcFlow tool +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000363 +name: global baseline correction +comment: as needed for nmrProcFlow +is_a: NMR:1400074 ! baseline correction + +[Term] +id: NMR:1000364 +name: local baseline correction +comment: as needed for nmrProcFlow +is_a: NMR:1400074 ! baseline correction + +[Term] +id: NMR:1000365 +name: bucket fusioning +is_a: NMR:1000362 ! bucket resetting + +[Term] +id: NMR:1000368 +is_a: oboInOwl:ObsoleteClass + +[Term] +id: NMR:1000369 +name: JNM-ECZR Series FT NMR instrument +is_a: NMR:1400226 ! JEOL NMR instrument +property_value: skos:definition "JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies.\nImproved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories.\nThe bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control.\n400 MHz - 1 GHz" xsd:string + +[Term] +id: NMR:1000370 +name: JNM-ECZS Series FT NMR instrument +is_a: NMR:1400226 ! JEOL NMR instrument +property_value: skos:definition "The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer.\nCoupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class.\nWhatever your application field ECZS can demonstrate its power.\n400 MHz" xsd:string + +[Term] +id: NMR:1000371 +name: AVANCE III HD +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000372 +name: NanoBay400 MHz +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000373 +name: Fourier 300HD +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000374 +name: DNP-NMR +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000376 +name: LC-NMR instrument +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000377 +name: LC-NMR/MS instrument +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000378 +name: Food-Screener instrument +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000379 +name: AVANCE IVDr +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000380 +name: JEOL Resonance 400MHz YH magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000381 +name: JEOL Resonance 500MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000382 +name: JEOL Resonance 600MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000383 +name: JEOL Resonance 700MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000384 +name: JEOL Resonance 800MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000385 +name: single peak feature +is_a: NMR:1000231 ! peak feature + +[Term] +id: NMR:1000386 +name: NMR instrument vendor +is_a: NMR:1000496 ! instrument attribute +property_value: skos:definition "Any organisation ort person that sells NMR instruments to customers." xsd:string + +[Term] +id: NMR:1000387 +name: Avance I spectrometer +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000394 +name: Varian Inova 500 +is_a: NMR:1400236 ! Varian INOVA + +[Term] +id: NMR:1000395 +name: Varian VNMRS instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000396 +name: Varian Mercury plus +is_a: NMR:1400235 ! Varian MERCURY + +[Term] +id: NMR:1000397 +name: Varian UnityInova instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000398 +name: Varian 400-MR NMR instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000399 +name: Varian DDR2 instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000400 +name: Agilent NMR instrument +is_a: NMR:1400059 ! NMR instrument + +[Term] +id: NMR:1000401 +name: Agilent 400-MR NMR instrument +is_a: NMR:1000400 ! Agilent NMR instrument + +[Term] +id: NMR:1000402 +name: Varian Mercury 400 +is_a: NMR:1400235 ! Varian MERCURY + +[Term] +id: NMR:1000403 +name: Agilent Au 400 (DDR2 Console) +is_a: NMR:1000400 ! Agilent NMR instrument + +[Term] +id: NMR:1000404 +name: Agilent DDR 2 w/ HCN cryoprobe +is_a: NMR:1000400 ! Agilent NMR instrument + +[Term] +id: NMR:1000405 +name: BMRB identifier +is_a: NMR:1000022 ! metabolomics database identifier + +[Term] +id: NMR:1000406 +name: left trapezoid limit +comment: 02x4bytes=> 2 integers) for the FID datatype." xsd:string + +[Term] +id: NMR:1000409 +name: complex128 Integer +is_a: NMR:1000336 ! byte format +property_value: skos:definition "This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype." xsd:string + +[Term] +id: NMR:1000410 +name: right trapezoid limit +comment: 0 growth" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -holds_over_chain: RO:0002215 RO:0002211 -is_a: RO:0002500 ! causal agent in process +id: RO:0002350 +name: member of +def: "is member of is a mereological relation between a item and a collection." [] +property_value: IAO:0000112 "An organism that is a member of a population of organisms" xsd:string +property_value: IAO:0000118 "is member of" xsd:string +property_value: IAO:0000118 "member part of" xsd:string +property_value: IAO:0000119 "SIO" xsd:string +property_value: RO:0001900 RO:0001901 +is_a: BFO:0000050 ! part of +inverse_of: RO:0002351 ! has member [Typedef] -id: RO:0002597 -name: capable of negatively regulating -def: "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p." [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -holds_over_chain: RO:0002215 RO:0002212 -is_a: RO:0002596 ! capable of regulating +id: RO:0002351 +name: has member +def: "has member is a mereological relation between a collection and an item." [] +property_value: IAO:0000119 "SIO" xsd:string +property_value: RO:0001900 RO:0001901 +is_a: has_part ! has part [Typedef] -id: RO:0002598 -name: capable of positively regulating -def: "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p." [] -property_value: IAO:0000112 "renin -> arteriolar smooth muscle contraction" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -holds_over_chain: RO:0002215 RO:0002213 -is_a: RO:0002596 ! capable of regulating +id: RO:0002502 +name: depends on +property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 +property_value: seeAlso BFO:0000169 [Typedef] -id: RO:0002608 -name: process has causal agent -def: "Inverse of 'causal agent in process'" [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -is_a: RO:0002410 ! causally related to +id: RO:0010001 +name: generically depends on +def: "A generically dependent continuant *b* generically depends on an independent continuant *c* at time *t* means: there inheres in *c* a specifically deendent continuant which concretizes *b* at *t*." [] +synonym: "g-depends on" EXACT [] +property_value: IAO:0000112 "Genetic information generically depend on molecules of DNA." xsd:string +property_value: IAO:0000112 "The novel *War and Peace* generically depends on this copy of the novel." xsd:string +property_value: IAO:0000112 "The pattern shared by chess boards generically depends on any chess board." xsd:string +property_value: IAO:0000112 "The score of a symphony g-depends on a copy of the score." xsd:string +property_value: IAO:0000112 "This pdf file generically depends on this server." xsd:string +property_value: IAO:0000119 "[072-ISO]" xsd:string +domain: BFO:0000031 ! generically dependent continuant +range: BFO:0000004 ! independent continuant +holds_over_chain: RO:0000052 RO:0000058 +inverse_of: RO:0010002 ! is carrier of [Typedef] -id: RO:0002629 -name: directly positively regulates -def: "p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly positively regulates (process to process)" xsd:string -property_value: RO:0004049 RO:0002578 -property_value: seeAlso "https://wiki.geneontology.org/Directly_positively_regulates" xsd:anyURI -is_a: RO:0002213 ! positively regulates -is_a: RO:0002578 ! directly regulates +id: RO:0010002 +name: is carrier of +def: "*b* is carrier of *c* at time *t* if and only if *c* *g-depends on* *b* at *t*" [] +property_value: IAO:0000112 "Molecules of DNA are carriers of genetic information." xsd:string +property_value: IAO:0000112 "This copy of *War and Peace* is carrier of the novel written by Tolstoy." xsd:string +property_value: IAO:0000112 "This hard drive is carrier of these data items." xsd:string +property_value: IAO:0000119 "[072-ISO]" xsd:string +domain: BFO:0000004 ! independent continuant +range: BFO:0000031 ! generically dependent continuant +holds_over_chain: RO:0000059 RO:0000053 [Typedef] -id: RO:0002630 -name: directly negatively regulates -def: "p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q." [] +id: has_part +name: has part +namespace: chebi_ontology +def: "a core relation that holds between a whole and its part" [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly negatively regulates (process to process)" xsd:string -property_value: RO:0004050 RO:0002578 -property_value: seeAlso "https://wiki.geneontology.org/Directly_negatively_regulates" xsd:anyURI -is_a: RO:0002212 ! negatively regulates -is_a: RO:0002578 ! directly regulates - -[Typedef] -id: RO:0004031 -name: enables subfunction -def: "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P." [] -holds_over_chain: RO:0002327 BFO:0000051 -is_a: RO:0002328 ! functionally related to -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-25T23:20:13Z - -[Typedef] -id: RO:0004032 -name: acts upstream of or within, positive effect -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004049 RO:0002264 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0004047 -is_a: RO:0002264 ! acts upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:49:30Z - -[Typedef] -id: RO:0004033 -name: acts upstream of or within, negative effect -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004050 RO:0002264 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0004046 -is_a: RO:0002264 ! acts upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:49:51Z - -[Typedef] -id: RO:0004034 -name: acts upstream of, positive effect -def: "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004049 RO:0002263 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_positive_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0002304 -is_a: RO:0002263 ! acts upstream of -is_a: RO:0004032 ! acts upstream of or within, positive effect -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:53:14Z - -[Typedef] -id: RO:0004035 -name: acts upstream of, negative effect -def: "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004050 RO:0002263 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_negative_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0002305 -is_a: RO:0002263 ! acts upstream of -is_a: RO:0004033 ! acts upstream of or within, negative effect -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:53:22Z - -[Typedef] -id: RO:0004046 -name: causally upstream of or within, negative effect -property_value: RO:0004050 RO:0002418 -property_value: seeAlso "https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect" xsd:anyURI -is_a: RO:0002418 ! causally upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-03-13T23:55:05Z - -[Typedef] -id: RO:0004047 -name: causally upstream of or within, positive effect -property_value: RO:0004049 RO:0002418 -property_value: seeAlso https://wiki.geneontology.org/Causally_upstream_of_or_within,_positive_effect -is_a: RO:0002418 ! causally upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-03-13T23:55:19Z - -[Typedef] -id: RO:0011002 -name: regulates activity of -def: "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B." [] -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 -domain: BFO:0000040 ! material entity -range: BFO:0000040 ! material entity -is_a: RO:0002566 ! causally influences - -[Typedef] -id: RO:0012011 -name: indirectly causally upstream of -def: "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q." [] -is_a: RO:0002411 ! causally upstream of -created_by: https://orcid.org/0000-0003-1813-6857 -creation_date: 2022-09-26T06:07:17Z - -[Typedef] -id: RO:0012012 -name: indirectly regulates -def: "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q." [] -is_a: RO:0002211 ! regulates -is_a: RO:0012011 ! indirectly causally upstream of -created_by: https://orcid.org/0000-0003-1813-6857 -creation_date: 2022-09-26T06:08:01Z - -[Typedef] -id: RO:0017001 -name: device utilizes material -def: "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y." [] -synonym: "utilizes" BROAD [] -property_value: IAO:0000112 "A diagnostic testing device utilizes a specimen." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0001-9625-1899 -property_value: IAO:0000117 https://orcid.org/0000-0003-2620-0345 -property_value: IAO:0000232 "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input." xsd:string -property_value: IAO:0000232 "See github ticket https://github.com/oborel/obo-relations/issues/497" xsd:string -holds_over_chain: RO:0002215 RO:0002233 -creation_date: 2021-11-08T12:00:00Z - -[Typedef] -id: RO:0019000 -name: regulates characteristic -def: "A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C." [] -property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 -domain: BFO:0000015 ! process -range: PATO:0000001 -holds_over_chain: RO:0002211 RO:0019000 -is_a: RO:0002410 ! causally related to - -[Typedef] -id: RO:0019001 -name: positively regulates characteristic -def: "A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C." [] -property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 -holds_over_chain: RO:0002213 RO:0019001 -is_a: RO:0019000 ! regulates characteristic +xref: BFO:0000051 +property_value: IAO:0000111 "has part" xsd:string +property_value: IAO:0000112 "my body has part my brain (continuant parthood, two material entities)" xsd:string +property_value: IAO:0000112 "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" xsd:string +property_value: IAO:0000112 "this year has part this day (occurrent parthood)" xsd:string +property_value: IAO:0000116 "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." xsd:string +property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string +property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string +property_value: IAO:0000118 "has_part" xsd:string +property_value: RO:0001900 RO:0001901 +is_cyclic: false +is_transitive: true +is_a: RO:0002131 ! overlaps [Typedef] -id: RO:0019002 -name: negatively regulates characteristic -def: "A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C." [] -property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 -holds_over_chain: RO:0002212 RO:0019001 -holds_over_chain: RO:0002213 RO:0019002 -is_a: RO:0019000 ! regulates characteristic +id: has_role +name: has role +namespace: chebi_ontology +def: "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence" [] +xref: RO:0000087 +property_value: IAO:0000112 "this person has role this investigator role (more colloquially: this person has this role of investigator)" xsd:string +property_value: IAO:0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists." xsd:string +property_value: IAO:0000118 "has_role" xsd:string +domain: BFO:0000004 ! independent continuant +range: BFO:0000023 ! role +is_cyclic: false +is_transitive: false +is_a: RO:0000053 ! has characteristic diff --git a/nmrCV-full.owl b/nmrCV-full.owl index 5619d87..56d71eb 100644 --- a/nmrCV-full.owl +++ b/nmrCV-full.owl @@ -1,28 +1,89 @@ - - - + + + Annick Moing + Catherine Deborde + Daniel Jacob + Daniel Schober + Joseph Cruz + Michael Wilson + Philippe Rocca-Serra + Reza Salek + Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen + Steffen Neumann + Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project. This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. nuclear magnetic resonance CV - 2023-11-23 + This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments. + https://github.com/nmrML/nmrML/issues + Daniel Schober + https://github.com/nmrML/nmrML + https://github.com/nmrML/nmrCV + https://groups.google.com/forum/?hl=en#!forum/nmrml/join + https://www.wikidata.org/wiki/Q96678459 + http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo + 2.0_alpha + 2025-02-18 @@ -145,9 +206,30 @@ We don't have definitions of 'meaning' or 'expression' Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. + 2012-04-05: +Barry Smith + +The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. + +Can you fix to something like: + +A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. + +Alan Ruttenberg + +Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. + +On the specifics of the proposed definition: + +We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. + +Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. + +We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> + definition definition @@ -769,97 +851,143 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + A serial number such as "12324X"; a stop sign; a written proper name such as "OBI + An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity. + + + 2024-03-25 + has symbol + + + + - + - - + + If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. + is a defining property chain axiom where second argument is reflexive - + - + - + - + + + - + - - If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL - is a defining property chain axiom + + - + - - If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. - is a defining property chain axiom where second argument is reflexive + + - + - + + + - + - + + + - + - + + + - + - + - + - + - + - - - + - + - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -979,9 +1107,9 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + - + @@ -993,6 +1121,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1015,9 +1149,45 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + @@ -1033,6 +1203,18 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + + + + + + + @@ -1045,12 +1227,24 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + + + + + + + @@ -1066,7 +1260,15 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + disease characteristic (MONDO:0021125) has cross-reference (http://www.geneontology.org/formats/oboInOwl#hasDbXref) "NCIT:C41009"^^xsd:string + An annotation property that links an ontology entity or a statement to a prefixed identifier or URI. + + + 2024-03-18 + database_cross_reference + has cross-reference + @@ -1077,6 +1279,7 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] https://github.com/information-artifact-ontology/ontology-metadata/issues/20 has exact synonym + has_exact_synonym https://github.com/information-artifact-ontology/ontology-metadata/issues/20 @@ -1098,7 +1301,17 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + has_obo_format_version + + + + + + + + has_obo_namespace + @@ -1115,21 +1328,57 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + + + + + + + - + @@ -1151,9 +1400,33 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + + + + + + + + + + + + + + + + + + + + + + + + - + @@ -1252,59 +1525,53 @@ A continuant cannot be part of an occurrent: use 'participates in'. An A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part + BFO:0000051 + chebi_ontology + has_part + false + has_part + has part has part - - - - - - - + - - - - - - - - - - - preceded by - x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. - An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. - is preceded by - preceded_by - http://www.obofoundry.org/ro/#OBO_REL:preceded_by - - preceded by + + + + + realized in + this disease is realized in this disease course + this fragility is realized in this shattering + this investigator role is realized in this investigation + is realized by + realized_in + [copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) + Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process + + realized in - + - - - - - - - - - - precedes - x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. - - precedes + + + + realizes + this disease course realizes this disease + this investigation realizes this investigator role + this shattering realizes this fragility + to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) + Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process + + realizes @@ -1312,6 +1579,7 @@ A continuant cannot have an occurrent as part: use 'participates in'. + This document is about information artifacts and their representations A (currently) primitive relation that relates an information artifact to an entity. @@ -1330,24 +1598,19 @@ Some currently missing phenomena that should be considered "about" are - - - - - - has_specified_input - has_specified_input + + + has specified input see is_input_of example_of_usage - The inverse property of is_specified_input_of + The inverse property of is specified input of 8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works. PERSON: Alan Ruttenberg PERSON: Bjoern Peters PERSON: Larry Hunter PERSON: Melanie Coutot - - has_specified_input + has specified input @@ -1356,13 +1619,14 @@ Some currently missing phenomena that should be considered "about" are - is_specified_input_of + + is specified input of some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of. Alan Ruttenberg PERSON:Bjoern Peters - is_specified_input_of + is specified input of @@ -1370,22 +1634,35 @@ Some currently missing phenomena that should be considered "about" are - - - - - - has_specified_output - has_specified_output + + + has specified output - The inverse property of is_specified_output_of + The inverse property of is specified output of PERSON: Alan Ruttenberg PERSON: Bjoern Peters PERSON: Larry Hunter PERSON: Melanie Courtot - - has_specified_output + has specified output + + + + + + + + + + is_manufactured_by + http://www.affymetrix.com/products/arrays/specific/hgu133.affx is_manufactered_by http://www.affymetrix.com/ (if we decide to use these URIs for the actual entities) + + c is_manufactured_by o means that there was a process p in which c was built in which a person, or set of people or machines did the work(bore the "Manufacturer Role", and those people/and or machines were members or of directed by the organization to do this. + Alan Ruttenberg + Liju Fan + has_make + has_manufacturer + is_manufactured_by @@ -1394,14 +1671,13 @@ Some currently missing phenomena that should be considered "about" are - is_specified_output_of - is_specified_output_of + + is specified output of A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of. Alan Ruttenberg PERSON:Bjoern Peters - - is_specified_output_of + is specified output of @@ -1409,10 +1685,13 @@ Some currently missing phenomena that should be considered "about" are + + + achieves_planned_objective A cell sorting process achieves the objective specification 'material separation objective' - This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process. + This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process. BP, AR, PPPB branch PPPB branch derived modified according to email thread from 1/23/09 in accordince with DT and PPPB branch @@ -1421,6 +1700,21 @@ Some currently missing phenomena that should be considered "about" are + + + + + + objective_achieved_by + + This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process. + OBI + OBI + objective_achieved_by + + + + @@ -1479,6 +1773,11 @@ Some currently missing phenomena that should be considered "about" are + + + + + @@ -1496,9 +1795,30 @@ Some currently missing phenomena that should be considered "about" are + + + + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). + An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). + A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants. + is concretized as + + + + - + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). + An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). + A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. + concretizes + @@ -1519,22 +1839,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - - this red color is a quality of this apple - a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence - A quality inheres in its bearer at all times for which the quality exists. - is quality of - quality_of - This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. - quality of - - - - @@ -1566,20 +1870,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - - this apple has quality this red color - a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence - A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. - has_quality - has quality - - - - @@ -1590,223 +1880,19 @@ Some currently missing phenomena that should be considered "about" are a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has_role + RO:0000087 + chebi_ontology + has_role + false + false + has_role + has role has role - - - - - - - - a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence - has disposition - - - - - - - - - inverse of has disposition - - This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. - disposition of - - - - - - - - - - A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B. - - 2017-05-24T09:30:46Z - has regulatory component activity - - - - - - - - - - A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B. - - 2017-05-24T09:31:01Z - By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. - has negative regulatory component activity - - - - - - - - - - A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B. - - 2017-05-24T09:31:17Z - By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. - has positive regulatory component activity - - - - - - - - - - 2017-05-24T09:44:33Z - A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. - has component activity - - - - - - - - - - - w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. - - 2017-05-24T09:49:21Z - has component process - - - - - - - - - - - 2017-09-17T13:52:24Z - Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. - directly regulated by - - - - - Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. - - - - - - - - - - - Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. - - 2017-09-17T13:52:38Z - directly negatively regulated by - - - - - Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. - - - - - - - - - - - Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. - - 2017-09-17T13:52:47Z - directly positively regulated by - - - - - Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. - - - - - - - - - - - A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. - - 2017-09-22T14:14:36Z - This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. - has effector activity - - - - - A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. - - - - - - - - - - - David Osumi-Sutherland - - X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) - ends after - - - - - - - - - - David Osumi-Sutherland - starts_at_end_of - X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) - immediately preceded by - - - - - - - - - - David Osumi-Sutherland - ends_at_start_of - meets - - - X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) - immediately precedes - - - - - + @@ -1848,250 +1934,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - - w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. - The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity. - For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit. - - - has component - - - - - - - - - - - - - - - - - - - - - - p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q. - - - - - GO - Regulation precludes parthood; the regulatory process may not be within the regulated process. - regulates (processual) - false - - - - regulates - - - - - - - - - - - p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q. - - - negatively regulates (process to process) - - - - - negatively regulates - - - - - - - - - - - - - - - - p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q. - - - positively regulates (process to process) - - - - - positively regulates - - - - - - - - - - - mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974) - osteoclast SubClassOf 'capable of' some 'bone resorption' - A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. - - has function realized in - - - For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)". - - capable of - - - - - - - - - - - - - - c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p. - - has function in - capable of part of - - - - - - - - - - true - - - - - - - - - - - - - Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends. - https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 - - A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. - temporally related to - - - - - - - - - - - - p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p. - - consumes - - - - - has input - https://wiki.geneontology.org/Has_input - - - - - - - - - - - - - A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision. - c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes. - - acts upstream of - - - - - - - - - - - - - - A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway. - c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process. - affects - - acts upstream of or within - https://wiki.geneontology.org/Acts_upstream_of_or_within - - - - - - - - - - p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q. - - - - - holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y - causally upstream of, positive effect - - - - - - - - - - - p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q. - - - - - causally upstream of, negative effect - - - - - @@ -2137,8050 +1979,29481 @@ Some currently missing phenomena that should be considered "about" are - + - - - - - - - - - - - - a particular instances of akt-2 enables some instance of protein kinase activity - c enables p iff c is capable of p and c acts to execute p. - - catalyzes - executes - has - is catalyzing - is executing - This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized. - - enables - https://wiki.geneontology.org/Enables + + + + An organism that is a member of a population of organisms + is member of is a mereological relation between a item and a collection. + is member of + member part of + SIO + + member of - + - - A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities. - - This is a grouping relation that collects relations used for the purpose of connecting structure and function - functionally related to + + + has member is a mereological relation between a collection and an item. + SIO + + has member - + - - - - - - - this relation holds between c and p when c is part of some c', and c' is capable of p. + - false - part of structure that is capable of + depends on + - - - - - - - - true - - + - - - - - - - + + + + - - + + - c involved_in p if and only if c enables some process p', and p' is part of p - - actively involved in - enables part of - involved in - https://wiki.geneontology.org/Involved_in + Genetic information generically depend on molecules of DNA. + The novel *War and Peace* generically depends on this copy of the novel. + The pattern shared by chess boards generically depends on any chess board. + The score of a symphony g-depends on a copy of the score. + This pdf file generically depends on this server. + A generically dependent continuant *b* generically depends on an independent continuant *c* at time *t* means: there inheres in *c* a specifically deendent continuant which concretizes *b* at *t*. + [072-ISO] + g-depends on + generically depends on - + - - - - inverse of enables - - - enabled by - https://wiki.geneontology.org/Enabled_by + + + + + + + + Molecules of DNA are carriers of genetic information. + This copy of *War and Peace* is carrier of the novel written by Tolstoy. + This hard drive is carrier of these data items. + *b* is carrier of *c* at time *t* if and only if *c* *g-depends on* *b* at *t* + [072-ISO] + is carrier of - + - - - - - - inverse of regulates - - regulated by (processual) - - regulated by - - + - - - inverse of negatively regulates - - - negatively regulated by - - + + + + + + + + + + + + + + + + + + + + A molecular entity that has a characterized compound role in nuclear magnetic resonance (NMR) spectroscopy. + + + 2024-08-21T15:06:17Z + characterized compound + + - + - - - inverse of positively regulates - - - positively regulated by - + + + A role which inheres in a molecular entity being characterized in an NMR sample using data acquired from an NMR analysis. + + + 2024-08-21T15:10:29Z + NMR characterized compound role + - + - + + + + + + + + + + + + + + + + + + + + A calibration compound that has a chemical shift calibration compound role in nuclear magnetic resonance (NMR) spectroscopy. + + + 2024-08-22T14:49:21Z + chemical shift calibration compound + - + - - - - inverse of has input - - - - input of - + + + A role which inheres in a molecular entity that produces one or more peaks used to calibrate the NMR spectrometer and/or the spectrum. + + + 2024-08-22T15:10:11Z + NMR calibration compound role + + + + + + Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds. + + - + - - - - - - inverse of upstream of - - causally downstream of - + + + A role which inheres in a calibration compound that produces one or more peaks used for chemical shift calibration. + + + 2024-08-22T15:12:21Z + NMR chemical shift calibration compound role + + + + + + Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds. + + - + - - - - - - - immediately causally downstream of - + + + A role which inheres in a calibration compound of a known concentration that produces one or more peaks used to calibrate a spectrum for quantification. + + + 2024-08-22T15:15:36Z + NMR concentration calibration compound role + - + - - - - - - - - - - - - - - - - - - - - - p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q. - - indirectly activates - - indirectly positively regulates - https://wiki.geneontology.org/Indirectly_positively_regulates - + + + A chemical shift reference compound used for 3H spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. + 3H spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 3H spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - - - - - - - p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q. - - indirectly inhibits - - indirectly negatively regulates - https://wiki.geneontology.org/Indirectly_negatively_regulates - + + + A chemical shift reference compound used for 3He spectra according to IUPAC recommendations. + + + 2024-08-22T18:14:29Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3He spectra. The children of this class were manually asserted. + 3He spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 3He spectra according to IUPAC recommendations. + + + - + - - relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. - This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. + + + A chemical shift reference compound used for 19F spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 19F spectra. The children of this class were manually asserted. + 19F spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 19F spectra according to IUPAC recommendations. + + + + -To define causal relations in an activity-flow type network, we make use of 3 primitives: - * Temporal: how do the intervals of the two occurrents relate? - * Is the causal relation regulatory? - * Is the influence positive or negative? + -The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. + + + A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 29Si spectra. The children of this class were manually asserted. + 29Si spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations. + + + + -For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. -For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. + -Each of these 3 primitives can be composed to yield a cross-product of different relation types. - - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - causally related to - + + + A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 57Fe spectra. The children of this class were manually asserted. + 57Fe spectrum chemical shift reference compound + - + - relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. - https://en.wikipedia.org/wiki/Causality + A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations. + + - + - - - - - p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q. - - - - causally upstream of - + + + A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 77Se spectra. The children of this class were manually asserted. + 77Se spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations. + + + - + - - - - p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q. - - - immediately causally upstream of - + + + A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 89Y spectra. The children of this class were manually asserted. + 89Y spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations. + + + - + - - - - - p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q. - We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2 - - influences (processual) - affects - causally upstream of or within - + + + A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 103Rh spectra. The children of this class were manually asserted. + 103Rh spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations. + + + - + - - - - inverse of causally upstream of or within - - - - causally downstream of or within - + + + A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 107Ag spectra. The children of this class were manually asserted. + 107Ag spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - - c involved in regulation of p if c is involved in some p' and p' regulates some p - - involved in regulation of - + + + A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 109Ag spectra. The children of this class were manually asserted. + 109Ag spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - c involved in regulation of p if c is involved in some p' and p' positively regulates some p - - - involved in positive regulation of - + + + A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 111Cd spectra. The children of this class were manually asserted. + 111Cd spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - c involved in regulation of p if c is involved in some p' and p' negatively regulates some p - - - involved in negative regulation of - + + + A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113Cd spectra. The children of this class were manually asserted. + 113Cd spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations. + + + - + - - - - - c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p - OWL does not allow defining object properties via a Union - - involved in or reguates - involved in or involved in regulation of - + + + A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115Sn spectra. The children of this class were manually asserted. + 115Sn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations. + + + - + - - - - - A relationship that holds between two entities in which the processes executed by the two entities are causally connected. - This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact. - Considering relabeling as 'pairwise interacts with' - - Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules. - in pairwise interaction with - - interacts with - http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ - http://purl.obolibrary.org/obo/MI_0914 - + + + A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 117Sn spectra. The children of this class were manually asserted. + 117Sn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations. + + + - + - - - - An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other. - - binds - molecularly binds with - molecularly interacts with - - http://purl.obolibrary.org/obo/MI_0915 - + + + A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 119Sn spectra. The children of this class were manually asserted. + 119Sn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations. + + + - + - - - Axiomatization to GO to be added later - - An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y. - phosphorylates - + + + A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Te spectra. The children of this class were manually asserted. + 123Te spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations. + + + - - - - - - - - - - - - - The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. + -A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B. - - - molecularly controls - directly regulates activity of - + + + A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 125Te spectra. The children of this class were manually asserted. + 125Te spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B. - - - directly inhibits - molecularly decreases activity of - directly negatively regulates activity of - + + + A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 129Xe spectra. The children of this class were manually asserted. + 129Xe spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B. - - - directly activates - molecularly increases activity of - directly positively regulates activity of - + + + A chemical shift reference compound used for 183W spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 183W spectra. The children of this class were manually asserted. + 183W spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 183W spectra according to IUPAC recommendations. + + + - + - - - This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning. - helper property (not for use in curation) - + + + A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Os spectra. The children of this class were manually asserted. + 187Os spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations. + + + - + - - - - is kinase activity - + + + A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 195Pt spectra. The children of this class were manually asserted. + 195Pt spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations. + + + - + - - - - A relationship between a material entity and a process where the material entity has some causal role that influences the process - - causal agent in process - + + + A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 199Hg spectra. The children of this class were manually asserted. + 199Hg spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations. + + + - + - - - - - p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q. - - - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - causal relation between processes - + + + A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 203Ti spectra. The children of this class were manually asserted. + 203Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations. + + + - + - - - depends on - - + + + A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 205Ti spectra. The children of this class were manually asserted. + 205Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations. + + + - + - - - - - The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch - - - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - causal relation between entities - + + + A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 207Pb spectra. The children of this class were manually asserted. + 207Pb spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations. + + + - + - - - - - - causally influenced by (entity-centric) - causally influenced by - + + + A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 59Co spectra. The children of this class were manually asserted. + 59Co spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations. + + - + - - - - interaction relation helper property - - http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ - + + + A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 55Mn spectra. The children of this class were manually asserted. + 55Mn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations. + + - + - - - - molecular interaction relation helper property - + + + A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 53Cr spectra. The children of this class were manually asserted. + 53Cr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations. + + - + - - - - - - - - - - - - - - - The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size). - - - - causally influences (entity-centric) - causally influences - + + + A chemical shift reference compound used for 51V spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 51V spectra. The children of this class were manually asserted. + 51V spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 51V spectra according to IUPAC recommendations. + + - + - - - - p directly regulates q iff p is immediately causally upstream of q and p regulates q. - - - directly regulates (processual) - - - - - directly regulates - + + + A chemical shift reference compound used for 50V spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 50V spectra. The children of this class were manually asserted. + 50V spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 50V spectra according to IUPAC recommendations. + + - + - - - - - - - - gland SubClassOf 'has part structure that is capable of' some 'secretion by cell' - s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p - - has part structure that is capable of - + + + A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 49Ti spectra. The children of this class were manually asserted. + 49Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations. + + - + - - - - - A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity. - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - - - causal relation between material entity and a process - + + + A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 47Ti spectra. The children of this class were manually asserted. + 47Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations. + + - + - - - - - - - pyrethroid -> growth - Holds between c and p if and only if c is capable of some activity a, and a regulates p. - - capable of regulating - + + + A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 45Sc spectra. The children of this class were manually asserted. + 45Sc spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations. + + - + - - - - - - - Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p. - - capable of negatively regulating - + + + A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 43Ca spectra. The children of this class were manually asserted. + 43Ca spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations. + + - + - - - - - - - renin -> arteriolar smooth muscle contraction - Holds between c and p if and only if c is capable of some activity a, and a positively regulates p. - - capable of positively regulating - + + + A chemical shift reference compound used for 41K spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 41K spectra. The children of this class were manually asserted. + 41K spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 41K spectra according to IUPAC recommendations. + + - + - - - Inverse of 'causal agent in process' - - process has causal agent - + + + A chemical shift reference compound used for 40K spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 40K spectra. The children of this class were manually asserted. + 40K spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 40K spectra according to IUPAC recommendations. + + - + - - - - p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q. - - directly positively regulates (process to process) - - - - - directly positively regulates - https://wiki.geneontology.org/Directly_positively_regulates - + + + A chemical shift reference compound used for 39K spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 39K spectra. The children of this class were manually asserted. + 39K spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 39K spectra according to IUPAC recommendations. + + - + - - - - p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q. - - directly negatively regulates (process to process) - - - - - directly negatively regulates - https://wiki.geneontology.org/Directly_negatively_regulates - + + + A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 37Cl spectra. The children of this class were manually asserted. + 37Cl spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations. + + - + - - - - - - - Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P. - - 2018-01-25T23:20:13Z - enables subfunction - + + + A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 35Cl spectra. The children of this class were manually asserted. + 35Cl spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations. + + - + - - - - - - - - - 2018-01-26T23:49:30Z - - acts upstream of or within, positive effect - https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect - + + + A chemical shift reference compound used for 33S spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 33S spectra. The children of this class were manually asserted. + 33S spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 33S spectra according to IUPAC recommendations. + + - + - - - - - - - - - 2018-01-26T23:49:51Z - - acts upstream of or within, negative effect - https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect - + + + A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 27Al spectra. The children of this class were manually asserted. + 27Al spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations. + + - + - - - - - - - - c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive - - - 2018-01-26T23:53:14Z - - acts upstream of, positive effect - https://wiki.geneontology.org/Acts_upstream_of,_positive_effect - + + + A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 25Mg spectra. The children of this class were manually asserted. + 25Mg spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations. + + - + - - - - - - - - c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative - - - 2018-01-26T23:53:22Z - - acts upstream of, negative effect - https://wiki.geneontology.org/Acts_upstream_of,_negative_effect - + + + A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 23Na spectra. The children of this class were manually asserted. + 23Na spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations. + + - + - - - - - 2018-03-13T23:55:05Z - causally upstream of or within, negative effect - https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect - + + + A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted. + 21Ne spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations. + + - + - - - - - 2018-03-13T23:55:19Z - causally upstream of or within, positive effect - - + + + A chemical shift reference compound used for 17O spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 17O spectra. The children of this class were manually asserted. + 17O spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 17O spectra according to IUPAC recommendations. + + - + - - - - - The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B. - - regulates activity of - + + + A chemical shift reference compound used for 14N spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 14N spectra. The children of this class were manually asserted. + 14N spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 14N spectra according to IUPAC recommendations. + + - + - - - p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q. - - 2022-09-26T06:07:17Z - indirectly causally upstream of - + + + A chemical shift reference compound used for 11B spectra according to IUPAC recommendations. + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 11B spectra. The children of this class were manually asserted. + 11B spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 11B spectra according to IUPAC recommendations. + + - + - - - - p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q. - - 2022-09-26T06:08:01Z - indirectly regulates - + + + A chemical shift reference compound used for 10B spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 10B spectra. The children of this class were manually asserted. + 10B spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 10B spectra according to IUPAC recommendations. + + - + - - - - - - A diagnostic testing device utilizes a specimen. - X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y. - - - A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input. - See github ticket https://github.com/oborel/obo-relations/issues/497 - 2021-11-08T12:00:00Z - utilizes - device utilizes material - + + + A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. + 9Be spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations. + + - + - - - - - - - - - A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C. - - regulates characteristic - + + + A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations. + + + 2024-08-26T16:16:31Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 7Li spectra. The children of this class were manually asserted. + 7Li spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations. + + - + - - - - - - - A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C. - - positively regulates characteristic - + + + A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 6Li spectra. The children of this class were manually asserted. + 6Li spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations. + + - + - - - - - - - - - - - A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C. - - negatively regulates characteristic - + + + A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 61Ni spectra. The children of this class were manually asserted. + 61Ni spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations. + + - + + + + A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 63Cu spectra. The children of this class were manually asserted. + 63Cu spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations. + + - + - + + + A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 65Cu spectra. The children of this class were manually asserted. + 65Cu spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations. + + - + - - - entity - Entity - Julius Caesar - Verdi’s Requiem - the Second World War - your body mass index - BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 - Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf - An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) - - entity + + + A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 67Zn spectra. The children of this class were manually asserted. + 67Zn spectrum chemical shift reference compound - - - Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf - - per discussion with Barry Smith - + + + A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 69Ga spectra. The children of this class were manually asserted. + 69Ga spectrum chemical shift reference compound + - - - An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) - + + + A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations. + - + - - - - - - - - - - - - - - - - continuant - Continuant - An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. - BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 - Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants - A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) - if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) - if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) - if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) - (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] - (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] - (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] - (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] - - continuant + + + A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 71Ga spectra. The children of this class were manually asserted. + 71Ga spectrum chemical shift reference compound - - - Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants - - - - - - A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) - - - - - - if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) - - - - - - if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) - + + + A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 73Ge spectra. The children of this class were manually asserted. + 73Ge spectrum chemical shift reference compound + - - - if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) - + + + A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 75As spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 75As spectra. The children of this class were manually asserted. + 75As spectrum chemical shift reference compound + - - - (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] - + + + A chemical shift reference compound used for 75As spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 79Br spectra. The children of this class were manually asserted. + 79Br spectrum chemical shift reference compound + - - - (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] - + + + A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 81Br spectra. The children of this class were manually asserted. + 81Br spectrum chemical shift reference compound + - - - (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] - + + + A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 83Kr spectra. The children of this class were manually asserted. + 83Kr spectrum chemical shift reference compound + - - - (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] - + + + A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations. + - + - - - - - - - - - - - - - - - occurrent - Occurrent - An entity that has temporal parts and that happens, unfolds or develops through time. - BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region - BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. - Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. - Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. - An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) - Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) - b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) - (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] - (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] - - occurrent + + + A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 85Rb spectra. The children of this class were manually asserted. + 85Rb spectrum chemical shift reference compound - - - Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. - - per discussion with Barry Smith + + + A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Rb spectra. The children of this class were manually asserted. + 87Rb spectrum chemical shift reference compound + - - - Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. - + + + A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 91Zr spectra. The children of this class were manually asserted. + 91Zr spectrum chemical shift reference compound + - - - An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) - + + + A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 93Nb spectra. The children of this class were manually asserted. + 93Nb spectrum chemical shift reference compound + - - - Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) - + + + A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 95Mo spectra. The children of this class were manually asserted. + 95Mo spectrum chemical shift reference compound + - - - b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) - + + + A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 97Mo spectra. The children of this class were manually asserted. + 97Mo spectrum chemical shift reference compound + - - - (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] - + + + A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Tc spectra. The children of this class were manually asserted. + 99Tc spectrum chemical shift reference compound + - - - (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] - + + + A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations. + - + - - - - - - - - - - - ic - IndependentContinuant - a chair - a heart - a leg - a molecule - a spatial region - an atom - an orchestra. - an organism - the bottom right portion of a human torso - the interior of your mouth - b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) - For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) - For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) - (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] - (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] - (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] - A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. - - independent continuant + + + A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Ru spectra. The children of this class were manually asserted. + 99Ru spectrum chemical shift reference compound - + - b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) - + A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 101Ru spectra. The children of this class were manually asserted. + 101Ru spectrum chemical shift reference compound + - - - For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) - + + + A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 105Pd spectra. The children of this class were manually asserted. + 105Pd spectrum chemical shift reference compound + - - - For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) - + + + A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 113In spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113In spectra. The children of this class were manually asserted. + 113In spectrum chemical shift reference compound + - - - (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] - + + + A chemical shift reference compound used for 113In spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 115In spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115In spectra. The children of this class were manually asserted. + 115In spectrum chemical shift reference compound + - - - (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] - + + + A chemical shift reference compound used for 115In spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 121Sb spectra. The children of this class were manually asserted. + 121Sb spectrum chemical shift reference compound + - - - (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] - + + + A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations. + - + - - - - - s-region - SpatialRegion - BFO 2 Reference: Spatial regions do not participate in processes. - Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. - A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) - All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) - (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] - (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] - - spatial region + + + A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Sb spectra. The children of this class were manually asserted. + 123Sb spectrum chemical shift reference compound - - - Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. - - per discussion with Barry Smith + + + A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 127I spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 127I spectra. The children of this class were manually asserted. + 127I spectrum chemical shift reference compound + - - - A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) - + + + A chemical shift reference compound used for 127I spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 131Xe spectra. The children of this class were manually asserted. + 131Xe spectrum chemical shift reference compound + - - - All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) - + + + A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 133Cs spectra. The children of this class were manually asserted. + 133Cs spectrum chemical shift reference compound + - - - (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] - + + + A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 135Ba spectra. The children of this class were manually asserted. + 135Ba spectrum chemical shift reference compound + - - - (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] - + + + A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations. + - + - - - - - - t-region - TemporalRegion - Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional - A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) - All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) - Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) - (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] - (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] - (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] - - temporal region + + + A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 137Ba spectra. The children of this class were manually asserted. + 137Ba spectrum chemical shift reference compound - - - Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional - - per discussion with Barry Smith + + + A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 138La spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 138La spectra. The children of this class were manually asserted. + 138La spectrum chemical shift reference compound + - - - A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) - + + + A chemical shift reference compound used for 138La spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 139La spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 139La spectra. The children of this class were manually asserted. + 139La spectrum chemical shift reference compound + - - - All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) - + + + A chemical shift reference compound used for 139La spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 177Hf spectra. The children of this class were manually asserted. + 177Hf spectrum chemical shift reference compound + - - - Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) - + + + A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 179Hf spectra. The children of this class were manually asserted. + 179Hf spectrum chemical shift reference compound + - - - (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] - + + + A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 181Ta spectra. The children of this class were manually asserted. + 181Ta spectrum chemical shift reference compound + - - - (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] - + + + A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 185Re spectra. The children of this class were manually asserted. + 185Re spectrum chemical shift reference compound + - - - (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] - + + + A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations. + - + - - - - 2d-s-region - TwoDimensionalSpatialRegion - an infinitely thin plane in space. - the surface of a sphere-shaped part of space - A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) - (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] - - two-dimensional spatial region + + + A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Re spectra. The children of this class were manually asserted. + 187Re spectrum chemical shift reference compound - - - A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) - + + + A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 189Os spectra. The children of this class were manually asserted. + 189Os spectrum chemical shift reference compound + - - - (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] - + + + A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations. + - + - - - st-region - SpatiotemporalRegion - the spatiotemporal region occupied by a human life - the spatiotemporal region occupied by a process of cellular meiosis. - the spatiotemporal region occupied by the development of a cancer tumor - A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) - All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) - Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) - Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) - Every spatiotemporal region occupies_spatiotemporal_region itself. - Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) - (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] - (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] - (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] - (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] - (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] - - spatiotemporal region + + + A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 191Ir spectra. The children of this class were manually asserted. + 191Ir spectrum chemical shift reference compound - - - A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) - + + + A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 193Ir spectra. The children of this class were manually asserted. + 193Ir spectrum chemical shift reference compound + - - - All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) - + + + A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 197Au spectra. The children of this class were manually asserted. + 197Au spectrum chemical shift reference compound + - - - Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) - + + + A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 201Hg spectra. The children of this class were manually asserted. + 201Hg spectrum chemical shift reference compound + - - - Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) - + + + A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 209Bi spectra. The children of this class were manually asserted. + 209Bi spectrum chemical shift reference compound + - - - Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) - + + + A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations. + + + + + + + + + For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits). + integer32 + + + + + + + + + A reference number relevant to the sample under study. + value-type:xsd:string + NMR + NMR:1000001 + sample number + - - - (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] - + + + A reference number relevant to the sample under study. + MSI:NMR - - - (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] - - - - - - (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] - - - - - - (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] - - - - - - (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] - + + + value-type:xsd:string + The allowed value-type for this CV term. - + - - - process - Process - a process of cell-division, \ a beating of the heart - a process of meiosis - a process of sleeping - the course of a disease - the flight of a bird - the life of an organism - your process of aging. - p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) - BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) - (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] - An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. - - process + + + For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits). + long64 + + + + + + + + + The chemical phase of a pure sample, or the state of a mixed sample. + NMR + NMR:1000003 + sample state information - + - p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) - - - - - - (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] - + The chemical phase of a pure sample, or the state of a mixed sample. + MSI:NMR - + - - - - disposition - Disposition - an atom of element X has the disposition to decay to an atom of element Y - certain people have a predisposition to colon cancer - children are innately disposed to categorize objects in certain ways. - the cell wall is disposed to filter chemicals in endocytosis and exocytosis - BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. - b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) - If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) - (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] - (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] - - disposition + + + Total mass of sample used. + value-type:xsd:float + NMR + NMR:1000004 + sample mass information - - - b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) - - - - - - If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) - - - - - - (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] - + + + Total mass of sample used. + MSI:NMR - - - (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] - + + + value-type:xsd:float + The allowed value-type for this CV term. - + - - - - - - - - - - realizable - RealizableEntity - the disposition of this piece of metal to conduct electricity. - the disposition of your blood to coagulate - the function of your reproductive organs - the role of being a doctor - the role of this boundary to delineate where Utah and Colorado meet - A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. - To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) - All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) - (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] - (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] - - realizable entity + + + Total volume of solution used. + value-type:xsd:float + NMR + NMR:1000005 + sample volume - - - To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) - - - - - - All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) - - - - - - (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] - + + + Total volume of solution used. + MSI:NMR - - - (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] - + + + value-type:xsd:float + The allowed value-type for this CV term. - + - - - - 0d-s-region - ZeroDimensionalSpatialRegion - A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) - (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] - - zero-dimensional spatial region + + + Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used. + value-type:xsd:float + NMR + NMR:1000006 + sample concentration - - - A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) - + + + Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used. + MSI:NMR - - - (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] - + + + value-type:xsd:float + The allowed value-type for this CV term. - + + + + + One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible +to determine if the frequency is positive or negative. The instrument uses a spectrometer +frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule +produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency +is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency +signals are very easy frequency to detect, transmit, amplify and sample. +The complication with this rotating frame of reference is that a single detector can not distinguish positive and +negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels +separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these +two channels, it is possible to distinguish positive and negative frequencies. This section shows how the +quadrature signal is processed to obtain an NMR spectrum. +The Fourier transform produces a complex number with a real and an imaginary component. The Re function +extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number. + quadrature detection + + - - - - - - - - - quality - Quality - the ambient temperature of this portion of air - the color of a tomato - the length of the circumference of your waist - the mass of this piece of gold. - the shape of your nose - the shape of your nostril - a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) - If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) - (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] - (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] - - quality + + + + + + contact role - - - - a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) - - - - - - If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) - - - - - - (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] - - - - - - (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] - - - + - - - - - - - - - - sdc - SpecificallyDependentContinuant - Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key - of one-sided specifically dependent continuants: the mass of this tomato - of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. - the disposition of this fish to decay - the function of this heart: to pump blood - the mutual dependence of proton donors and acceptors in chemical reactions [79 - the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction - the pink color of a medium rare piece of grilled filet mignon at its center - the role of being a doctor - the shape of this hole. - the smell of this portion of mozzarella - b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) - Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. - (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] - A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. - - specifically dependent continuant + + + data file attribute - - - - b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) - - - - - - Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. - - per discussion with Barry Smith - - - - - (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] - - - + - - - role - Role - John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. - the priest role - the role of a boundary to demarcate two neighboring administrative territories - the role of a building in serving as a military target - the role of a stone in marking a property boundary - the role of subject in a clinical trial - the student role - A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. - BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. - b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) - (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] - - role + + + The concept represented by this class is already present ('NMR instrument') and ontologically more correct. + + + obsolete_NMR instrument type + true - - - - b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) - - - - - - (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] - - - + - - - fiat-object-part - FiatObjectPart - or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 - the FMA:regional parts of an intact human body. - the Western hemisphere of the Earth - the division of the brain into regions - the division of the planet into hemispheres - the dorsal and ventral surfaces of the body - the upper and lower lobes of the left lung - BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions - b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) - (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] - - fiat object part + + + 1D spectrum coordinate system descriptor - - - - b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) - - - - - - (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] - - - + - - - - 1d-s-region - OneDimensionalSpatialRegion - an edge of a cube-shaped portion of space. - A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) - (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] - - one-dimensional spatial region + + + pre-acquisition solvent suppression - - - - A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) - - - - - - (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] - - - + - - - object-aggregate - ObjectAggregate - a collection of cells in a blood biobank. - a swarm of bees is an aggregate of members who are linked together through natural bonds - a symphony orchestra - an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) - defined by fiat: the aggregate of members of an organization - defined through physical attachment: the aggregate of atoms in a lump of granite - defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container - defined via attributive delimitations such as: the patients in this hospital - the aggregate of bearings in a constant velocity axle joint - the aggregate of blood cells in your body - the nitrogen atoms in the atmosphere - the restaurants in Palo Alto - your collection of Meissen ceramic plates. - An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects - BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). - ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. - b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) - (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] - - object aggregate + + + peak processing - - - - An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects - - - - - - An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects - - - - - - ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. - - - - - - b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) - - - - - - (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] - - - + - - - 3d-s-region - ThreeDimensionalSpatialRegion - a cube-shaped region of space - a sphere-shaped region of space, - A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) - (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] - - three-dimensional spatial region + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_Hexafluorobenzene + true - - - - A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) - - - - - - (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] - - - + - - - site - Site - Manhattan Canyon) - a hole in the interior of a portion of cheese - a rabbit hole - an air traffic control region defined in the airspace above an airport - the Grand Canyon - the Piazza San Marco - the cockpit of an aircraft - the hold of a ship - the interior of a kangaroo pouch - the interior of the trunk of your car - the interior of your bedroom - the interior of your office - the interior of your refrigerator - the lumen of your gut - your left nostril (a fiat part – the opening – of your left nasal cavity) - b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) - (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] - - site + + + Deprecated in favor of CHEBI equivalent class. + + + CDCl3 + obsolete_Chloroform-d + true - - - - b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) - - - - - - (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] - - - + - - - object - Object - atom - cell - cells and organisms - engineered artifacts - grain of sand - molecule - organelle - organism - planet - solid portions of matter - star - BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. - BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). - BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 - BFO 2 Reference: an object is a maximal causally unified material entity - BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 - b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) - - object + + + Deprecated in favor of CHEBI equivalent class. + + + CHEBI:41981 + D2O + obsolete_heavy water + true - - - - b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) - - - + - - - gdc - GenericallyDependentContinuant - The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. - the pdf file on your laptop, the pdf file that is a copy thereof on my laptop - the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. - b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) - (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] - - generically dependent continuant + + + sample pH - - - - b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) - - - - - - (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] - - - + - - - function - Function - the function of a hammer to drive in nails - the function of a heart pacemaker to regulate the beating of a heart through electricity - the function of amylase in saliva to break down starch into sugar - BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. - A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) - (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] - - function + + + post buffer pH - - - - A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) - - - - - - (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] - - - + - - - p-boundary - ProcessBoundary - the boundary between the 2nd and 3rd year of your life. - p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) - Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) - (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] - (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] - - process boundary + + + Philippe Rocca-Serra + http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf + apodization + Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. +Apodization is usually performed by applying a window function to the FID + + + + + + + + + http://www.metabolomicssociety.org/databases + PRS: rename 'reference' to 'identifier' + metabolomics database identifier + + + + + + + + + Metabolights identifier + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_acetonitrile + true + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_1,4-Dioxane + true + + + + + + + + + A chemical shift reference compound used for 1H spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 1H spectra. The children of this class were manually asserted. + 1H spectrum chemical shift reference compound - + - p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) - - - - - - Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) - - - - - - (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] - - - - - - (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] - + A chemical shift reference compound used for 1H spectra according to IUPAC recommendations. + + - + - - - - 1d-t-region - OneDimensionalTemporalRegion - the temporal region during which a process occurs. - BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). - A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) - (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] - - one-dimensional temporal region + + + Deprecated in favor of CHEBI equivalent class. + + + DSS + obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate + true - - - - A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) - - - - - - (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] - - - + - - - - material - MaterialEntity - a flame - a forest fire - a human being - a hurricane - a photon - a puff of smoke - a sea wave - a tornado - an aggregate of human beings. - an energy wave - an epidemic - the undetached arm of a human being - An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. - BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 - BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. - BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. - A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) - Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) - every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) - (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] - - material entity + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_sodium acetate + true + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + TMS + obsolete_tetramethylsilane + true + + + + + + + + + A chemical shift reference compound used for 13C spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 13C spectra. The children of this class were manually asserted. + 13C spectrum chemical shift reference compound - - - A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) - - - - - - Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) - - - - - - every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) - - - - - - (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] - - - - - - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] - - - - - - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] - + + + A chemical shift reference compound used for 13C spectra according to IUPAC recommendations. + + - + - - - cf-boundary - ContinuantFiatBoundary - b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) - BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions. - BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29 - Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. - Every continuant fiat boundary is located at some spatial region at every time at which it exists - (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] - - continuant fiat boundary + + + Instrument model name not including the vendor's name. + NMR + NMR:1000031 + NMR instrument model - + - b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) - + Instrument model name not including the vendor's name. + MSI:NMR + + + + + + + + Free text description of a single customization made to the instrument; for several modifications, use several entries. + value-type:xsd:string + NMR + NMR:1000032 + instrument customization + - - - Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. - + + + Free text description of a single customization made to the instrument; for several modifications, use several entries. + MSI:NMR - - - (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] - + + + value-type:xsd:string + The allowed value-type for this CV term. - + - - - immaterial - ImmaterialEntity - BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 - - immaterial entity + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_Chloroform-d1 + true - + - - - - - 1d-cf-boundary - OneDimensionalContinuantFiatBoundary - The Equator - all geopolitical boundaries - all lines of latitude and longitude - the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin. - the median sulcus of your tongue - a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) - (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] - - one-dimensional continuant fiat boundary + + + keyword + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_tetramethylammonium bromide + true + + + + + + + + + A chemical shift reference compound used for 15N spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 15N spectra. The children of this class were manually asserted. + 15N spectrum chemical shift reference compound - - - a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) - - - - - - (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] - + + + A chemical shift reference compound used for 15N spectra according to IUPAC recommendations. + + - + - - - - process-profile - ProcessProfile - On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels - One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance. - The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on. - b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) - b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) - (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] - (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] - - process profile + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_ammonia (liquid) + true - - - - b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) - - - - - - b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) - - - - - - (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] - - - - - - (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] - - - + - - - r-quality - RelationalQuality - John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. - a marriage bond, an instance of requited love, an obligation between one person and another. - b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) - (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] - - relational quality + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_ammonium bromide + true - - - - b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) - - - - - - (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] - - - + - - - 2d-cf-boundary - TwoDimensionalContinuantFiatBoundary - a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) - (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] - - two-dimensional continuant fiat boundary + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_1,4-morpholine + true - - - - a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) - - - - - - (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] - - - + - - - 0d-cf-boundary - ZeroDimensionalContinuantFiatBoundary - the geographic North Pole - the point of origin of some spatial coordinate system. - the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet - zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. - a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) - (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] - - zero-dimensional continuant fiat boundary + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_nitromethane + true - - - - zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. - - requested by Melanie Courtot - - - - - - a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) - - - - - - (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] - - - + - - - 0d-t-region - ZeroDimensionalTemporalRegion - a temporal region that is occupied by a process boundary - right now - the moment at which a child is born - the moment at which a finger is detached in an industrial accident - the moment of death. - temporal instant. - A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) - (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] - - zero-dimensional temporal region + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_pyridine + true - - - - A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) - - - - - - (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] - - - + - - - history - History - A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) - - history + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_sodium nitrate + true - - - - A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) - - - + - + + + solvent filtering + post-acquisition solvent suppression + - + - + + + Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds. + http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling + decoupling method + - + - - - - - true - - + + + homonuclear decoupling - + - + + + heteronuclear decoupling + - + - + + + State if the sample is in emulsion form. + NMR + NMR:1000047 + emulsion + + + + + State if the sample is in emulsion form. + MSI:NMR + - + - + + + State if the sample is in gaseous form. + NMR + NMR:1000048 + gas + + + + + State if the sample is in gaseous form. + MSI:NMR + - + - - - data item - Data items include counts of things, analyte concentrations, and statistical summaries. - - An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements. - 2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers. - 2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum. - 2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym. - 2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/ - JAR: datum -- well, this will be very tricky to define, but maybe some -information-like stuff that might be put into a computer and that is -meant, by someone, to denote and/or to be interpreted by some -process... I would include lists, tables, sentences... I think I might -defer to Barry, or to Brian Cantwell Smith + + + State if the sample is in liquid form. + NMR + NMR:1000049 + liquid + + + + + State if the sample is in liquid form. + MSI:NMR + + -JAR: A data item is an approximately justified approximately true approximate belief - PERSON: Alan Ruttenberg - PERSON: Chris Stoeckert - PERSON: Jonathan Rees - data - data item + + + + + + State if the sample is in solid form. + NMR + NMR:1000050 + solid + + + + State if the sample is in solid form. + MSI:NMR + - + - - - - - - - - - information content entity - Examples of information content entites include journal articles, data, graphical layouts, and graphs. - - A generically dependent continuant that is about some thing. - 2014-03-10: The use of "thing" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ). - information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). + + + State if the sample is in solution form. + NMR + NMR:1000051 + solution + + + + + State if the sample is in solution form. + MSI:NMR + + -Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity. - PERSON: Chris Stoeckert - OBI_0000142 - information content entity + + + + + + State if the sample is in suspension form. + NMR + NMR:1000052 + suspension + + + + State if the sample is in suspension form. + MSI:NMR + - + - + + + Sample batch lot identifier. + value-type:xsd:string + NMR + NMR:1000053 + sample batch information + + + + + Sample batch lot identifier. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + - + - + + + broad band decoupling + - + - + + + off resonance decoupling + - + - - - - - - - - - - - - - - - - - - curation status specification - - The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. - Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting) - PERSON:Bill Bug - GROUP:OBI:<http://purl.obolibrary.org/obo/obi> - OBI_0000266 - curation status specification + + + band-selective decoupling + narowband decoupling + specific decoupling - + - + + + angle of sinusoid + - + - + + + A chemical shift reference compound used for 31P spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 31P spectra. The children of this class were manually asserted. + 31P spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 31P spectra according to IUPAC recommendations. + + + - + - + + + Deprecated in favor of CHEBI equivalent class. + + + H3PO4 + obsolete_phosphoric acid + true + - + - - - data about an ontology part - Data about an ontology part is a data item about a part of an ontology, for example a term - Person:Alan Ruttenberg - data about an ontology part + + + Deprecated in favor of CHEBI equivalent class. + + + P4 + obsolete_phosphorus + true - + - + + + Deprecated in favor of CHEBI equivalent class. + + + (CH3O)3PO + obsolete_trimethyl phosphate + true + - + - + + + Deprecated in favor of CHEBI equivalent class. + + + P(C6H5)3 + obsolete_triphenylphosphine + true + - + - + + + Deprecated in favor of CHEBI equivalent class. + + + O=P(C6H5)3 + obsolete_triphenylphosphine oxide + true + - + - + + + co-dissolved internal reference + - + - + + + synthetic reference signal + - + - - - - - - - - - - - - - - - obsolescence reason specification - - The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. - The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology. - PERSON: Alan Ruttenberg - PERSON: Melanie Courtot - obsolescence reason specification + + + residual solvent signal - + - + + + FID zero filling + - + - - - - - - - - - - - - denotator type - The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are "natural kinds" and the latter arbitrary collections of entities. - A denotator type indicates how a term should be interpreted from an ontological perspective. - Alan Ruttenberg - Barry Smith, Werner Ceusters - denotator type + + + data extrapolation using linear prediction - + - - - ontology module - I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it. - ontology file - This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology. - ontology module + + + multiplying FID by window function - + - - - base ontology module - An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies. - base ontology module - + + + FID fourier transformation + The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems. - + - - - editors ontology module - An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users. - source ontology module - editors ontology module + + + phasing + spectral phasing + phase correction - + - - - main release ontology module - An ontology module that is intended to be the primary release product and the one consumed by the majority of tools. - TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module - main release ontology module + + + peak integration - + - - - bridge ontology module - An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module. - bridge ontology module - + + + peak alignment - + - - - import ontology module - A subset ontology module that is intended to be imported from another ontology. - TODO: add axioms that indicate this is the output of a module extraction process. - import file - import ontology module - + + + peak shape fitting - + - - - subset ontology module - An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms. - ontology slim - subset ontology - subset ontology module - - + + + spectral referencing - + - - - curation subset ontology module - A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation. - curation subset ontology module + + + Deprecated in favor of CHEBI equivalent class. + + + Pohl, L.; Eckle, M. (1969). "Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811 + TMSP + trimethylsilyl propanoic acid + obsolete_sodium trimethylsilyl-propionate + true - + - - - analysis ontology module - An ontology module that is intended for usage in analysis or discovery applications. - analysis subset ontology module + + + used to be 'linear scaling algorithm' + linear scaling - + - - - single layer ontology module - A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint. - ribbon subset - single layer subset ontology module + + + used to be called 'scaling algorithm' + scaling - + - - - exclusion subset ontology module - A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes. - antislim - exclusion subset ontology module + + + used to be postfixed with algorithm + non-linear scaling - + - - - external import ontology module - An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach. - external import - external import ontology module + + + total spectral area scaling - + - - - species subset ontology module - A subset ontology that is crafted to either include or exclude a taxonomic grouping of species. - taxon subset - species subset ontology module - + + + Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90. + probabilistic quotient normalization - + - - - reasoned ontology module - An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available. - reasoned ontology module - + + + glog scaling + scaling by generalized logarithmic transformation - + - - - generated ontology module - An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV. - TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process - generated ontology module + + + pareto scaling - + - - - template generated ontology module - An ontology module that is automatically generated from a template specification and fillers for slots in that template. - template generated ontology module - - - + + + autoscaling - + - - - taxonomic bridge ontology module - taxonomic bridge ontology module + + + JRES spectrum + 2D J-resolved spectrum - + - - - ontology module subsetted by expressivity - ontology module subsetted by expressivity + + + http://www.biomedcentral.com/1471-2105/12/366#B2 + MetaboLab software - + - - - obo basic subset ontology module - A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. + + + Metaboquant software + + -Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). -An ontology is OBO Basic if and only if it has the following characteristics: -DAG -Unidirectional -No Dangling Clauses -Fully Asserted -Fully Labeled -No equivalence axioms -Singly labeled edges -No qualifier lists -No disjointness axioms -No owl-axioms header -No imports - obo basic subset ontology module - + + + + + rNMR software - + - - - ontology module subsetted by OWL profile - ontology module subsetted by OWL profile + + + open source NMR software - + - - - EL++ ontology module - EL++ ontology module + + + commercial NMR software - + - + + + Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208. + NMRLab software + - + - - root node + + + Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293. + NMRPipe software - + - - - - - - - - - - - - - - - - - - - - - - - - - planned process - planned process - Injecting mice with a vaccine in order to test its efficacy - - A process that realizes a plan which is the concretization of a plan specification. - 'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.) - We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some -objectives is a planned process. - Bjoern Peters - branch derived - 6/11/9: Edited at workshop. Used to include: is initiated by an agent - This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call) - - planned process + + + van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. + matNMR software - + - - - regulator role - Fact sheet - Regulating the companies The role of the regulator. Ofwat is the economic regulator of the water and sewerage industry in England and Wales. http://www.ofwat.gov.uk/aptrix/ofwat/publish.nsf/Content/roleofregulator_factsheet170805 - - a regulatory role involved with making and/or enforcing relevant legislation and governmental orders - Person:Jennifer Fostel - regulator - OBI - regulator role + + + concentration of chemical compound - + - - - regulatory role - Regulatory agency, Ethics committee, Approval letter; example: Browse these EPA Regulatory Role subtopics http://www.epa.gov/ebtpages/enviregulatoryrole.html Feb 29, 2008 - - a role which inheres in material entities and is realized in the processes of making, enforcing or being defined by legislation or orders issued by a governmental body. - GROUP: Role branch - OBI, CDISC - govt agents responsible for creating regulations; proxies for enforcing regulations. CDISC definition: regulatory authorities. Bodies having the power to regulate. NOTE: In the ICH GCP guideline the term includes the authorities that review submitted clinical data and those that conduct inspections. These bodies are sometimes referred to as competent - regulatory role + + + manual phase correction - + - - - material supplier role - Jackson Labs is an organization which provide mice as experimental material - - a role realized through the process of supplying materials such as animal subjects, reagents or other materials used in an investigation. - Supplier role is a special kind of service, e.g. biobank - PERSON:Jennifer Fostel - material provider role - supplier - material supplier role + + + automatic phase correction - + - - - - - - - - - - - - - - - - classified data set - - A data set that is produced as the output of a class prediction data transformation and consists of a data set with assigned class labels. - PERSON: James Malone - PERSON: Monnie McGee - data set with assigned class labels - classified data set + + + DC offset correction - + - - - - - - - - - - - - - - - - - - - specimen role - liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient. - - a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation - 22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role. - Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation. - blood taken from animal: animal continues in study, whereas blood has role specimen. -something taken from study subject, leaves the study and becomes the specimen. - parasite example -- when parasite in people we study people, people are subjects and parasites are specimen -- when parasite extracted, they become subject in the following study -specimen can later be subject. - GROUP: Role Branch - OBI - - specimen role + + + http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366 + Gibbs multiplication - + - - - organization - PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods. - - An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members. - BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: + + + skyline projection + + -1) there are organization_member_roles (president, treasurer, branch -editor), with individual persons as bearers -2) there are organization_roles (employer, owner, vendor, patent holder) + -3) an organization has a charter / rules / bylaws, which specify what roles -there are, how they should be realized, and how to modify the -charter/rules/bylaws themselves. + + + shifted sine apodization + shifted sine window function + + -It is debatable what the organization itself is (some kind of dependent -continuant or an aggregate of people). This also determines who/what the -bearer of organization_roles' are. My personal favorite is still to define -organization as a kind of 'legal entity', but thinking it through leads to -all kinds of questions that are clearly outside the scope of OBI. -Interestingly enough, it does not seem to matter much where we place -organization itself, as long as we can subclass it (University, Corporation, -Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, -W3C, University of Oklahoma), and have it play roles. + -This leads to my proposal: We define organization through the statements 1 - -3 above, but without an 'is a' statement for now. We can leave it in its -current place in the is_a hierarchy (material entity) or move it up to -'continuant'. We leave further clarifications to BFO, and close this issue -for now. - PERSON: Alan Ruttenberg - PERSON: Bjoern Peters - PERSON: Philippe Rocca-Serra - PERSON: Susanna Sansone - GROUP: OBI - organization + + + SINC + Sinc window multiplication + sinc window multiplication of FID (1D) - + - - - - - - - - - - - - - - - - - - - - regulatory agency - The US Environmental Protection Agency - - A regulatory agency is a organization that has responsibility over or for the legislation (acts and regulations) for a given sector of the government. - GROUP: OBI Biomaterial Branch - WEB: en.wikipedia.org/wiki/Regulator - regulatory agency + + + http://www.sciencedirect.com/science/article/pii/S0003267008000950 + https://github.com/nmrML/nmrML/issues/36 + combined sine-bell–exponential window function + SEM window function - + - - - - - - - - - - - - - - - - manufacturer role - With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role. - - Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process. - GROUP: Role Branch - OBI - manufacturer role + + + TRAP + trapezoid apodization + Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 + -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization. + trapezoid window function - + - - - - - - - - - - - - - - - - clustered data set - A clustered data set is the output of a K means clustering data transformation - - A data set that is produced as the output of a class discovery data transformation and consists of a data set with assigned discovered class labels. - PERSON: James Malone - PERSON: Monnie McGee - data set with assigned discovered class labels - AR thinks could be a data item instead - clustered data set + + + shifted gaussian window function - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - specimen collection process - drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation - - A planned process with the objective of collecting a specimen. - Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation. - Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role. - Philly2013: The specimen_role for the specimen is created during the specimen collection process. - label changed to 'specimen collection process' on 10/27/2014, details see tracker: -http://sourceforge.net/p/obi/obi-terms/716/ - Bjoern Peters - specimen collection - 5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession - 6/9/09: used at workshop - specimen collection process + + + baseline correction using spline function - + - - - - - - - - - - - - - - - - - class prediction data transformation - - A class prediction data transformation (sometimes called supervised classification) is a data transformation that has objective class prediction. - James Malone - supervised classification data transformation - PERSON: James Malone - class prediction data transformation + + + HSQC NMR spectrum + heteronuclear single quantum coherence spectrum - + - - - specimen collection objective - The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient. - - A objective specification to obtain a material entity for potential use as an input during an investigation. - Bjoern Peters - Bjoern Peters - specimen collection objective + + + Zangger-Sterk pulse sequence - + - - - - - - - - - support vector machine - - A support vector machine is a data transformation with a class prediction objective based on the construction of a separating hyperplane that maximizes the margin between two data sets of vectors in n-dimensional space. - James Malone - Ryan Brinkman - SVM - PERSON: Ryan Brinkman - support vector machine + + + http://nmr.chemistry.manchester.ac.uk/?q=node/256 + pure shift 1D Zangger-Sterk pulse sequence - + - - - decision tree induction objective - - A decision tree induction objective is a data transformation objective in which a tree-like graph of edges and nodes is created and from which the selection of each branch requires that some type of logical decision is made. - James Malone - decision tree induction objective + + + http://nmr.chemistry.manchester.ac.uk/?q=node/264 + oneshot pulse sequence - + - - - - - - - - - - - - - - - decision tree building data transformation - - A decision tree building data transformation is a data transformation that has objective decision tree induction. - James Malone - PERSON: James Malone - decision tree building data transformation + + + http://nmr.chemistry.manchester.ac.uk/?q=node/265 + pure shift oneshot pulse sequence - + - - - GenePattern software - - a software that provides access to more than 100 tools for gene expression analysis, proteomics, SNP analysis and common data processing tasks. - James Malone - Person:Helen Parkinson - WEB: http://www.broadinstitute.org/cancer/software/genepattern/ - GenePattern software + + + http://nmr.chemistry.manchester.ac.uk/?q=node/285 + PE Watergate pulse sequence + perfect echo watergate pulse sequence - + - - - peak matching - - Peak matching is a data transformation performed on a dataset of a graph of ordered data points (e.g. a spectrum) with the objective of pattern matching local maxima above a noise threshold - James Malone - Ryan Brinkman - PERSON: Ryan Brinkman - peak matching + + + NMR Star 3.1 file format - + - - - - - - - - - - - - - - - - - - - k-nearest neighbors - - A k-nearest neighbors is a data transformation which achieves a class discovery or partitioning objective, in which an input data object with vector y is assigned to a class label based upon the k closest training data set points to y; where k is the largest value that class label is assigned. - James Malone - k-NN - PERSON: James Malone - k-nearest neighbors + + + NMR Star 2.1 file format - + - - - CART - - A CART (classification and regression trees) is a data transformation method for producing a classification or regression model with a tree-based structure. - James Malone - classification and regression trees - BOOK: David J. Hand, Heikki Mannila and Padhraic Smyth (2001) Principles of Data Mining. - CART + + + three dimensional spectrum + 3D spectrum - + - - - - - - - - - - - - - - - statistical model validation - Using the expression levels of 20 proteins to predict whether a cancer patient will respond to a drug. A practical goal would be to determine which subset of the 20 features should be used to produce the best predictive model. - wikipedia - - A data transformation which assesses how the results of a statistical analysis will generalize to an independent data set. - Helen Parkinson - http://en.wikipedia.org/wiki/Cross-validation_%28statistics%29 - statistical model validation + + + four dimensional spectrum + 4D spectrum - + - - - - - - - - - - - - - - - - - - - - - - - - - manufacturer - - A person or organization that has a manufacturer role. - manufacturer + + + NMR spectrum by dimensionality - + - - - - - - - - - - - - - - - - service provider role - Jackson Lab provides experimental animals, EBI provides training on databases, a core facility provides access to a DNA sequencer. - - is a role which inheres in a person or organization and is realized in in a planned process which provides access to training, materials or execution of protocols for an organization or person - PERSON:Helen Parkinson - service provider role + + + homonuclear chemical shift spectrum - + - - - categorical label - The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels. - - A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale. - Bjoern Peters - Bjoern Peters - categorical label + + + heteronuclear chemical shift spectrum - + - - - questionnaire - - A document with a set of printed or written questions with a choice of answers, devised for the purposes of a survey or statistical study. - JT: It plays a role in collecting data that could be fleshed out more; but I'm thinking it is, in itself, an edited document. -JZ: based on textual definition of edited document, it can be defined as N&S. I prefer to leave questionnaire as a document now. We can add more restrictions in the future and use that to determine it is an edited document or not. - Need to clarify if this is a document or a directive information entity (or what their connection is)) - PERSON: Jessica Turner - Merriam-Webster - questionnaire + + + Bruker instrument model. + NMR + NMR:1000122 + Bruker instrument model + + + + Bruker instrument model. + MSI:NMR + - + - - - categorical value specification - - A value specification that is specifies one category out of a fixed number of nominal categories - PERSON:Bjoern Peters - categorical value specification + + + homonuclear exchange spectroscopy spectrum - + - - - value specification - The value of 'positive' in a classification scheme of "positive or negative"; the value of '20g' on the quantitative scale of mass. - - An information content entity that specifies a value within a classification scheme or on a quantitative scale. - This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement. - PERSON:Bjoern Peters - value specification + + + heteronuclear exchange spectroscopy spectrum - + - - - - - - - - - - - - - - collection of specimens - Blood cells collected from multiple donors over the course of a study. - - A material entity that has two or more specimens as its parts. - Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/ - Person: Chris Stoeckert, Jie Zheng - OBIB, OBI - Biobank - collection of specimens + + + homonuclear J-resolved spectrum - + - - - histologic grade according to AJCC 7th edition - G1:Well differentiated - G4: Undifferentiated - - A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the American Joint Committee on Cancer (AJCC) 7th Edition grading system. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade according to AJCC 7th edition + + + heteronuclear J-resolved spectrum - + - - - histologic grade according to the Fuhrman Nuclear Grading System - - A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the Fuhrman Nuclear Grading System. - Chris Stoeckert, Helena Ellis - Histologic Grade (Fuhrman Nuclear Grading System) - NCI BBRB, OBI - NCI BBRB - histologic grade according to the Fuhrman Nuclear Grading System + + + calibration test spectrum - + - - - histologic grade for ovarian tumor - - A categorical value specification that is a histologic grade assigned to a ovarian tumor. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade for ovarian tumor + + + NMR star software - + - - - histologic grade for ovarian tumor according to a two-tier grading system - - A histologic grade for ovarian tumor that is from a two-tier histological classification of tumors. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade for ovarian tumor according to a two-tier grading system + + + http://www.felixnmr.com/ + Felix software - + - - - histologic grade for ovarian tumor according to the World Health Organization - - A histologic grade for ovarian tumor that is from a histological classification by the World Health Organization (WHO). - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade for ovarian tumor according to the World Health Organization + + + PIPP software - + - - - pathologic primary tumor stage for colon and rectum according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread colorectal primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for colon and rectum according to AJCC 7th edition + + + TALOS+ software - + - - - pathologic primary tumor stage for lung according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread lung primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for lung according to AJCC 7th edition + + + http://www.cyana.org/wiki/index.php/Main_Page + CYANA software - + - - - pathologic primary tumor stage for kidney according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread kidney primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for kidney according to AJCC 7th edition + + + http://nmr.cit.nih.gov/xplor-nih/ + XPLOR-NIH software - + - - - pathologic primary tumor stage for ovary according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread ovarian primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for ovary according to AJCC 7th edition + + + computed concentration + request these in UO ? - + - - - pathologic lymph node stage for colon and rectum according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread colon lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for colon and rectum according to AJCC 7th edition + + + http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY + XEASY software - + - - - pathologic lymph node stage for lung according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread colon lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for lung according to AJCC 7th edition + + + sparky software - + - - - pathologic lymph node stage for kidney according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread kidney lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for kidney according to AJCC 7th edition + + + http://nmr-software.blogspot.de/2007/04/cara.html + CARA software - + - - - pathologic lymph node stage for ovary according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread ovarian lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for ovary according to AJCC 7th edition + + + Wattos software - + - - - pathologic distant metastases stage for colon according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of colon cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: colon distant metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for colon according to AJCC 7th edition + + + MADNMR software - + - - - pathologic distant metastases stage for lung according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: lung distant metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for lung according to AJCC 7th edition + + + Pronto software - + - - - pathologic distant metastases stage for kidney according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: kidney distant Metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for kidney according to AJCC 7th edition + + + TRIAD NMR software - + - - - pathologic distant metastases stage for ovary according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: ovarian distant metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for ovary according to AJCC 7th edition + + + library based computed concentration - + - - - clinical tumor stage group according to AJCC 7th edition - - A categorical value specification that is an assessment of the stage of a cancer according to the American Joint Committee on Cancer (AJCC) v7 staging systems. - Chris Stoeckert, Helena Ellis - Clinical tumor stage group (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - clinical tumor stage group according to AJCC 7th edition + + + Lorenzian (-Integration) (Modeled Area) Estimated Concentration + https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing + Lorenzian estimated concentration - + - - - International Federation of Gynecology and Obstetrics cervical cancer stage value specification - - A categorical value specification that is an assessment of the stage of a gynecologic cancer according to the International Federation of Gynecology and Obstetrics (FIGO) staging systems. - Chris Stoeckert, Helena Ellis - Clinical FIGO stage - NCI BBRB, OBI - NCI BBRB - International Federation of Gynecology and Obstetrics cervical cancer stage value specification + + + Measured Area (Integration) based Concentration + measured area based concentration - + - - - International Federation of Gynecology and Obstetrics ovarian cancer stage value specification - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the FIGO classification system. - Chris Stoeckert, Helena Ellis - Pathologic Tumor Stage Grouping for ovarian cancer (FIGO) - NCI BBRB, OBI - NCI BBRB - International Federation of Gynecology and Obstetrics ovarian cancer stage value specification + + + time-domain amplitude computed concentration - + - - - performance status value specification - - A categorical value specification that is an assessment of a participant's performance status (general well-being and activities of daily life). - Chris Stoeckert, Helena Ellis - Performance Status Scale - https://en.wikipedia.org/wiki/Performance_status - NCI BBRB - performance status value specification + + + group time delay compensation + http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html + This is independent of the bruker acquisition parameter named "GRPDLY" (Group Delay), but this is a "shift" applied on the fid to calibrate its zero - + - - - Eastern Cooperative Oncology Group score value specification - - A performance status value specification designed by the Eastern Cooperative Oncology Group to assess disease progression and its affect on the daily living abilities of the patient. - Chris Stoeckert, Helena Ellis - ECOG score - NCI BBRB, OBI - NCI BBRB - Eastern Cooperative Oncology Group score value specification + + + scaling by forward linear prediction - + - - - Karnofsky score vaue specification - - A performance status value specification designed for classifying patients 16 years of age or older by their functional impairment. - Chris Stoeckert, Helena Ellis - Karnofsky Score - NCI BBRB, OBI - NCI BBRB - Karnofsky score vaue specification + + + back calculation of first points by linear-prediction - + - - - - - - - - - - - - - - - - - - - - - - - - - material supplier - - A person or organization that provides material supplies to other people or organizations. - Rebecca Jackson - https://github.com/obi-ontology/obi/issues/1289 - material supplier + + + scaling by mirror image linear prediction - + - - - - - - - - - - - - - - - - - - - - specimen - Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen. - - A material entity that has the specimen role. - Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation. - PERSON: James Malone - PERSON: Philippe Rocca-Serra - GROUP: OBI Biomaterial Branch - - specimen + + + digital filtering - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - data transformation - The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value. - - A planned process that produces output data from input data. - Elisabetta Manduchi - Helen Parkinson - James Malone - Melanie Courtot - Philippe Rocca-Serra - Richard Scheuermann - Ryan Brinkman - Tina Hernandez-Boussard - data analysis - data processing - Branch editors - - data transformation + + + Daniel Schober + http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html + 3D strip plot generation + A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. +The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus. - + - - - leave one out cross validation method - The authors conducted leave-one-out cross validation to estimate the strength and accuracy of the differentially expressed filtered genes. http://bioinformatics.oxfordjournals.org/cgi/content/abstract/19/3/368 - - is a data transformation : leave-one-out cross-validation (LOOCV) involves using a single observation from the original sample as the validation data, and the remaining observations as the training data. This is repeated such that each observation in the sample is used once as the validation data - 2009-11-10. Tracker: https://sourceforge.net/tracker/?func=detail&aid=2893049&group_id=177891&atid=886178 - Person:Helen Parkinson - leave one out cross validation method + + + Batman software - + - - - - - - - - - - - - - - - - - - - k-means clustering - - A k-means clustering is a data transformation which achieves a class discovery or partitioning objective, which takes as input a collection of objects (represented as points in multidimensional space) and which partitions them into a specified number k of clusters. The algorithm attempts to find the centers of natural clusters in the data. The most common form of the algorithm starts by partitioning the input points into k initial sets, either at random or using some heuristic data. It then calculates the mean point, or centroid, of each set. It constructs a new partition by associating each point with the closest centroid. Then the centroids are recalculated for the new clusters, and the algorithm repeated by alternate applications of these two steps until convergence, which is obtained when the points no longer switch clusters (or alternatively centroids are no longer changed). - Elisabetta Manduchi - James Malone - Philippe Rocca-Serra - WEB: http://en.wikipedia.org/wiki/K-means - k-means clustering + + + JEOL instrument model - + - - - - - - - - - - - - - - - - - - hierarchical clustering - - A hierarchical clustering is a data transformation which achieves a class discovery objective, which takes as input data item and builds a hierarchy of clusters. The traditional representation of this hierarchy is a tree (visualized by a dendrogram), with the individual input objects at one end (leaves) and a single cluster containing every object at the other (root). - James Malone - WEB: http://en.wikipedia.org/wiki/Data_clustering#Hierarchical_clustering - hierarchical clustering + + + tecmag instrument model - + - - - - - - - - - - - - - - - - - - dimensionality reduction - - A dimensionality reduction is data partitioning which transforms each input m-dimensional vector (x_1, x_2, ..., x_m) into an output n-dimensional vector (y_1, y_2, ..., y_n), where n is smaller than m. - Elisabetta Manduchi - James Malone - Melanie Courtot - Philippe Rocca-Serra - data projection - PERSON: Elisabetta Manduchi - PERSON: James Malone - PERSON: Melanie Courtot - dimensionality reduction + + + Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43 + Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125 + automatic baseline recognition - + - - - principal components analysis dimensionality reduction - - A principal components analysis dimensionality reduction is a dimensionality reduction achieved by applying principal components analysis and by keeping low-order principal components and excluding higher-order ones. - Elisabetta Manduchi - James Malone - Melanie Courtot - Philippe Rocca-Serra - pca data reduction - PERSON: Elisabetta Manduchi - PERSON: James Malone - PERSON: Melanie Courtot - principal components analysis dimensionality reduction + + + Deprecated in favor of CHEBI equivalent class. + + + TSP + obsolete_Trimethylsilyl propionate + true - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - data visualization - Generation of a heatmap from a microarray dataset - - A planned process with the objective to graphically represent some data by inputing the data and outputting images, diagrams or animations. - Elisabetta Manduchi - James Malone - Melanie Courtot - Tina Boussard - data encoding as image - visualization - PERSON: Elisabetta Manduchi - PERSON: James Malone - PERSON: Melanie Courtot - PERSON: Tina Boussard - Possible future hierarchy might include this: -information_encoding ->data_encoding ->>image_encoding - data visualization + + + pulse sequence from Wishart lab library + TMIC lab pulse sequence - + - - - data transformation objective - normalize objective - - An objective specification to transformation input data into output data - Modified definition in 2013 Philly OBI workshop - James Malone - PERSON: James Malone - data transformation objective + + + probe gradient strength - + - - - - - - - - - - - - - - - partitioning data transformation - - A partitioning data transformation is a data transformation that has objective partitioning. - James Malone - PERSON: James Malone - partitioning data transformation + + + e.g. Linux or Windows, ... + NMR acquisition computer operating system - + - - - partitioning objective - A k-means clustering which has partitioning objective is a data transformation in which the input data is partitioned into k output sets. - - A partitioning objective is a data transformation objective where the aim is to generate a collection of disjoint non-empty subsets whose union equals a non-empty input set. - Elisabetta Manduchi - James Malone - PERSON: Elisabetta Manduchi - partitioning objective + + + e.g. Bruker Biospin ICON-NMR + NMR autosampler software - + - + + + Bruker Biospin ICON-NMR software + http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html + + + + + + + + + buffer pH + + + + + + + + + e.g. heavy water (D2O) + lock frequency + field frequency lock + + + + + + + - - - - - + + - - + + - + - - class discovery data transformation - - A class discovery data transformation (sometimes called unsupervised classification) is a data transformation that has objective class discovery. - James Malone - clustering data transformation - unsupervised classification data transformation - PERSON: James Malone - class discovery data transformation + + + + + + + + A calibration compound that has a role concentration calibration compound in nuclear magnetic resonance (NMR) spectroscopy. + + quantitation standard + concentration calibration compound - + - - - class discovery objective - - A class discovery objective (sometimes called unsupervised classification) is a data transformation objective where the aim is to organize input data (typically vectors of attributes) into classes, where the number of classes and their specifications are not known a priori. Depending on usage, the class assignment can be definite or probabilistic. - James Malone - clustering objective - discriminant analysis objective - unsupervised classification objective - PERSON: Elisabetta Manduchi - PERSON: James Malone - class discovery objective + + + NMR acquisition software - + - - - class prediction objective - - A class prediction objective (sometimes called supervised classification) is a data transformation objective where the aim is to create a predictor from training data through a machine learning technique. The training data consist of pairs of objects (typically vectors of attributes) and -class labels for these objects. The resulting predictor can be used to attach class labels to any valid novel input object. Depending on usage, the prediction can be definite or probabilistic. A classification is learned from the training data and can then be tested on test data. - James Malone - classification objective - supervised classification objective - PERSON: Elisabetta Manduchi - PERSON: James Malone - class prediction objective + + + CIMR MI standard - + - - - cross validation objective - - A cross validation objective is a data transformation objective in which the aim is to partition a sample of data into subsets such that the analysis is initially performed on a single subset, while the other subset(s) are retained for subsequent use in confirming and validating the initial analysis. - James Malone - rotation estimation objective - WEB: http://en.wikipedia.org/wiki/Cross_validation - cross validation objective + + + signal line width check - + - - - - - - - - - - - - - - - - - - - - - - - - - clustered data visualization - - A data visualization which has input of a clustered data set and produces an output of a report graph which is capable of rendering data of this type. - James Malone - clustered data visualization + + + signal line width at five percent intensity check - + - + + + NMR spectrum descriptor + - + + + + pulse width + - + - - - example to be eventually removed - example to be eventually removed - + + + hard pulse width + - + - - - failed exploratory term - The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job - Person:Alan Ruttenberg - failed exploratory term - + + + spectrum width + sweep width + - + - - - metadata complete - Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete. - metadata complete - + + + number of data points in spectrum + number of first dimension data points + number of data points + - + - - - organizational term - Term created to ease viewing/sort terms for development purpose, and will not be included in a release - organizational term - + + + tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + x end value + - + - - - ready for release - Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release." - ready for release - + + + y-axis type + - + - - - metadata incomplete - Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors. - metadata incomplete - + + + bucket x center + center of bin on x-axis + - + - - - uncurated - Nothing done yet beyond assigning a unique class ID and proposing a preferred term. - uncurated - + + + NMR spectrum quantification method + spectral quantitation algorithm + - + - - - pending final vetting - All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor. - pending final vetting - + + + The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization. + NMRProcFlow software + http://www.nmrprocflow.org/ + - + - - Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes. - PERSON: Alan Ruttenberg - PERSON: Melanie Courtot - - obsolete_core - true - + + + Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture. + Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219. + Bayesil software + http://bayesil.ca/ + - + - - - placeholder removed - placeholder removed - + + + nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format. + Uses JspectraView Software + nmrML Assign + http://nmrml.bayesil.ca/ + - + - - - terms merged - An editor note should explain what were the merged terms and the reason for the merge. - terms merged - + + + d + doublet feature + - + - - - term imported - This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use. - term imported - + + + t + triplet feature + - + - - - term split - This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created. - term split - + + + q + quatruplet feature + - + - - - universal - Hard to give a definition for. Intuitively a "natural kind" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents. - Alan Ruttenberg - A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf - universal - + + + a set of peaks that are highly correlated in a series of samples + a feature request by Daniel Jacob inserted at IBP hackathon + cluster of peaks across samples + - + - - - defined class - A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal - "definitions", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal. - Alan Ruttenberg - defined class - + + + simulated spectrum + - + - - - named class expression - A named class expression is a logical expression that is given a name. The name can be used in place of the expression. - named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions - Alan Ruttenberg - named class expression - + + + pulse parameter + - + - - - to be replaced with external ontology term - Terms with this status should eventually replaced with a term from another ontology. - Alan Ruttenberg - group:OBI - to be replaced with external ontology term - + + + JEOL FID format + - + - - - requires discussion - A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues. - Alan Ruttenberg - group:OBI - requires discussion - + + + dd + doublet of doublets feature + - + - - - Transformation-ML - Transformation-ML file describing parameter transformations used in a GvHD experiment. - - Transformation-ML is a format standard of a digital entity that is conformant with the Transformation-ML standard.(http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf) - person:Jennifer Fostel - web-page:http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf - Transformation-ML - + + + ABX multiplet pattern + AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods. + http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm + - + - - - ACS - d06.acs, ACS1.0 data file of well D06 of plate 2 of part 1 of a GvHD experiment. - - ACS is a format standard of a digital entity that is conformant with the Analytical Cytometry Standard. (http://www.isac-net.org/content/view/607/150/) - person:Jennifer Fostel - web-page:http://www.isac-net.org/content/view/607/150/ - ACS - + + + s + singlet feature + - + - - - XML - RDF/XML file, OWL file, Compensation-ML file, WSDL document, SVG document - - XML is a format standard of a digital entity that is conformant with the W3C Extensible Markup Language Recommendation.(http://www.w3.org/XML/) - person:Jennifer Fostel - web-page:http://www.w3.org/XML/ - XML - + + + qi + quintet feature + - + - - - RDF - A FOAF file, a SKOS file, an OWL file. - - RDF is a format standard of a digital entity that is conformant with the W3C Resource Description Framework RDF/XML Syntax specification.(http://www.w3.org/RDF/) - person:Jennifer Fostel - web-page:http://www.w3.org/RDF/ - RDF - + + + dt + doublet of triplets + - + - - - zip - MagicDraw MDZIP archive, Java JAR file. - - zip is a format standard of a digital entity that is conformant with the PKWARE .ZIP file format specification (http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/) - person:Jennifer Fostel - web-page:http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/ - zip - + + + td + triplet of douplets + - + - - - tar - Example.tar file. - - tar is a format standard of a digital entity that is conformant with the tape archive file format as standardized by POSIX.1-1998, POSIX.1-2001, or any other tar format compliant with the GNU tar specification. (http://www.gnu.org/software/tar/manual/) - person:Jennifer Fostel - web-page:http://www.gnu.org/software/tar/manual/ - tar - + + + tt + triplet of triplets + - + - - - FCS - d01.fcs, FCS3 data file of well D06 of plate 2 of part 1 of a GvHD experiment. - - FCS is a format standard of a digital entity that is conformant with the Flow Cytometry Data File Standard.(http://www.fcspress.com/) - person:Jennifer Fostel - web-page:http://www.fcspress.com/ - FCS - + + + NMR spectrum by pulse sequence + - + - - - Compensation-ML - compfoo.xml, Compensation-ML file describing compensation used in a GvHD experiment - - Compensation-ML is a format standard of a digital entity that is conformant with the Compensation-ML standard. (http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf) - person:Jennifer Fostel - web-page:http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf - Compensation-ML - + + + NMR spectrum by processing step + - + - - - Gating-ML - foogate.xml, Gating-ML file describing gates used in a GvHD experiment. - - Gating-ML is a format standard of a digital entity that is conformant with the Gating-ML standard. (http://www.flowcyt.org/gating/) - person:Jennifer Fostel - web-page:http://www.flowcyt.org/gating/ - Gating-ML - + + + 2D spectrum coordinate system descriptor + - + - - - OWL - OBI ontology file, Basic Formal Ontology file, BIRNLex file, BioPAX file. - - OWL is a format standard of a digital entity that is conformant with the W3C Web Ontology Language specification.(http://www.w3.org/2004/OWL/) - person:Jennifer Fostel - web-page:http://www.w3.org/2004/OWL/ - OWL - + + + y-axis value type + the subclasses come from the Rubtsov specification + - + - - - - Affymetrix - Affymetrix supplied microarray - - An organization which supplies technology, tools and protocols for use in high throughput applications - Affymetrix - + + + power value type + - + - - - Thermo - - Philippe Rocca-Serra - Thermo - + + + magnitude value type + - + - - - Waters - - Philippe Rocca-Serra - Waters - + + + real value type + - + - - - BIO-RAD - - Philippe Rocca-Serra - BIO-RAD - + + + imaginary value type + - + - - - GenePattern hierarchical clustering - - James Malone - GenePattern hierarchical clustering - + + + complex value types + - + - - - Ambion - - Philippe Rocca-Serra - Ambion - + + + spectral projection axis + - + - - - Helicos - - Philippe Rocca-Serra - Helicos - + + + f1 axis + - + - - - Roche - - Philippe Rocca-Serra - Roche - + + + f2 axis + - + - - - Illumina - - Philippe Rocca-Serra - Illumina - + + + NMR Format converter + - + - - - GenePattern PCA - - GenePattern PCA - + + + BML-NMR identifier + - + - - - - GenePattern module SVM - - GenePattern module SVM is a GenePattern software module which is used to run a support vector machine data transformation. - James Malone - Ryan Brinkman - GenePattern module SVM - + + DEPRECATED will be further specified via a concentration value + Not considered relevant anymore. + DEPRECATED creatinine + true + - + - - - GenePattern k-nearest neighbors - - James Malone - GenePattern k-nearest neighbors - + + + 2D pulse sequence + - + - - - GenePattern LOOCV - - GenePattern LOOCV - + + + used to be labeled 'NMR spectrum simulation' + data simulation + - + - - - GenePattern k-means clustering - - James Malone - GenePattern k-means clustering - + + + DNP NMR + dynamic nuclear polarization enhanced NMR system + dynamic nuclear polarization NMR instrument + - + - - - Agilent - - Philippe Rocca-Serra - Agilent - + + + Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis + http://en.wikipedia.org/wiki/Chemical_shift + chemical shift + - + - - - - GenePattern module KMeansClustering - - GenePattern module KMeansClustering is a GenePattern software module which is used to perform a k Means clustering data transformation. - James Malone - PERSON: James Malone - GenePattern module KMeansClustering - + + + an information object that describes the strength of the NMR signal + nmr signal intensity + - + - - - GenePattern CART - - James Malone - GenePattern CART - + + + baseline correction using polynomial function + - + - - - - - GenePattern module CARTXValidation - - GenePattern module CARTXValidation is a GenePattern software module which uses a CART decision tree induction with a leave one out cross validation data transformations. - GenePattern module CARTXValidation - + + + first transient of the tnnoesy-presaturation pulse sequence + - + - - - Li-Cor - - Philippe Rocca-Serra - Li-Cor - + + + Varian acquisition parameter file + - + - - - Bruker Corporation - - Philippe Rocca-Serra - Bruker Corporation - + + + procpar + - + - - - GenePattern module KNNXValidation - - GenePattern module KNNXValidation is a GenePattern software module which uses a k-nearest neighbours clustering with a leave one out cross validation data transformations. - James Malone - PERSON: James Malone - GenePattern module KNNXValidation - + + + acqus + - + - - - - GenePattern module PeakMatch - - GenePattern module PeakMatch - + + + Bruker acquisition parameter file + - + - - - - GenePattern module KNN - - GenePattern module KNN is a GenePattern software module which perform a k-nearest neighbors data transformation. - James Malone - GenePattern module KNN - + + + NMR + NMR:1000231 + peak feature + - + - - - - GenePattern module HierarchicalClustering - - GenePattern module HierarchicalClustering is a GenePattern software module which is used to perform a hierarchical clustering data transformation. - James Malone - PERSON: James Malone - GenePattern module HierarchicalClustering - + + + global + - + - - - GenePattern SVM - - James Malone - GenePattern SVM - + + + + + + + + + Varian autosampler + - + - - - Applied Biosystems - - Philippe Rocca-Serra - Applied Biosystems - + + + Varian SMS 50 + - + - - - - GenePattern module PCA - - GenePattern module PCA is a GenePattern software module which is used to perform a principal components analysis dimensionality reduction data transformation. - James Malone - PERSON: James Malone - GenePattern module PCA - + + + + + + + + + Varian probe + - + - - - GenePattern peak matching - - James Malone - Ryan Brinkman - GenePattern peak matching - + + + 5mm HCN probe + - + - - - Bruker Daltonics - - Philippe Rocca-Serra - Bruker Daltonics - + + + Varian liquid cold probe + - + - - - GenePattern HeatMapViewer data visualization - - The GenePattern process of generating Heat Maps from clustered data. - James Malone - GenePattern HeatMapViewer data visualization - + + + e.g as in HMDB + reference compound NMR spectrum + - + - - - GenePattern HierarchicalClusteringViewer data visualization - - The GenePattern process of generating hierarchical clustering visualization from clustered data. - James Malone - GenePattern HierarchicalClusteringViewer data visualization - + + + Mestrelab software + - + - - - - GenePattern module HeatMapViewer - - A GenePattern software module which is used to generate a heatmap view of data. - James Malone - GenePattern module HeatMapViewer - + + + ACD spectrus software + - + - - - - GenePattern module HierarchicalClusteringViewer - - A GenePattern software module which is used to generate a view of data that has been hierarchically clustered. - James Malone - GenePattern module HierarchicalClusteringViewer - + + + Mat NMR 3 software + - + - - - Sysmex Corporation, Kobe, Japan - - WEB:http://www.sysmex.com/@2009/08/06 - Sysmex Corporation, Kobe, Japan - + + + NMRLab software + - + - - - U.S. Food and Drug Administration - - FDA - U.S. Food and Drug Administration - + + + Spinworks NMR software + - + - - - right handed - - right handed - + + + NMR software vendor + - + - - - ambidexterous - - ambidexterous - + + + Spinworks + - + - - - left handed - - left handed - + + + iNMR software + - + - - - Edingburgh handedness inventory - - The Edinburgh Handedness Inventory is a set of questions used to assess the dominance of a person's right or left hand in everyday activities. - PERSON:Alan Ruttenberg - PERSON:Jessica Turner - PMID:5146491#Oldfield, R.C. (1971). The assessment and analysis of handedness: The Edinburgh inventory. Neuropsychologia, 9, 97-113 - WEB:http://www.cse.yorku.ca/course_archive/2006-07/W/4441/EdinburghInventory.html - Edingburgh handedness inventory - + + + NMR pipe + - + - - - eBioscience - - Karin Breuer - WEB:http://www.ebioscience.com/@2011/04/11 - eBioscience - + + + cule NMR software + - + - - - Cytopeia - - Karin Breuer - WEB:http://www.cytopeia.com/@2011/04/11 - Cytopeia - + + + Git: nmrML\tools\Parser_and_Converters\Matlab + By Batman/ Tim Ebbels Group + Matlab to nmrML converter + - + - - - Exalpha Biological - - Karin Breuer - WEB:http://www.exalpha.com/@2011/04/11 - Exalpha Biological - + + + Bruker processing parameter file + - + - - - Apogee Flow Systems - - Karin Breuer - WEB:http://www.apogeeflow.com/@2011/04/11 - Apogee Flow Systems - + + + procs + - + - - - Exbio Antibodies - - Karin Breuer - WEB:http://www.exbio.cz/@2011/04/11 - Exbio Antibodies - + + + Varian processing parameter file + - + - - - Becton Dickinson (BD Biosciences) - - Karin Breuer - WEB:http://www.bdbiosciences.com/@2011/04/11 - Becton Dickinson (BD Biosciences) - + + + http://mmcd.nmrfam.wisc.edu/ + PRS: rename 'identifyer' to 'identifier' + Madison Metabolomics Consortium Database MMCD identifier + - + - - - Dako Cytomation - - Karin Breuer - WEB:http://www.dakousa.com/@2011/04/11 - Dako Cytomation - + + + http://bigg.ucsd.edu/ + Bigg metabolomics database identifier + - + - - - Millipore - - Karin Breuer - WEB:http://www.guavatechnologies.com/@2011/04/11 - Millipore - + + + Lorentz-to-Gauss apodization + Functional form: + gm(x_i) = exp(e - g*g) + Where: e = pi*i*g1 + g = 0.6*pi*g2*(g3*(size-1)-i) + Parameters: + * data Array of spectral data. + * g1 Inverse exponential width. + * g2 Gaussian broaden width. + * g3 Location of gauss maximum. + * inv Set True for inverse apodization. + Lorentz Gaussian window function + - + - - - Antigenix - - Karin Breuer - WEB:http://www.antigenix.com/@2011/04/11 - Antigenix - + + + TRAF + Transform of Reverse Added FIDs + traf window function + A Window function described by Daniel Traficante in their original paper. + - + - - - Partec - - Karin Breuer - WEB:http://www.partec.de/@2011/04/11 - Partec - + + + TRAFS + trafs window function + - + - - - Beckman Coulter - - Karin Breuer - WEB:http://www.beckmancoulter.com/@2011/04/11 - Beckman Coulter - + + + peak fitting + - + - - - Advanced Instruments Inc. (AI Companies) - - Karin Breuer - WEB:http://www.aicompanies.com/@2011/04/11 - Advanced Instruments Inc. (AI Companies) - + + + peak assignment + - + - - - Miltenyi Biotec - - Karin Breuer - WEB:http://www.miltenyibiotec.com/@2011/04/11 - Miltenyi Biotec - + + + deconvolution + - + - - - AES Chemunex - - Karin Breuer - WEB:http://www.aeschemunex.com/@2011/04/11 - AES Chemunex - + + + A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks. + chemical shift sorting + - + - - - Bentley Instruments - - Karin Breuer - WEB:http://bentleyinstruments.com/@2011/04/11 - Bentley Instruments - + + + fid file + - + - - - Invitrogen - - Karin Breuer - WEB:http://www.invitrogen.com/@2011/04/11 - Invitrogen - + + + Varian FID file + - + - - - Luminex - - Karin Breuer - WEB:http://www.luminexcorp.com/@2011/04/11 - Luminex - + + + Bruker FID file + - + - - - CytoBuoy - - Karin Breuer - WEB:http://www.cytobuoy.com/@2011/04/11 - CytoBuoy - + + + Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061 + Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing + ERVA-based bucketing + - + - - - Nimblegen - - An organization that focuses on manufacturing target enrichment probe pools for DNA sequencing. - Person: Jie Zheng - Nimblegen - + + + cluster of peaks + - + - - - Pacific Biosciences - - An organization that supplies tools for studying the synthesis and regulation of DNA, RNA and protein. It developed a powerful technology platform called single molecule real-time (SMRT) technology which enables real-time analysis of biomolecules with single molecule resolution. - Person: Jie Zheng - Pacific Biosciences - + + + Match NMR tube + - + - - - NanoString Technologies - - An organization that supplies life science tools for translational research and molecular diagnostics based on a novel digital molecular barcoding technology. The NanoString platform can provide simple, multiplexed digital profiling of single molecules. - NanoString Technologies - + + + shaped tube + - + - - - Thermo Fisher Scientific - - An organization that is an American multinational, biotechnology product development company, created in 2006 by the merger of Thermo Electron and Fisher Scientific. - Chris Stoeckert, Helena Ellis - https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific - Thermo Fisher Scientific - + + + Shigemi tube + - + - - - G1: Well differentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells and the organization of the tumor tissue appear close to normal. - Chris Stoeckert, Helena Ellis - G1 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G1: Well differentiated - + + + standard tube + - + - - - G2: Moderately differentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells are moderately differentiated and reflect an intermediate grade. - Chris Stoeckert, Helena Ellis - G2 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G2: Moderately differentiated - + + + + + + + + + Bruker tube + - + - - - G3: Poorly differentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells are poorly differentiated and do not look like normal cells and tissue. - Chris Stoeckert, Helena Ellis - G3 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G3: Poorly differentiated - + + + + + + + + + JEOL magnet + http://www.jeolusa.com/PRODUCTS/Nuclear-Magnetic-Resonance/Magnets + - + - - - G4: Undifferentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells are undifferentiated and do not look like normal cells and tissue. - Chris Stoeckert, Helena Ellis - G4 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G4: Undifferentiated - + + + JEOL ECS magnet + - + - - - G1 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are round, uniform, approximately 10um and that nucleoli are inconspicuous or absent. - Chris Stoeckert, Helena Ellis - Grade 1 - NCI BBRB, OBI - NCI BBRB - G1 (Fuhrman) - + + + JEOL ECA magnet + - + - - - G2 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are slightly irregular, approximately 15um and nucleoli are evident. - Chris Stoeckert, Helena Ellis - Grade 2 - NCI BBRB, OBI - NCI BBRB - G2 (Fuhrman) - + + + JEOL ECX magnet + - + - - - G3 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are very irregular, approximately 20um and nucleoli large and prominent. - Chris Stoeckert, Helena Ellis - Grade 3 - NCI BBRB, OBI - NCI BBRB - G3 (Fuhrman) - + + + Varian NMR software + - + - - - G4 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei arei bizarre and multilobulated, 20um or greater and nucleoli are prominent and chromatin clumped. - Chris Stoeckert, Helena Ellis - Grade 4 - NCI BBRB, OBI - NCI BBRB - G4 (Fuhrman) - + + + VnmrJ software + - + - - - Low grade ovarian tumor - - A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is low grade. - Chris Stoeckert, Helena Ellis - Low grade - NCI BBRB, OBI - NCI BBRB - Low grade ovarian tumor - + + + + + + + + + Wilmad tube + - + - - - High grade ovarian tumor - - A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is high grade. - Chris Stoeckert, Helena Ellis - High grade - NCI BBRB, OBI - NCI BBRB - High grade ovarian tumor - + + + 4mm Match tube + - + - - - G1 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is well differentiated. - Chris Stoeckert, Helena Ellis - G1 - NCI BBRB, OBI - NCI BBRB - G1 (WHO) - + + + 2.5mm Match tube + - + - - - G2 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is moderately differentiated. - Chris Stoeckert, Helena Ellis - G2 - NCI BBRB, OBI - NCI BBRB - G2 (WHO) - + + + 3mm Match tube + - + - - - G3 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is poorly differentiated. - Chris Stoeckert, Helena Ellis - G3 - NCI BBRB, OBI - NCI BBRB - G3 (WHO) - + + + 5mm Match tube + - + - - - G4 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is undifferentiated. - Chris Stoeckert, Helena Ellis - G4 - NCI BBRB, OBI - NCI BBRB - G4 (WHO) - + + + 1mm Match tube + - + - - - pT0 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT0 (colon) - + + + 1.7mm Match tube + - + - - - pTis (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating carcinoma in situ (intraepithelial or invasion of lamina propria). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pTis (colon) - + + + 2mm Match tube + - + - - - pT1 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades submucosa. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT1 (colon) - + + + 4.25mm Match tube + - + - - - pT2 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades muscularis propria. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT2 (colon) - + + + 3mm standard tube + - + - - - pT3 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades subserosa or into non-peritionealized pericolic or perirectal tissues. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT3 (colon) - + + + 5mm standard tube + - + - - - pT4a (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor perforates visceral peritoneum. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT4a (colon) - + + + 1mm standard tube + - + - - - pT4b (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor directly invades other organs or structures. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT4b (colon) - + + + 1.7mm standard tube + - + - - - pT0 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT0 (lung) - + + + Wilmad economy tube + - + - - - pTis (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating carcinoma in situ. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pTis (lung) - + + + Wilmad precision tube + - + - - - pT1 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 3 cm or less in greatest dimension, surrounded by lung or visceral pleura without bronchoscopic evidence of invasion more proximal than the lobar bronchus (i.e., not in the main bronchus). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT1 (lung) - + + + + + + + + + Norell tube + - + - - - pT1a (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 2 cm or less in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT1a (lung) - + + + JEOL FID file + - + - - - pT1b (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 2 cm but not more than 3 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT1b (lung) - + + + Git: nmrML\tools\Parser_and_Converters\R + R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de + nmRIO + - + - - - pT2 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 7 cm or the tumor has any of the following features: involves main bronchus, 2 cm or more distal to the carina, invades visceral pleura, associated with atelectasis or obstructive pneumonitis that extends to the hilar region but does not involve the entire lung. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT2 (lung) - + + + Git: nmrML\tools\Parser_and_Converters\R\rNMR-IO + rNMR-IO + + + + + + + + + Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. +As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. + +The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. + +The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step. + Git: nmrML\tools\Parser_and_Converters\Java\converter + Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion. + Vendor2nmrML_Java + + + + + + + + + + + + + + + Agilent magnet + Varian magnet + + + + + + + + + premium compact narrow bore magnet + + + + + + + + + premium shielded narrow bore magnet + + + + + + + + + premium shielded wide bore magnet + + + + + + + + + modified gaussian apodization + Functional form: + gmb(x_i) = exp(-a*i - b*i*i) + Parameters: + * data Array of spectral data. + * a Exponential term. + * b Gaussian term. + * inv Set True for inverse apodization. + modified Gaussian window function + + + + + + + + + exponentially damped J-modulation apodization + Functional form: + jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) + Parameters: + * data Array of spectral data. + * e Exponential term. + * off Start of modulation in fraction of pi radians. + * end End of modulation in fraction of pi radians. + * inv Set True for inverse apodization + exponentially damped J-modulation window function + + + + + + + + + shifted sine-bell apodization + Functional form: + sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow + Parameters: + * data Array of spectral data. + * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) + * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) + * pow Power of Sine-Bell + * inv Set True for inverse apodization. + shifted sine bell window function + + + + + + + + + triangle apodization + Functional form: + 0:loc linear increase/decrease from lHi to 1.0 + loc: linear increase/decrease from 1.0 to rHi + + Parameters: + * data Array of spectral data. + * loc Location of apex, "auto" sets to middle. + * lHi Left side starting height. + * rHi Right side starting height. + * inv Set True for inverse apodization. + triangle window function + + + + + + + + + The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry. + acquisition log file + + + + + + + + + Git: nmrML\tools\Parser_and_Converters\python + A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton. + PynmrML + + + + + + + + + A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources. + Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380 + MetaboAnalyst software + www.metaboanalyst.ca + + + + + + + + + acqu2s + + + + + + + + + acqu3s + + + + + + + + + proc2s + + + + + + + + + proc3s + + + + + + + + + NMR spectrum file + + + + + + + + + Bruker NMR spectrum file + + + + + + + + + 1R file + + + + + + + + + title file + + + + + + + + + A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes. + Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486 + XEASY software + + + + + + + + + NMR spectrum vizualisation software + + + + + + + + + Used in NMR Assign tool for Baysil + JspectraView software + + + + + + + + + cryoprobe + + + + + + + + + inverse detection NMR probe + + + + + + + + + + + + 5mm inverse detection cryoprobe + + + + + + + + + Git: nmrML\tools\Visualizers\PMB_NMRviewer + Developed by Daniel Jacob, INRA Bordeaux + NMRViewer software + http://services.cbib.u-bordeaux2.fr/SPECNMR/examples + + + + + + + + + material processing + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AB multiplet pattern + + + + + + + + + + + + + + + + + + + + + + + + + + NMR solvent + A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy + NMR solvent (molecular entity) + + + + + + true + + + + + NMR solvent (molecular entity) + We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI. + + + + + + + + + Use Chebi entities here. + NMR buffer + + + + + + + + + presat water suppression + + + + + + + + + Varian VNMRS 600 + + + + + + + + + data content encoding + + + + + + + + + data compression scheme + + + + + + + + + byte format + + + + + + + + + zlib + + + + + + + + + complex64 + This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values. + + + + + + + + + complex128 + This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values. + + + + + + + + + binary data compression type + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AB2 multiplet pattern + + + + + + + + + data encoding parameter + + + + + + + + + uncompressed data + + + + + + + + + DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer + DSPFVS + digital signal processing firmware version + + + + + + + + + DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid. + DECIM + decimation factor + + + + + + + + + GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. "The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.") + GRPDLY + group time delay + + + + + + + + + NMR sampling strategy + a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition. + + + + + + + + + continuous sampling + uniform sampling + With uniform sampling, each sample is separated by the "dwell time". + With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform + + + + + + + + + http://link.springer.com/chapter/10.1007%2F1-4020-3910-7_142#page-1 + sparse sampling + non-uniform sampling + with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data. + Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly + + + + + + + + + Bruker XWIN-NMR software + + + + + + + + + software attribute + + + + + + + + + NMR software version + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + ABX3 multiplet pattern + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AA'BB' multiplet pattern + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AA'XX' multiplet pattern + + + + + + + + + variable size bucketing + + + + + + + + + uniform bucketing + + + + + + + + + intelligent bucketing + + + + + + + + + bucket importing + + + + + + + + + put in as reqired by NMRProcFlow tool + bucket resetting + + + + + + + + + as needed for nmrProcFlow + global baseline correction + + + + + + + + + as needed for nmrProcFlow + local baseline correction + + + + + + + + + bucket fusioning + + + + + + + + + duplicate of http://nmrML.org/nmrCV#NMR:1400227 + + + obsolete_JNM-ECX Series FT NMR instrument + true + + + + + + + + + JNM-ECZR Series FT NMR instrument + JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. +Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. +The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. +400 MHz - 1 GHz + + + + + + + + + JNM-ECZS Series FT NMR instrument + The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. +Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. +Whatever your application field ECZS can demonstrate its power. +400 MHz + + + + + + + + + AVANCE III HD + + + + + + + + + NanoBay400 MHz + + + + + + + + + Fourier 300HD + + + + + + + + + DNP-NMR + + + + + + + + + LC-NMR instrument + + + + + + + + + LC-NMR/MS instrument + + + + + + + + + Food-Screener instrument + + + + + + + + + AVANCE IVDr + + + + + + + + + JEOL Resonance 400MHz YH magnet + + + + + + + + + JEOL Resonance 500MHz magnet + + + + + + + + + JEOL Resonance 600MHz magnet + + + + + + + + + JEOL Resonance 700MHz magnet + + + + + + + + + JEOL Resonance 800MHz magnet + + + + + + + + + single peak feature + + + + + + + + + NMR instrument vendor + Any organisation ort person that sells NMR instruments to customers. + + + + + + + + + Avance I spectrometer + + + + + + + + + Varian Inova 500 + + + + + + + + + Varian VNMRS instrument + + + + + + + + + Varian Mercury plus + + + + + + + + + Varian UnityInova instrument + + + + + + + + + Varian 400-MR NMR instrument + + + + + + + + + Varian DDR2 instrument + + + + + + + + + + + + + + + Agilent NMR instrument + + + + + + + + + Agilent 400-MR NMR instrument + + + + + + + + + Varian Mercury 400 + + + + + + + + + Agilent Au 400 (DDR2 Console) + + + + + + + + + Agilent DDR 2 w/ HCN cryoprobe + + + + + + + + + BMRB identifier + + + + + + + + + TM1 + 0<TM1<1 + left trapezoid limit + + + + + + + + + trapezoid window function parameter + + + + + + + + + complex64 Integer + This byte format uses a consecutive array of two 32bit integer numbers to represent the real and imaginary part of the complex values (2x32bits=>2x4bytes=> 2 integers) for the FID datatype. + + + + + + + + + complex128 Integer + This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype. + + + + + + + + + TM2 + 0<TM2<1 + right trapezoid limit + + + + + + + + + 30 degree pulse duration + thirty degree pulse duration + The duration of the excitation pulse needed to rotate the magnetisation vector by 30 degrees. + + + + + + + + + InChi + + + + + + + + + inchikey + + + + + + + + + WLN + Wiswesser Line Notation + + + + + + + + + ROSDAL + + + + + + + + + SLN-Tripos + + + + + + + + + smarts + + + + + + + + + line representation + + + + + + + + + 2D topological molecule representation + + + + + + + + + 2D bond line structure + + + + + + + + + 3D geometrical molecule representation + + + + + + + + + 3D bond line structure + + + + + + + + + CAS number + + + + + + + + + fingerprint model + + + + + + + + + molfile + + + + + + + + + compound similarity measure + + + + + + + + + Tanimoto similarity + + + + + + + + + Gaussian window function parameter + + + + + + + + Not considered relevant anymore. + DEPRECATED 2,2-Dimethyl-2-silapentane-5-sulfonate + true + + + + + + + + + Gaussian maximum position + + + + + + + + + A chemical shift reference compound used for 2H spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 2H spectra. The children of this class were manually asserted. + 2H spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 2H spectra according to IUPAC recommendations. + + + + + + + + + + ABX2 multiplet pattern + + + + + + + + + DRX 600 instrument + + + + + + + + + plot and graph generation + + + + + + + + + reference deconvolution + vertical alignment of on and offset of the peak of the reference compound. + + + + + + + + + spectral smoothing + the process of removing noisy jitters in a spectral curve to get clearer and more meaningful signals and peaks. + + + + + + + + + NMR database format + + + + + + + + + M. Yokochi, N. Kobayashi, E. L. Ulrich, A. R. Kinjo, T. Iwata, Y. E. Ioannidis, M. Livny, J. L. Markley, H. Nakamura, C. Kojima, T. Fujiwara, “Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins,” Journal of Biomedical Semantics, 5:7:16 (2016) + BMRB/XML file format + + + + + + + + + nD spectrum + + + + + + + + + Terms used to describe types of data processing. + data processing + NMR + NMR:1000452 + NMR data conversion + + + + + Terms used to describe types of data processing. + MSI:NMR + + + + + + + + + tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober + NMR + NMR:1000457 + sample + + + + + tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober + MSI:NMR + + + + + + + + + Description of the instrument or the mass spectrometer. + not needed as OBI has better equivalent + + + instrument configuration + NMR + NMR:1000463 + obsolete_instrument + true + + + + + Description of the instrument or the mass spectrometer. + MSI:NMR + + + + + + + + + Varian instrument model. + NMR + NMR:1000489 + Varian/Agilent instrument model + + + + + Varian instrument model. + MSI:NMR + + + + + + + + + Instrument properties that are associated with a value. + NMR + NMR:1000496 + instrument attribute + + + + + Instrument properties that are associated with a value. + MSI:NMR + + + + + + + + + Describes the data content on the file. + NMR + NMR:1000524 + data file content + + + + + Describes the data content on the file. + MSI:NMR + + + + + + + + + Serial Number of the instrument. + value-type:xsd:string + NMR + NMR:1000529 + instrument serial number + + + + + Serial Number of the instrument. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Conversion of one file format to another. + NMR + NMR:1000530 + file format conversion + + + + + Conversion of one file format to another. + MSI:NMR + + + + + + + + + Software related to the recording or transformation of spectra. + NMR + NMR:1000531 + software + + + + + Software related to the recording or transformation of spectra. + MSI:NMR + + + + + + + + + Object Attribute. + NMR + NMR:1000547 + object attribute + + + + + Object Attribute. + MSI:NMR + + + + + + + + + Sample properties that are associated with a value. + NMR + NMR:1000548 + sample attribute + + + + + Sample properties that are associated with a value. + MSI:NMR + + + + + + + + + Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data. + NMR + NMR:1000561 + data file checksum type + + + + + Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data. + MSI:NMR + + + + + + + + + MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files. + value-type:xsd:string + NMR + NMR:1000568 + MD5 + + + + + MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity. + value-type:xsd:string + NMR + NMR:1000569 + SHA-1 + + + + + SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Describes the type of file and its content. + source file + NMR + NMR:1000577 + NMR raw data file format + + + + + Describes the type of file and its content. + MSI:NMR + + + + + + + + + Details about a person or organization to contact in case of concern or discussion about the file. + NMR + NMR:1000585 + contact attribute + + + + + Details about a person or organization to contact in case of concern or discussion about the file. + MSI:NMR + + + + + + + + + Name of the contact person or organization. + value-type:xsd:string + NMR + NMR:1000586 + contact name + + + + + Name of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Postal address of the contact person or organization. + value-type:xsd:string + NMR + NMR:1000587 + contact address + + + + + Postal address of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Uniform Resource Locator related to the contact person or organization. + value-type:xsd:string + NMR + NMR:1000588 + contact URL + + + + + Uniform Resource Locator related to the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Email address of the contact person or organization. + value-type:xsd:string + NMR + NMR:1000589 + contact email + + + + + Email address of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Home institution of the contact person. + value-type:xsd:string + NMR + NMR:1000590 + contact organization + + + + + Home institution of the contact person. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Data processing parameter used in the data processing performed on the data file. + NMR + NMR:1000630 + data processing parameter + + + + + Data processing parameter used in the data processing performed on the data file. + MSI:NMR + + + + + + + + + The time that a data processing action was finished. + value-type:xsd:date + NMR + NMR:1000747 + data processing completion time + + + + + The time that a data processing action was finished. + MSI:NMR + + + + + value-type:xsd:date + The allowed value-type for this CV term. + + + + + + + + + Describes how the native spectrum identifiers are formated. + nativeID format + NMR + NMR:1000767 + FID format + + + + + Describes how the native spectrum identifiers are formated. + MSI:NMR + + + + + + + + + file=xsd:IDREF. + NMR + NMR:1000773 + The nativeID must be the same as the source file ID. + Bruker FID format + + + + + file=xsd:IDREF. + MSI:NMR + + + + + + + + + A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added. + value-type:xsd:string + NMR + NMR:1000799 + custom unreleased software + + + + + A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Description of the preparation steps which took place before the measurement was performed. + NMR + NMR:1000831 + sample preparation information + + + + + Description of the preparation steps which took place before the measurement was performed. + MSI:NMR + + + + + + + + + A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction. + Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + NMR + NMR:1000859 + obsolete_molecule + true + + + + + A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction. + MSI:NMR + + + + + + + + + A compound of low molecular weight that is composed of two or more amino acids. + Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + NMR + NMR:1000860 + obsolete_peptide + true + + + + + A compound of low molecular weight that is composed of two or more amino acids. + MSI:NMR + + + + + + + + + A describable property of a chemical compound. + NMR + NMR:1000861 + chemical compound attribute + + + + + A describable property of a chemical compound. + MSI:NMR + + + + + + + + + The pH of a solution at which a charged molecule does not migrate in an electric field. + value-type:xsd:float + pI + NMR + NMR:1000862 + isoelectric point + + + + + The pH of a solution at which a charged molecule does not migrate in an electric field. + MSI:NMR + + + + + value-type:xsd:float + The allowed value-type for this CV term. + + + + + + + + + The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm. + value-type:xsd:float + predicted pI + NMR + NMR:1000863 + predicted isoelectric point + + + + + The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm. + MSI:NMR + + + + + value-type:xsd:float + The allowed value-type for this CV term. + + + + + + + + + A combination of symbols used to express the chemical composition of a compound. + NMR + NMR:1000864 + chemical compound formula + + + + + A combination of symbols used to express the chemical composition of a compound. + MSI:NMR + + + + + + + + + A chemical formula which expresses the proportions of the elements present in a substance. + value-type:xsd:string + NMR + NMR:1000865 + empirical formula + + + + + A chemical formula which expresses the proportions of the elements present in a substance. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked. + value-type:xsd:string + NMR + NMR:1000866 + molecular formula + + + + + A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other. + value-type:xsd:string + NMR + NMR:1000867 + structural formula + + + + + A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string. + value-type:xsd:string + NMR + NMR:1000868 + SMILES string + + + + + The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + An identifier/accession number to an external reference database. + NMR + NMR:1000878 + external reference identifier + + + + + An identifier/accession number to an external reference database. + MSI:NMR + + + + + + + + + A unique identifier for a publication in the PubMed database (MIR:00000015). + value-type:xsd:integer + NMR + NMR:1000879 + PubMed identifier + + + + + A unique identifier for a publication in the PubMed database (MIR:00000015). + MSI:NMR + + + + + value-type:xsd:integer + The allowed value-type for this CV term. + + + + + + + + + A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight. + Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + + NMR + NMR:1000881 + Use Chebi entities here. + obsolete_chemical compound + true + + + + + A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight. + MSI:NMR + + + + + + + + + A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein. + Not considered relevant anymore, and if this might change CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + NMR + NMR:1000882 + obsolete_protein + true + + + + + A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein. + MSI:NMR + + + + + + + + + A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN). + value-type:xsd:string + NMR + NMR:1000883 + protein short name + + + + + A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN). + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + An nonphysical attribute describing a specific protein. + NMR + NMR:1000884 + protein attribute + + + + + An nonphysical attribute describing a specific protein. + MSI:NMR + + + + + + + + + Accession number for a specific protein in a database. + value-type:xsd:string + NMR + NMR:1000885 + protein accession + + + + + Accession number for a specific protein in a database. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A long name describing the function of the protein. + value-type:xsd:string + NMR + NMR:1000886 + protein name + + + + + A long name describing the function of the protein. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + An nonphysical attribute that can be used to describe a peptide. + NMR + NMR:1000887 + peptide attribute + + + + + An nonphysical attribute that can be used to describe a peptide. + MSI:NMR + + + + + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present. + value-type:xsd:string + NMR + NMR:1000888 + unmodified peptide sequence + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu). + value-type:xsd:string + NMR + NMR:1000889 + modified peptide sequence + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu). + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A state description of how a peptide might be isotopically or isobarically labelled. + NMR + NMR:1000890 + peptide labeling state + + + + + A state description of how a peptide might be isotopically or isobarically labelled. + MSI:NMR + + + + + + + + + A peptide that has been created or labeled with some heavier-than-usual isotopes. + NMR + NMR:1000891 + heavy labeled peptide + + + + + A peptide that has been created or labeled with some heavier-than-usual isotopes. + MSI:NMR + + + + + + + + + A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as "light" to distinguish from "heavy". + light labeled peptide + NMR + NMR:1000892 + unlabeled peptide + + + + + A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as "light" to distinguish from "heavy". + MSI:NMR + + + + + + + + + An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label. + value-type:xsd:string + NMR + NMR:1000893 + peptide group label + + + + + An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence. + NMR + NMR:1000898 + data standard + + + + + Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence. + MSI:NMR + + + + + + + + + A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard. + MS_1000899 + NMR + NMR:1000899 + de facto standard + + + + + A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard. + MSI:NMR + + + + + + + + + A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result. + MS_1000899 + NMR + NMR:1000900 + minimum information standard + + + + + A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result. + MSI:NMR + + + + + + + + + A file that has two or more columns of tabular data where each column is separated by a TAB character. + NMR + NMR:1000914 + tab delimited text file + + + + + A file that has two or more columns of tabular data where each column is separated by a TAB character. + MSI:NMR + + + + + + + + + Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation. + value-type:xsd:string + NMR + NMR:1000933 + protein modification + + + + + Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Name of the gene from which the protein is translated. + value-type:xsd:string + NMR + NMR:1000934 + gene name + + + + + Name of the gene from which the protein is translated. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Type of the source file, the nmrIdentML was created from. + NMR + NMR:1001040 + intermediate analysis format + + + + + Type of the source file, the nmrIdentML was created from. + MSI:MI + + + + + + + + + Source file for this nmrIdentML was a data set in a database. + NMR + NMR:1001107 + data stored in database + retire? Consider: "NMR database format" ? + + + + + Source file for this nmrIdentML was a data set in a database. + MSI:MI + + + + + + + + + NMR + NMR:1001267 + software vendor + + + + + + + + + value-type:xsd:string + NMR + NMR:1001268 + programmer + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + value-type:xsd:string + NMR + NMR:1001269 + instrument vendor + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + value-type:xsd:string + NMR + NMR:1001270 + lab personnel + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + NMR + NMR:1001271 + researcher + + + + + + + + + Analysis software. + NMR + NMR:1001456 + analysis software + + + + + Analysis software. + MSI:NMR + + + + + + + + + Conversion software. + NMR + NMR:1001457 + data processing software + + + + + Conversion software. + MSI:NMR + + + + + + + + + Format of data files. + NMR + NMR:1001459 + data file format + + + + + Format of data files. + MSI:NMR + + + + + + + + + Phone number of the contact person or organization. + value-type:xsd:string + NMR + NMR:1001755 + contact phone number + + + + + Phone number of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Fax number for the contact person or organization. + value-type:xsd:string + NMR + NMR:1001756 + contact fax number + + + + + Fax number for the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Toll-free phone number of the contact person or organization. + value-type:xsd:string + NMR + NMR:1001757 + contact toll-free phone number + + + + + Toll-free phone number of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + DOI unique identifier. + value-type:xsd:string + NMR + NMR:1001922 + Digital Object Identifier (DOI) + + + + + DOI unique identifier. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Free text attribute that can enrich the information about an entity. + value-type:xsd:string + NMR + NMR:1001923 + external reference keyword + + + + + Free text attribute that can enrich the information about an entity. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Keyword present in a scientific publication. + value-type:xsd:string + NMR + NMR:1001924 + journal article keyword + + + + + Keyword present in a scientific publication. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Keyword assigned by the data submitter. + value-type:xsd:string + NMR + NMR:1001925 + submitter keyword + + + + + Keyword assigned by the data submitter. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Keyword assigned by a data curator. + value-type:xsd:string + NMR + NMR:1001926 + curator keyword + + + + + Keyword assigned by a data curator. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Parameters used in the NMR spectrometry acquisition. + value-type:xsd:string + NMR + NMR:1001954 + NMR acquisition parameter + + + + + Parameters used in the NMR spectrometry acquisition. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A unique identifier for a metabolite in the HMDB database (HMDB00001). + value-type:xsd:integer + NMR + NMR:1002000 + HMDB identifier + + + + + A unique identifier for a metabolite in the HMDB database (HMDB00001). + MSI:NMR + + + + + value-type:xsd:integer + The allowed value-type for this CV term. + + + + + + + + + Chenomx software for data acquisition and analysis. + NMR + NMR:1002001 + Chenomx software + + + + + Chenomx software for data acquisition and analysis. + MSI:NMR + + + + + + + + + Chenomx software for data analysis. + http://www.chenomx.com/software/ + NMR + NMR:1002002 + Chenomx NMR Suite software + + + + + Chenomx software for data analysis. + MSI:NMR + + + + + + + + + file=xsd:IDREF. + NMR + NMR:1002003 + The nativeID must be the same as the source file ID. + Varian FID format + + + + + file=xsd:IDREF. + MSI:NMR + + + + + + + + + The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format. + NMR + NMR:1002004 + NMR spectrometer file format + + + + + The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format. + MSI:NMR + + + + + + + + + Simple text file of peaks. + NMR + NMR:1002005 + text file + + + + + Simple text file of peaks. + MSI:PI + + + + + + + + + Parameter file used to configure the acquisition of raw data on the instrument. + NMR + NMR:1002006 + acquisition parameter file + + + + + Parameter file used to configure the acquisition of raw data on the instrument. + MSI:NMR + + + + + + + + + tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. + def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. + synonym: NMR spectrum + as designated Experiment type on http://www.bmrb.wisc.edu/tools/choose_pulse_info.php + NMR + NMR:1002007 + NMR spectrum + + + + + + + + + Conversion of a file format to Metabolomics Standards Initiative nmrData file format. + NMR + NMR:1002008 + conversion to nmrML + + + + + Conversion of a file format to Metabolomics Standards Initiative nmrData file format. + MSI:NMR + + + + + + + + + Conversion of a file format to JCAMP-DX file format. + NMR + NMR:1002009 + conversion to JCAMP-DX + + + + + Conversion of a file format to JCAMP-DX file format. + MSI:NMR + + + + + + + + + value-type:xsd:string + NMR + NMR:1002010 + NMR solvent information + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + pH. + value-type:xsd:string + NMR + NMR:1002011 + pH + + + + + pH. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM. + https://github.com/nmrML/nmrML/issues/29#issue + value-type:xsd:string + NMR + NMR:1002013 + chemical shift reference + + + + + Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A bin for a spectrum. + value-type:xsd:string + bucketed spectrum descriptor + NMR + NMR:1002014 + binned spectrum descriptor + + + + + A bin for a spectrum. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Bin label. + value-type:xsd:string + NMR + NMR:1002015 + bin label + + + + + Bin label. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Bin start. + value-type:xsd:decimal + NMR + NMR:1002016 + bin start + + + + + Bin start. + MSI:NMR + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Bin end. + value-type:xsd:decimal + NMR + NMR:1002017 + bin end + + + + + Bin end. + MSI:NMR + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Bin area. + value-type:xsd:decimal + NMR + NMR:1002018 + bin area + + + + + Bin area. + MSI:NMR + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Name of metabolite. + value-type:xsd:string + NMR + NMR:1002020 + assigned chemical compound name + + + + + Name of metabolite. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + value-type:xsd:decimal + NMR + NMR:1002021 + assigned chemical compound concentration + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Hilbert transformation based scaling + + + + + + + + + + + + + + + + + This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact. + + def: Part of an NMR instrument which is not cardinally important and hence optional / facultative for the proper intended function of the instrument. + synonym: optional part of NMR instrument + clsdel: ontologically there is no such universal which characteristic is a possible (!) state of being a part of something... + optional part of NMR instrument + TODO: Discuss "obligatory_part_of". + + + + + + + + + + def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. + altdef: The autosampler is an automatic sample changer. + NMR autosampler + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + multiplicity + multiplicity feature + + + + + + + + + tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. + defprov: Daniel Schober + projected spectrum + + + + + + + + + binned spectrum + def: A post-processed NMR spectrum in which the y-values of the datapoints have been summed based on periodic ranges of the x-axis values. + bucketed spectrum + TODO: has spectral post processing parameter + + + + + + + + + defneed + peak-picked spectrum + TODO: has spectral post processing parameter. + + + + + + + + + + + + + + + + + + + + + + + + + + This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact. + + def: A part of an NMR instrument which is cardinally important and hence obligatory and compulsatory for the proper intended function of the instrument. + synonym: cardinal part of NMR instrument + cardinal part of NMR instrument + + + + + + + + + + + def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers. + NMR acquisition computer + + + + + + + + + + + def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. + altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample. + NMR probe + + + + + + + + + + def: A component of an NMR instrument that controls the activities of the other components. + NMR console + TODO: same as or part of acquisition computer? + + + + + + + + + tempdef: The number of data points in a data set. + number of acquisition data points + + + + + + + + + def: A frequency used during Hadamard encoding. + hadamard frequency + + + + + + + + + def: The axis onto which the spectrum was projected. + projection axis + + + + + + + + + 90 degree pulse duration + ninety degree pulse duration + The duration of the excitation pulse needed to rotate the magnetisation vector by 90 degrees. + + + + + + + + + def: A digital sampling interval. + alsprcls: time interval + dwell time + + + + + + + + + def: The temperature of an item of analysis material whilst in an autosampler. + sample temperature in autosampler + + + + + + + + + def: The temperature of an NMR sample whilst in the magnet of an NMR instrument. + sample temperature in magnet + + + + + + + + + def: The frequency of the RF radiation used to irradiate an NMR sample. + irradiation frequency + + + + + + + + + def: The intensity of an electric, magnetic, or other field. + field strength + + + + + + + + + def: The rate at which an item of analysis material is spun. + spinning rate + + + + + + + + + def: An indication of whether the nucleus being studied is the acquitsition nucleus. + decoupled nucleus flag + + + + + + + + + def: A compound added to a sample to alter its pH value. + buffer information + + + + + + + + + + + + + + + + + + + + + + + + + + A molecular entity that has a calibration compound role in nuclear magnetic resonance (NMR) spectroscopy. + + calibration compound + + + + + + + + + + + + + + + + + + + + + + + + + + A chemical shift calibration compound that has a chemical shift reference compound role in nuclear magnetic resonance (NMR) spectroscopy. + + http://www.nmrnotes.org/NMRPages/refcomps.html + https://github.com/nmrML/nmrML/issues/31 + https://github.com/nmrML/nmrML/issues/33 + chemical shift reference compound + + + + + + + + + def: The compound that produced a peak that is measured to assess the quality of a data set. + quality check compound signal + + + + + + + + + http://www.bmrb.wisc.edu/tools/choose_pulse_info.php + https://github.com/nmrML/nmrML/issues/40 + def: A sequence of excitation pulses. + NMR pulse sequence + May later import from + +http://purl.obolibrary.org/obo/CHMO_0001841 + See also http://www.jcamp-dx.org/protocols/NMR%20Pulse%20Sequences%20PAC%2079(11)%20pp1748-1764%202001.pdf + + + + + + + + + nmr-spectrum data processing + post-FT data processing + def: Automatic or manual procedures performed upon pre-processed NMR data sets that aim to summarise them or annotate them with speculative values. + frequency domain data processing + + + + + + + + + pre-FT data processing + def: The post acquisition process of producing or refining a spectrum from raw data. + defprov: Daniel Schober + time domain data processing + + + + + + + + + def: A data transformation that converts an NMR input data set into an output data set in a tracable and useful manner. + NMR data processing + + + + + + + + + tempdef: A non FT based method for converting from the time to the frequency domain. + non-fourier FID transformation + TODO:Exclusion guided definition. + + + + + + + + + https://github.com/nmrML/nmrML/issues/37 + tempdef: A data processing which alteres a data file for a specific purpose. + defprov: Daniel Schober + data encoding + + + + + + + + + tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. + defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf + synonym: GFT-projection + G matrix fourier transform projection + + + + + + + + + defneed + synonym: TPPI + time proportional phase incrementation + + + + + + + + + def: A method for quadrature detection. + synonym: S-TPPI + states-time proportional phase incrementation + + + + + + + + + defneed + Hadamard encoding + + + + + + + + + http://www.magnet.fsu.edu/library/publications/NHMFL_Publication-6859.pdf + defneed + Frydman encoding + + + + + + + + + defneed + echo anti-echo coherence selection + + + + + + + + + + def: An Instrument which is used to carry out a NMR analysis of some sample. + synonym: NMR instrument + NMR instrument + + + + + + + + + def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. + altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. + synonym: NMR instrument acquisition parameter set + NMR instrument acquisition parameter set + + + + + + + + + method + defneed + data transformation + altspcls: process ??? + + + + + + + + + Philippe Rocca Serra + http://pubs.acs.org/doi/pdf/10.1021/ac0519312 + +10.1021/ac0519312 + +Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets + +Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * +Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K. + http://stats.stackexchange.com/questions/35591/normalization-vs-scaling + normalisation + normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. +This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples. + + + + + + + + + tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. + defprov: Daniel Schober + pre-acquisition water suppression + + + + + + + + + A function applied to a FID to increase the signal-to-noise ratio or the resolution. + http://www.uwyo.edu/wheelernmr/nmr/window_functions.pdf + https://github.com/nmrML/nmrML/issues/39 + https://github.com/nmrML/nmrML/issues/67 + apodization function + window function for apodization + + + + + + + + + The exponential function used to multiply a FID by to produce a desitred amount of line broadening. + exponential apodization + Functional form: + em(x_i) = exp(-pi*i*lb) + Parameters: + * data Array of spectral data. + * lp Exponential line broadening. + * inv Set True for inverse apodization. + exponential multiplication window function + + + + + + + + + gaussian broadening + defneed + Gaussian window function + + + + + + + + + sine + sine bell window function + defneed + sine window function + + + + + + + + + QSINE + defneed + sine squared window + + + + + + + + + def: A method for eliminating or reducing the noise in a spectrum. + spectral denoising + + + + + + + + + def: A method of flattening the baseline of a spectrum. + baseline correction + + + + + + + + + A method of spectral projection. + spectral projection + + + + + + + + + defneed + maximum intensity projection + + + + + + + + + def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. + altdef: The adding of spectra together to produce a composite avergaed spectrum. + summation projection + + + + + + + + + def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. + altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width. + zero order phase correction + + + + + + + + + defneed + first order phase correction + + + + + + + + + defneed + symmetrisation + + + + + + + + + def: The nucleus of an element or isotope that is being studied during an NMR analysis. Common NMR requirements include direct 1D and 2D proton-only NMR, direct observation of 13C NMR with 1H decoupling, direct observation of other nuclei such as 19F, 31P, 29Si, 31P, 27Al, and 15N (with or without 1H decoupling), triple resonance NMR (especially inverse triple resonance such as 1H observe, 13C and 15N decouple), and inverse 2D and 3D experiments such as HMQC and HMBC. + acquisition nucleus + + + + + + + + + def: A feature of a peak that is measured to assess the quality of a data set. + quality check peak feature + + + + + + + + + def: The number of repeat scans performed and summed to create the data set for an NMR sample. + number of scans + + + + + + + + + def: The number of scans whose data is not summed to create the data set for an NMR sample, but that are carried out to establish the steady-state of relaxation for the nuclei. + number of steady state scans + + + + + + + + + def: A scheme for producing a numerical representation of the environment of an atom. + atom environment encoding + + + + + + + + + def: The delay between repeat scans to allow nuclei to relax back to their steady state. + relaxation delay + + + + + + + + + def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum). + x-axis unit + + + + + + + + + defneed + y-axis unit + + + + + + + + + def: The unit of measurement of the second dimension of a 2D NMR dataset. + additional axis unit + + + + + + + + + def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The initial time or frequency a FID or spectrum is recorded from. + x start value + + + + + + + + + tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + x end value + + + + + + + + + def: A parameter to a window function. + window function parameter + + + + + + + + + Philippe Rocca-Serra + http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin + defneed + line broadening + line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. +When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. +The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. +Line broadening may be caused by: +Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities. + + + + + + + + + Philippe Rocca-Serra + http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin + defneed + line sharpening + line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. +Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering. + + + + + + + + + defneed + parameter + + + + + + + + + def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. + synonym: NMR spectral projection parameter set + NMR spectral projection parameter set + + + + + + + + + def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. + synonym: NMR spectrum post-processing parameter set + NMR data post-processing parameter set + TODO: altsprcls: process, not clear wether set is plural (list) or process. + + + + + + + + + tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis + synonym: NMR quality check parameter set + NMR quality check parameter set + + + + + + + + + excitation sculpting + tempdef: A data processing technique used to suppress the water peak in a spectrum in order to get clearer results. + defprov: Daniel Schober + post-acquisition water suppression + + + + + + + + + def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. + synonym: HSVD + hankel singular value decomposition + + + + + + + + + defneed + convolution + + + + + + + + + defneed + polynomial fitting + + + + + + + + + def: A computational method that archieves water suppression via wavlet multi resolution analysis. + WaveWat + + + + + + + + + defneed + synonym: NMR data pre-processing parameter set + NMR data pre-processing parameter set + + + + + + + + + def: The process of ensuring the quality of the raw data that results from an NMR analysis. + synonym: NMR quality check + NMR quality check + + + + + + + + + def: A reference is a label which refers to data elsewhere, as opposed to containing the data itself. Accessing the value that a reference refers to is called dereferencing it. References are fundamental in constructing many data structures and in exchanging information between different parts of programs and databases. + reference + + + + + + + + + FID file reference + def: A reference to a file containing the raw FID. + synonym: FID file reference + FID file + + + + + + + + + def: A reference to a description of a pulse sequence in the literature. + pulse sequence literature reference + + + + + + + + + def: A reference to a file containing a specfication of the shape of an excitation pulse. + shaped pulse file + + + + + + + + + def: A reference to a file containing a specification of a pulse sequence. + pulse sequence file + + + + + + + + + def: A reference to a file of data pre-processing parameters produced by the machine. + processing parameter file + + + + + + + + + PRS: rename 'reference' to 'identifier' + def: A reference to information on the provenance of the NMR sample. + synonym: NMR sample reference + NMR sample identifier + + + + + + + + + def: A result of an NMR quality check. + synonym: NMR quality check result + NMR quality check descriptor + + + + + + + + + A sample that has been prepared for chemical analysis by NMR. + NMR sample + + + + + + + + + tempdef: A sample introduction parameter is a parameter that describes the particular method of introducing the sample under investigation into the NMR instrument. + sample introduction parameter + + + + + + + + + defneed + synonym: MAS rotor + magic angle spinning rotor + + + + + + + + + defneed + flow probe + + + + + + + + + + The sample-tube holds the NMR sample and sits in the NMR probe. It is usually a glass tube of 5-20mm diameter. + + http://en.wikipedia.org/wiki/NMR_tube + https://github.com/nmrML/nmrML/issues/54 + sample tube + sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID + NMR sample tube + + + + + + + + + def: A software artifact used during data pre-processing. + spectrum pre-processing software + + + + + + + + + def: A software artifact used during spectral post-processing. + spectrum post-processing software + + + + + + + + + defneed + peak picking + + + + + + + + + binning + def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. + altdef: A type of automated integration which occurs across pre-defined regions for a spectrum. + for bucket parameters see 'binned spectrum descriptor' + bucketing + + + + + + + + + presaturation of the solvent resonance + defneed + synonym: presaturation + presat pulse sequence + + + + + + + + + tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. + defprov: Daniel Schober + synonym: WET + water suppression enhanced through T1 effects + WET + + + + + + + + + NOESY presat + tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. + defprov: Daniel Schober + synonym: NOESY-presat + nuclear overhauser and exchange spectroscopy-presat + + + + + + + + + defneed + watergate + + + + + + + + + tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not "refocused" by the refocus gradient (therefore, is not selected). + defprov: Daniel Schober + coherence pathway rejection + + + + + + + + + defneed + flip-back watergate + + + + + + + + + tempdef: A jump and return pulse sequence method is a water suppression method that uses a defined pulse sequence to make fast exchanging protons visible. + jump and return pulse sequence + + + + + + + + + tempdef: A jump and return 1-1 pulse sequence method is a jump and return method that uses one 90 degree pulse and one 90 degree return puls to make fast exchanging protons visible, first described by Plateau,P. and Gueron,M. (1982) J. Am. Chem. Soc., 104, 7310–7311. Compared to the 1-3-3-1 method it has a lower receiver gain and the dispersive tail of water interferes with the signals of interest. + jump and return 1-1 + + + + + + + + + tempdef:A jump and return 1-3-3-1 pulse sequence method is a jump and return method that uses a 1-3-3-1 pulse sequence to make fast exchanging protons visible. Compared to the 1-1 method it has better water suppression (higher receiver gain) capabilities, but with offset-dependent phase distortion (unsuitable for 2D). + jump and return 1-3-3-1 + + + + + + + + + defneed + synonym: 1D spectrum + 1D spectrum + + + + + + + + + defneed + synonym: 2D spectrum + 2D spectrum + + + + + + + + + defneed + synonym: 1D NMR acquisition parameter set + 1D NMR acquisition parameter set + + + + + + + + + defneed + synonym: 2D NMR acquisition parameter set + 2D NMR acquisition parameter set + + + + + + + + + tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. + defprov: Daniel Schober + synonym: 1D CPMG + carr purcell meiboom gill pulse sequence + CPMG + + + + + + + + + TCOSY pulse sequence + tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. + defprov: Daniel Schober + synonym:2D TOCSY pulse sequence + total correlation spectroscopy pulse sequence + + + + + + + + + def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). + synonym: 1D + 1D pulse sequence + + + + + + + + + tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. + defprov: Daniel Schober + synonym: 2D J-resolved + J-resolved pulse sequence + + + + + + + + + defneed + synonym: 2D hadamard TOCSY + hadamard total correlation spectroscopy pulse sequence + + + + + + + + + defneed + synonym: 1D diffusion edited + diffusion edited pulse sequence + + + + + + + + + + def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. + altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss. + NMR magnet + + + + + + + + + + + + + + + defneed + Bruker NMR magnet + + + + + + + + + defneed + UltraShield + + + + + + + + + Ultrastabilized + + + + + + + + + US 2 + ??? How to model "hoch 2"? + + + + + + + + + UltraShield Plus + + + + + + + + + + def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: + Significant S/N gains (with moderately salty samples also) + Short pulse widths + Short ring down times + Linear behavior in power response + Gradient capability + CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher + All high resolution probes have a lock circuit + All high resolution probes have Z-gradient + defprov: Bruker website + Bruker CryoProbe + + + + + + + + + def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. + defprov: Bruker website + altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. + synonyms: High resolution MAS, hr-MAS + high resolution magic angle spin probe + + + + + + + + + def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. + defprov: Bruker website + synonym: solid MAS probe + solid magic angle spinning probe + + + + + + + + + def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: + up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) + excellent solvent suppression properties + virtually no salt effect + discrete samples in tubes that can be sealed and stored + automation accessory for sample preparation and handling available + defprov: Bruker website + 1mm MicroProbe + + + + + + + + + def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. + defprov: Bruker website + synonym: flow HR-probe + flow high resolution probe + + + + + + + + + defneed + NMR instrument parameter set + + + + + + + + + defneed + AVANCE II spectrometer + TODO: May need no definition + + + + + + + + + + + + + + + defneed + Bruker NMR instrument + https://www.bruker.com/de/products/mr/nmr.html + + + + + + + + + For metabolism studies, and analysis of complex mixtures. + Metabolic Profiler instrument + + + + + + + + + NMR Instruments using hyphenated analytical techniques combining mass spectrometry and chromatograph. + Hyphenated NMR instrument + + + + + + + + + Capillary LC-NMR + + + + + + + + + def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. + defprov: Bruker website + NMR Case + + + + + + + + + + defneed + NMR tube washing system + + + + + + + + + + + + + + + def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. + defprov: Bruker website + Bruker AutoClean + + + + + + + + + def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. + defprov: Bruker website + synonym: Bruker Efficient Sample Transfer NMR + Bruker BEST NMR + + + + + + + + + def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. + The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back + defprov: website + SampleRail + + + + + + + + + def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. + The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. + defprov: Bruker website + SampleJet + + + + + + + + + + + + + + + defneed + Bruker autosampler + + + + + + + + + def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. + defprov: Bruker website + B-ACS + + + + + + + + + + + + + + + def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. + The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. + defprov: Bruker website + synonym: Bruker Multiple Adjustable Tube Clamp Holder + Bruker MATCH + + + + + + + + + + def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample. + NMR sample holder + + + + + + + + + defneed + NMR software + + + + + + + + + defneed + Bruker NMR software + TODO: May need no definition. + + + + + + + + + Bruker TopSpin software + + + + + + + + + SampleTrack software + + + + + + + + + Paravision software + + + + + + + + + AURELIA software + + + + + + + + + AUREMOL software + + + + + + + + + AMIX VIEWER & AMIX-TOOLS + + + + + + + + + def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. + defprov: Bruker website + synonym: HR Probe + high resolution probe + + + + + + + + + def: The ATM option for AVANCE spectrometers is available for: + Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. + defprov: Bruker website + synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM + high resolution probe with ATM + + + + + + + + + defneed + micro imaging probe + + + + + + + + + + + + + + + JEOL NMR instrument + + + + + + + + + JNM-ECX Series FT NMR instrument + The JNM-ECX series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials. + + + + + + + + + JNM-ECA Series FT NMR instrument + The JNM-ECA series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials. + + + + + + + + + JEOL NMR software + + + + + + + + + Delta NMR software + + + + + + + + + + + + + + + https://www.bruker.com/products/mr/nmr/probes/probes.html + Bruker NMR probe + + + + + + + + + + + + + + + defneed + JEOL NMR probe + + + + + + + + + CapNMR probe + + + + + + + + + + + + + + + Varian NMR instrument + + + + + + + + + Varian MERCURY + + + + + + + + + Varian INOVA + + + + + + + + + Varian UNITY + + + + + + + + + Varian VXR + + + + + + + + + Varian GEMINI + + + + + + + + + AMX instrument + + + + + + + + + AC instrument + + + + + + + + + liquid NMR probe + + + + + + + + + defneed + solid NMR probe + + + + + + + + + defneed + NMR imaging probe + + + + + + + + + + + + + + + tecmag console + + + + + + + + + def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network + defprov: tecmag website + DISCOVERY console + + + + + + + + + def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. + defprov: website + tecmag EAGLE probe + + + + + + + + + defneed + APOLLO console + + + + + + + + + + + + + + + tecmag NMR instrument + + + + + + + + + CAT + + + + + + + + + defneed + magnetic field strength + + + + + + + + + defneed + vendor + TODO: Belongs in Ref Ontol. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A manufacturer that produces NMR instruments and/or their parts + + NMR device manufacturer + + + + + + + + + def: In some cases, it is necessary or advisable to control the temperature of the sample at some value other than ambient. The sample may be only slightly solubility at room temperatures, or it may be desirable to control some aspect of the dynamics of the system. In such cases, a default temperature, or some means of selecting this parameter, can be built into the experiment. + sample temperature information + + + + + + + + + data file + file + Any data file as generated by some acquisition computer or console. + This is a class annotation exemplifying skos usage. We assume the rdfs:label to capture the skos:preferedLabel. + an FID raw data file + In the NMR case a file generated by an NMR acquisition computer, console or NMR processing software. + + + + + + + + + LC NMR + liquid chromatography NMR instrument + + + + + + + + + Includes the connection to a high-resolution TOF-LC-MS system. + LC MS NMR instrument + + + + + + + + + SPE NMR + A Solid Phase Extraction (SPE) system provides an interface between liquid chromatography (LC) and NMR. For the process of LC-SPE™ NMR a chromatographic separation is done and the peaks of interest are trapped on an individual SPE cartridge after the column. The peak selection is done either by UV detection or by evaluation of the on-line registered MS or MSn spectra. + solid phase extraction NMR instrument + + + + + + + + + Capillary LC-NMR is a hyphenated technique coupling capillary liquid chromatography and NMR, which increases sensitivity dramatically through the use of miniaturization of the chromatographic techniques and NMR detection volume. + Capillary LC-NMR instrument + + + + + + + + + direct detection probe + + + + + + + + + indirect detection probe + + + + + + + + + Continuous wave NMR spectrometers are similar in principle to optical spectrometers. The sample is held in a strong magnetic field, and the frequency of the source is slowly scanned (in some instruments, the source frequency is held constant, and the field is scanned). + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm + continuous wave NMR instrument + + + + + + + + + In FT-NMR, all frequencies in a spectrum are irradiated simultaneously with a radio frequency pulse. Following the pulse, the nuclei return to thermal equilibrium. A time domain emission signal is recorded by the instrument as the nuclei relax. A frequency domain spectrum is obtained by Fourier transformation. + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm + fourier transformation NMR instrument + + + + + + + + + NMR software data format + + + + + + + + + ChemMagnetics format + + + + + + + + + GE Omega format + + + + + + + + + JEOL Lambda format + + + + + + + + + JEOL Alpha format + + + + + + + + + Jeol Delta format + + + + + + + + + JEOL generic format + + + + + + + + + JEOL AL95 format + + + + + + + + + JEOL EX format + + + + + + + + + TecMag format + + + + + + + + + Varian VNMR format + + + + + + + + + Galactic format + + + + + + + + + Felix format + + + + + + + + + JCAMP DX format + + + + + + + + + Lybrics format + + + + + + + + + Nuts format + + + + + + + + + MACNMR format + + + + + + + + + Nicolet GE/QE-300 format + + + + + + + + + m + J-coupler + multiplet feature + + + + + + + + + Net CDF format + + + + + + + + + Bruker DISNMR format + + + + + + + + + Bruker UXNMR/XWIN-NMR format + + + + + + + + + Bruker WIN NMR format + + + + + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + + + + + + + + + entity + Entity + Julius Caesar + Verdi’s Requiem + the Second World War + your body mass index + BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 + Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf + An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) + + entity + + + + + Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf + + per discussion with Barry Smith + + + + + + An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) + + + + + + + + + + + + + + + + + continuant + Continuant + BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 + Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants + A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) + if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) + if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) + if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) + (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] + (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] + (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] + (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] + + continuant + + + + + Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants + + + + + + A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) + + + + + + if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) + + + + + + if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) + + + + + + if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) + + + + + + (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] + + + + + + (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] + + + + + + (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] + + + + + + (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] + + + + + + + + + + + + + + + + occurrent + Occurrent + BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region + BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. + Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. + Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. + An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) + Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) + b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) + (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] + (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] + + occurrent + + + + + Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. + + per discussion with Barry Smith + + + + + Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. + + + + + + An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) + + + + + + Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) + + + + + + b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) + + + + + + (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] + + + + + + (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] + + + + + + + + + + + + ic + IndependentContinuant + a chair + a heart + a leg + a molecule + a spatial region + an atom + an orchestra. + an organism + the bottom right portion of a human torso + the interior of your mouth + b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) + For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) + For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) + (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] + (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] + (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] + + independent continuant + + + + + b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) + + + + + + For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) + + + + + + For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) + + + + + + (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] + + + + + + (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] + + + + + + (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] + + + + + + + + + + + + s-region + SpatialRegion + BFO 2 Reference: Spatial regions do not participate in processes. + Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. + A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) + All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) + (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] + (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] + + spatial region + + + + + Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. + + per discussion with Barry Smith + + + + + A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) + + + + + + All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) + + + + + + (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] + + + + + + (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] + + + + + + + + + + + + + t-region + TemporalRegion + Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional + A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) + All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) + Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) + (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] + (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] + (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] + + temporal region + + + + + Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional + + per discussion with Barry Smith + + + + + A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) + + + + + + All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) + + + + + + Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) + + + + + + (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] + + + + + + (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] + + + + + + (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] + + + + + + + + + + + 2d-s-region + TwoDimensionalSpatialRegion + an infinitely thin plane in space. + the surface of a sphere-shaped part of space + A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) + (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] + + two-dimensional spatial region + + + + + A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) + + + + + + (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] + + + + + + + + + + st-region + SpatiotemporalRegion + the spatiotemporal region occupied by a human life + the spatiotemporal region occupied by a process of cellular meiosis. + the spatiotemporal region occupied by the development of a cancer tumor + A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) + All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) + Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) + Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) + Every spatiotemporal region occupies_spatiotemporal_region itself. + Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) + (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] + (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] + (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] + (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] + (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] + + spatiotemporal region + + + + + A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) + + + + + + All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) + + + + + + Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) + + + + + + Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) + + + + + + Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) + + + + + + (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] + + + + + + (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] + + + + + + (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] + + + + + + (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] + + + + + + (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] + + + + + + + + + + process + Process + a process of cell-division, \ a beating of the heart + a process of meiosis + a process of sleeping + the course of a disease + the flight of a bird + the life of an organism + your process of aging. + p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) + BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) + (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] + + process + + + + + p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) + + + + + + (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] + + + + + + + + + + + disposition + Disposition + an atom of element X has the disposition to decay to an atom of element Y + certain people have a predisposition to colon cancer + children are innately disposed to categorize objects in certain ways. + the cell wall is disposed to filter chemicals in endocytosis and exocytosis + BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. + b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) + If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) + (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] + (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] + + disposition + + + + + b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) + + + + + + If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) + + + + + + (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] + + + + + + (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] + + + + + + + + + + + realizable + RealizableEntity + the disposition of this piece of metal to conduct electricity. + the disposition of your blood to coagulate + the function of your reproductive organs + the role of being a doctor + the role of this boundary to delineate where Utah and Colorado meet + To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) + All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) + (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] + (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] + + realizable entity + + + + + To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) + + + + + + All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) + + + + + + (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] + + + + + + (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] + + + + + + + + + + + 0d-s-region + ZeroDimensionalSpatialRegion + A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) + (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] + + zero-dimensional spatial region + + + + + A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) + + + + + + (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] + + + + + + + + + + quality + Quality + the ambient temperature of this portion of air + the color of a tomato + the length of the circumference of your waist + the mass of this piece of gold. + the shape of your nose + the shape of your nostril + a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) + If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) + (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] + (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] + + quality + + + + + a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) + + + + + + If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) + + + + + + (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] + + + + + + (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] + + + + + + + + + + + sdc + SpecificallyDependentContinuant + Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key + of one-sided specifically dependent continuants: the mass of this tomato + of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. + the disposition of this fish to decay + the function of this heart: to pump blood + the mutual dependence of proton donors and acceptors in chemical reactions [79 + the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction + the pink color of a medium rare piece of grilled filet mignon at its center + the role of being a doctor + the shape of this hole. + the smell of this portion of mozzarella + b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) + Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. + (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] + + specifically dependent continuant + + + + + b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) + + + + + + Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. + + per discussion with Barry Smith + + + + + (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] + + + + + + + + + + role + Role + John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. + the priest role + the role of a boundary to demarcate two neighboring administrative territories + the role of a building in serving as a military target + the role of a stone in marking a property boundary + the role of subject in a clinical trial + the student role + BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. + b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) + (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] + + role + + + + + b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) + + + + + + (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] + + + + + + + + + + fiat-object-part + FiatObjectPart + or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 + the FMA:regional parts of an intact human body. + the Western hemisphere of the Earth + the division of the brain into regions + the division of the planet into hemispheres + the dorsal and ventral surfaces of the body + the upper and lower lobes of the left lung + BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions + b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) + (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] + + fiat object part + + + + + b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) + + + + + + (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] + + + + + + + + + + + 1d-s-region + OneDimensionalSpatialRegion + an edge of a cube-shaped portion of space. + A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) + (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] + + one-dimensional spatial region + + + + + A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) + + + + + + (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] + + + + + + + + + + object-aggregate + ObjectAggregate + a collection of cells in a blood biobank. + a swarm of bees is an aggregate of members who are linked together through natural bonds + a symphony orchestra + an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) + defined by fiat: the aggregate of members of an organization + defined through physical attachment: the aggregate of atoms in a lump of granite + defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container + defined via attributive delimitations such as: the patients in this hospital + the aggregate of bearings in a constant velocity axle joint + the aggregate of blood cells in your body + the nitrogen atoms in the atmosphere + the restaurants in Palo Alto + your collection of Meissen ceramic plates. + An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects + BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). + ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. + b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) + (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] + + object aggregate + + + + + An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects + + + + + + An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects + + + + + + ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. + + + + + + b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) + + + + + + (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] + + + + + + + + + + 3d-s-region + ThreeDimensionalSpatialRegion + a cube-shaped region of space + a sphere-shaped region of space, + A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) + (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] + + three-dimensional spatial region + + + + + A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) + + + + + + (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] + + + + + + + + + + site + Site + Manhattan Canyon) + a hole in the interior of a portion of cheese + a rabbit hole + an air traffic control region defined in the airspace above an airport + the Grand Canyon + the Piazza San Marco + the cockpit of an aircraft + the hold of a ship + the interior of a kangaroo pouch + the interior of the trunk of your car + the interior of your bedroom + the interior of your office + the interior of your refrigerator + the lumen of your gut + your left nostril (a fiat part – the opening – of your left nasal cavity) + b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) + (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] + + site + + + + + b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) + + + + + + (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] + + + + + + + + + + object + Object + atom + cell + cells and organisms + engineered artifacts + grain of sand + molecule + organelle + organism + planet + solid portions of matter + star + BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. + BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). + BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 + BFO 2 Reference: an object is a maximal causally unified material entity + BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 + b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) + + object + + + + + b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) + + + + + + + + + + gdc + GenericallyDependentContinuant + The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. + the pdf file on your laptop, the pdf file that is a copy thereof on my laptop + the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. + b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) + (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] + + generically dependent continuant + + + + + b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) + + + + + + (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] + + + + + + + + + + function + Function + the function of a hammer to drive in nails + the function of a heart pacemaker to regulate the beating of a heart through electricity + the function of amylase in saliva to break down starch into sugar + BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. + A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) + (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] + + function + + + + + A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) + + + + + + (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] + + + + + + + + + + p-boundary + ProcessBoundary + the boundary between the 2nd and 3rd year of your life. + p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) + Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) + (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] + (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] + + process boundary + + + + + p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) + + + + + + Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) + + + + + + (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] + + + + + + (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] + + + + + + + + + + + 1d-t-region + OneDimensionalTemporalRegion + the temporal region during which a process occurs. + BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). + A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) + (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] + + one-dimensional temporal region + + + + + A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) + + + + + + (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] + + + + + + + + + + + material + MaterialEntity + a flame + a forest fire + a human being + a hurricane + a photon + a puff of smoke + a sea wave + a tornado + an aggregate of human beings. + an energy wave + an epidemic + the undetached arm of a human being + BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 + BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. + BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. + A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) + Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) + every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) + (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] + + material entity + + + + + A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) + + + + + + Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) + + + + + + every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) + + + + + + (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] + + + + + + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] + + + + + + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] + + + + + + + + + + cf-boundary + ContinuantFiatBoundary + b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) + BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions. + BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29 + Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. + Every continuant fiat boundary is located at some spatial region at every time at which it exists + (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] + + continuant fiat boundary + + + + + b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) + + + + + + Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. + + + + + + (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] + + + + + + + + + + immaterial + ImmaterialEntity + BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 + + immaterial entity + + + + + + + + + + + 1d-cf-boundary + OneDimensionalContinuantFiatBoundary + The Equator + all geopolitical boundaries + all lines of latitude and longitude + the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin. + the median sulcus of your tongue + a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) + (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] + + one-dimensional continuant fiat boundary + + + + + a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) + + + + + + (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] + + + + + + + + + + + process-profile + ProcessProfile + On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels + One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance. + The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on. + b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) + b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) + (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] + (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] + + process profile + + + + + b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) + + + + + + b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) + + + + + + (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] + + + + + + (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] + + + + + + + + + + r-quality + RelationalQuality + John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. + a marriage bond, an instance of requited love, an obligation between one person and another. + b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) + (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] + + relational quality + + + + + b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) + + + + + + (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] + + + + + + + + + + 2d-cf-boundary + TwoDimensionalContinuantFiatBoundary + a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) + (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] + + two-dimensional continuant fiat boundary + + + + + a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) + + + + + + (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] + + + + + + + + + + 0d-cf-boundary + ZeroDimensionalContinuantFiatBoundary + the geographic North Pole + the point of origin of some spatial coordinate system. + the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet + zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. + a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) + (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] + + zero-dimensional continuant fiat boundary + + + + + zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. + + requested by Melanie Courtot + + + + + + a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) + + + + + + (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] + + + + + + + + + + 0d-t-region + ZeroDimensionalTemporalRegion + a temporal region that is occupied by a process boundary + right now + the moment at which a child is born + the moment at which a finger is detached in an industrial accident + the moment of death. + temporal instant. + A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) + (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] + + zero-dimensional temporal region + + + + + A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) + + + + + + (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] + + + + + + + + + + history + History + A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) + + history + + + + + A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) + + + + + + + + + + Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s). + chebi_ontology + isotopically modified compounds + CHEBI:139358 + + isotopically modified compound + + + + + isotopically modified compounds + ChEBI + + + + + + + + + + A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy. + 0 + CD4O + InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D + OKKJLVBELUTLKV-MZCSYVLQSA-N + 36.066 + 36.05132 + [2H]OC([2H])([2H])[2H] + CAS:811-98-3 + PMID:19680377 + PMID:22819978 + PMID:28219117 + PMID:31837670 + Reaxys:1733278 + Wikipedia:Deuterated_methanol + ((2)H3)methan((2)H)ol + chebi_ontology + ((2)H4)methanol + CD3OD + methan-d3-ol-d + methyl alcohol-d4 + methyl-d3 alcohol d + tetradeuteromethanol + trideuterio deuteriooxy methane + CHEBI:156265 + + methanol-d4 + + + + + + true + + + + + CAS:811-98-3 + ChemIDplus + + + + + CAS:811-98-3 + NIST Chemistry WebBook + + + + + PMID:19680377 + Europe PMC + + + + + PMID:22819978 + Europe PMC + + + + + PMID:28219117 + Europe PMC + + + + + PMID:31837670 + Europe PMC + + + + + Reaxys:1733278 + Reaxys + + + + + ((2)H3)methan((2)H)ol + IUPAC + + + + + + ((2)H4)methanol + ChemIDplus + + + + + CD3OD + ChEBI + + + + + methan-d3-ol-d + ChemIDplus + + + + + methyl alcohol-d4 + ChEBI + + + + + methyl-d3 alcohol d + ChEBI + + + + + tetradeuteromethanol + NIST_Chemistry_WebBook + + + + + trideuterio deuteriooxy methane + ChEBI + + + + + + + + + + + + An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. + 0 + H3N + InChI=1S/H3N/h1H3 + QGZKDVFQNNGYKY-UHFFFAOYSA-N + 17.03056 + 17.02655 + [H]N([H])[H] + CHEBI:13405 + CHEBI:13406 + CHEBI:13407 + CHEBI:13771 + CHEBI:22533 + CHEBI:44269 + CHEBI:44284 + CHEBI:44404 + CHEBI:7434 + CAS:7664-41-7 + Drug_Central:4625 + Gmelin:79 + HMDB:HMDB0000051 + KEGG:C00014 + KEGG:D02916 + KNApSAcK:C00007267 + MetaCyc:AMMONIA + MolBase:930 + PDBeChem:NH3 + PMID:110589 + PMID:11139349 + PMID:11540049 + PMID:11746427 + PMID:11783653 + PMID:13753780 + PMID:14663195 + PMID:15092448 + PMID:15094021 + PMID:15554424 + PMID:15969015 + PMID:16008360 + PMID:16050680 + PMID:16348008 + PMID:16349403 + PMID:16614889 + PMID:16664306 + PMID:16842901 + PMID:17025297 + PMID:17439666 + PMID:17569513 + PMID:17737668 + PMID:18670398 + PMID:22002069 + PMID:22081570 + PMID:22088435 + PMID:22100291 + PMID:22130175 + PMID:22150211 + PMID:22240068 + PMID:22290316 + PMID:22342082 + PMID:22385337 + PMID:22443779 + PMID:22560242 + Reaxys:3587154 + Wikipedia:Ammonia + AMMONIA + Ammonia + ammonia + azane + chebi_ontology + Ammoniak + NH3 + R-717 + [NH3] + ammoniac + amoniaco + spirit of hartshorn + CHEBI:16134 + + ammonia + + + + + CAS:7664-41-7 + ChemIDplus + + + + + CAS:7664-41-7 + KEGG COMPOUND + + + + + CAS:7664-41-7 + NIST Chemistry WebBook + + + + + Drug_Central:4625 + DrugCentral + + + + + Gmelin:79 + Gmelin + + + + + PMID:110589 + Europe PMC + + + + + PMID:11139349 + Europe PMC + + + + + PMID:11540049 + Europe PMC + + + + + PMID:11746427 + Europe PMC + + + + + PMID:11783653 + Europe PMC + + + + + PMID:13753780 + Europe PMC + + + + + PMID:14663195 + Europe PMC + + + + + PMID:15092448 + Europe PMC + + + + + PMID:15094021 + Europe PMC + + + + + PMID:15554424 + Europe PMC + + + + + PMID:15969015 + Europe PMC + + + + + PMID:16008360 + Europe PMC + + + + + PMID:16050680 + Europe PMC + + + + + PMID:16348008 + Europe PMC + + + + + PMID:16349403 + Europe PMC + + + + + PMID:16614889 + Europe PMC + + + + + PMID:16664306 + Europe PMC + + + + + PMID:16842901 + Europe PMC + + + + + PMID:17025297 + Europe PMC + + + + + PMID:17439666 + Europe PMC + + + + + PMID:17569513 + Europe PMC + + + + + PMID:17737668 + Europe PMC + + + + + PMID:18670398 + Europe PMC + + + + + PMID:22002069 + Europe PMC + + + + + PMID:22081570 + Europe PMC + + + + + PMID:22088435 + Europe PMC + + + + + PMID:22100291 + Europe PMC + + + + + PMID:22130175 + Europe PMC + + + + + PMID:22150211 + Europe PMC + + + + + PMID:22240068 + Europe PMC + + + + + PMID:22290316 + Europe PMC + + + + + PMID:22342082 + Europe PMC + + + + + PMID:22385337 + Europe PMC + + + + + PMID:22443779 + Europe PMC + + + + + PMID:22560242 + Europe PMC + + + + + Reaxys:3587154 + Reaxys + + + + + AMMONIA + PDBeChem + + + + + Ammonia + KEGG_COMPOUND + + + + + ammonia + IUPAC + + + + + + azane + IUPAC + + + + + + Ammoniak + ChemIDplus + + + + + NH3 + IUPAC + + + + + NH3 + KEGG_COMPOUND + + + + + R-717 + ChEBI + + + + + [NH3] + MolBase + + + + + ammoniac + ChEBI + + + + + amoniaco + ChEBI + + + + + spirit of hartshorn + ChemIDplus + + + + + + + + + + + An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines. + 0 + C5H5N + InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H + JUJWROOIHBZHMG-UHFFFAOYSA-N + 79.09990 + 79.04220 + c1ccncc1 + CHEBI:14974 + CHEBI:26415 + CHEBI:8662 + CAS:110-86-1 + Gmelin:1996 + HMDB:HMDB0000926 + KEGG:C00747 + PDBeChem:0PY + PMID:24364496 + PMID:24425539 + PMID:8070089 + Reaxys:103233 + Wikipedia:Pyridine + Pyridine + pyridine + chebi_ontology + Azabenzene + py + CHEBI:16227 + + pyridine + + + + + CAS:110-86-1 + ChemIDplus + + + + + CAS:110-86-1 + KEGG COMPOUND + + + + + CAS:110-86-1 + NIST Chemistry WebBook + + + + + Gmelin:1996 + Gmelin + + + + + PMID:24364496 + Europe PMC + + + + + PMID:24425539 + Europe PMC + + + + + PMID:8070089 + Europe PMC + + + + + Reaxys:103233 + Reaxys + + + + + Pyridine + KEGG_COMPOUND + + + + + pyridine + IUPAC + + + + + + pyridine + UniProt + + + + + Azabenzene + KEGG_COMPOUND + + + + + py + IUPAC + + + + + + + + + A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance. + 0 + [43Ca] + InChI=1S/Ca/i1+3 + OYPRJOBELJOOCE-AKLPVKDBSA-N + 42.959 + 42.95877 + [43Ca] + CAS:14333-06-3 + PMID:11859764 + PMID:19117733 + PMID:20463996 + PMID:20574585 + PMID:23163540 + PMID:23398971 + PMID:24874995 + PMID:25306191 + PMID:29770988 + PMID:6548252 + ((43)Ca)calcium + chebi_ontology + (43)20Ca + (43)Ca + (43)calcium + Ca-43 + calcium, isotope of mass 43 + calcium-43 + calcium-43 isotope + CHEBI:176566 + + calcium-43 atom + + + + + CAS:14333-06-3 + ChemIDplus + + + + + PMID:11859764 + Europe PMC + + + + + PMID:19117733 + Europe PMC + + + + + PMID:20463996 + Europe PMC + + + + + PMID:20574585 + Europe PMC + + + + + PMID:23163540 + Europe PMC + + + + + PMID:23398971 + Europe PMC + + + + + PMID:24874995 + Europe PMC + + + + + PMID:25306191 + Europe PMC + + + + + PMID:29770988 + Europe PMC + + + + + PMID:6548252 + Europe PMC + + + + + ((43)Ca)calcium + IUPAC + + + + + + (43)20Ca + ChEBI + + + + + (43)Ca + ChemIDplus + + + + + (43)calcium + ChEBI + + + + + Ca-43 + ChEBI + + + + + calcium, isotope of mass 43 + ChemIDplus + + + + + calcium-43 + ChemIDplus + + + + + calcium-43 isotope + ChEBI + + + + + + + + + A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2. + 0 + [85Rb] + InChI=1S/Rb/i1+0 + IGLNJRXAVVLDKE-IGMARMGPSA-N + 84.912 + 84.91179 + [85Rb] + CAS:13982-12-2 + PMID:18026483 + PMID:18033464 + PMID:18291893 + PMID:18382518 + PMID:19855587 + PMID:25087142 + PMID:32909800 + PMID:33709729 + PMID:34170158 + ((85)Rb)rubidium + chebi_ontology + (85)37Rb + (85)Rb + Rb-85 + rubidium, isotope of mass 85 + rubidium-85 + CHEBI:176572 + + rubidium-85 atom + + + + + CAS:13982-12-2 + ChemIDplus + + + + + PMID:18026483 + Europe PMC + + + + + PMID:18033464 + Europe PMC + + + + + PMID:18291893 + Europe PMC + + + + + PMID:18382518 + Europe PMC + + + + + PMID:19855587 + Europe PMC + + + + + PMID:25087142 + SUBMITTER + + + + + PMID:32909800 + Europe PMC + + + + + PMID:33709729 + Europe PMC + + + + + PMID:34170158 + Europe PMC + + + + + ((85)Rb)rubidium + IUPAC + + + + + + (85)37Rb + ChEBI + + + + + (85)Rb + ChemIDplus + + + + + Rb-85 + ChEBI + + + + + rubidium, isotope of mass 85 + ChemIDplus + + + + + rubidium-85 + ChemIDplus + + + + + + + + + A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2. + 0 + [59Co] + InChI=1S/Co/i1+0 + GUTLYIVDDKVIGB-IGMARMGPSA-N + 58.933 + 58.93319 + [59Co] + PMID:10617436 + PMID:10940985 + PMID:11421673 + PMID:11528329 + PMID:12943912 + PMID:19150229 + PMID:19421527 + PMID:25069794 + PMID:25169133 + PMID:26066447 + PMID:26641288 + PMID:27355901 + PMID:30137661 + PMID:31367328 + PMID:32478347 + ((59)Co)cobalt + chebi_ontology + (59)27Co + (59)Co + Co-59 + cobalt, isotope of mass 59 + cobalt-(59)Co + cobalt-59 + CHEBI:176578 + + cobalt-59 atom + + + + + PMID:10617436 + Europe PMC + + + + + PMID:10940985 + Europe PMC + + + + + PMID:11421673 + Europe PMC + + + + + PMID:11528329 + SUBMITTER + + + + + PMID:12943912 + Europe PMC + + + + + PMID:19150229 + Europe PMC + + + + + PMID:19421527 + Europe PMC + + + + + PMID:25069794 + Europe PMC + + + + + PMID:25169133 + Europe PMC + + + + + PMID:26066447 + Europe PMC + + + + + PMID:26641288 + Europe PMC + + + + + PMID:27355901 + Europe PMC + + + + + PMID:30137661 + Europe PMC + + + + + PMID:31367328 + Europe PMC + + + + + PMID:32478347 + Europe PMC + + + + + ((59)Co)cobalt + IUPAC + + + + + + (59)27Co + ChEBI + + + + + (59)Co + ChEBI + + + + + Co-59 + ChEBI + + + + + cobalt, isotope of mass 59 + ChEBI + + + + + cobalt-(59)Co + ChEBI + + + + + cobalt-59 + ChEBI + + + + + + + + + A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2. + 0 + [55Mn] + InChI=1S/Mn/i1+0 + PWHULOQIROXLJO-IGMARMGPSA-N + 54.938 + 54.93804 + [55Mn] + PMID:20645339 + PMID:21058720 + PMID:21341708 + PMID:24993844 + PMID:25179135 + PMID:25891681 + ((55)Mn)manganese + chebi_ontology + (55)25Mn + (55)Mn + Mn-55 + manganese, isotope of mass 55 + manganese-55 + CHEBI:176583 + + manganese-55 atom + + + + + PMID:20645339 + Europe PMC + + + + + PMID:21058720 + Europe PMC + + + + + PMID:21341708 + Europe PMC + + + + + PMID:24993844 + Europe PMC + + + + + PMID:25179135 + Europe PMC + + + + + PMID:25891681 + Europe PMC + + + + + ((55)Mn)manganese + IUPAC + + + + + + (55)25Mn + ChEBI + + + + + (55)Mn + ChEBI + + + + + Mn-55 + ChEBI + + + + + manganese, isotope of mass 55 + ChEBI + + + + + manganese-55 + ChEBI + + + + + + + + + A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2. + 0 + [75As] + InChI=1S/As/i1+0 + RQNWIZPPADIBDY-IGMARMGPSA-N + 74.922 + 74.92159 + [75As] + ((75)As)arsenic + chebi_ontology + (75)33As + (75)As + As-75 + arsenic, isotope of mass 75 + arsenic-75 + CHEBI:176584 + + arsenic-75 atom + + + + + ((75)As)arsenic + IUPAC + + + + + + (75)33As + ChEBI + + + + + (75)As + ChEBI + + + + + As-75 + ChEBI + + + + + arsenic, isotope of mass 75 + ChEBI + + + + + arsenic-75 + ChEBI + + + + + + + + + + A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. + 0 + C18H15P + InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H + RIOQSEWOXXDEQQ-UHFFFAOYSA-N + 262.292 + 262.09114 + C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 + CAS:603-35-0 + Chemspider:11283 + HMDB:HMDB0259265 + PMCID:PMC8513919 + PMID:2531144 + PMID:31948233 + PMID:32124602 + PMID:32259335 + PMID:34260204 + PMID:34338057 + Reaxys:610776 + Wikipedia:Triphenylphosphine + triphenylphosphane + chebi_ontology + PP 360 + PPh3 + Ph3P + TPP + Triphenylphosphan + Triphenylphosphin + phosphorus triphenyl + triphenyl phosphine + triphenylphosphide + triphenylphosphorus + CHEBI:183318 + + triphenylphosphine + + + + + CAS:603-35-0 + ChemIDplus + + + + + CAS:603-35-0 + NIST Chemistry WebBook + + + + + PMCID:PMC8513919 + Europe PMC + + + + + PMID:2531144 + Europe PMC + + + + + PMID:31948233 + Europe PMC + + + + + PMID:32124602 + Europe PMC + + + + + PMID:32259335 + Europe PMC + + + + + PMID:34260204 + Europe PMC + + + + + PMID:34338057 + Europe PMC + + + + + Reaxys:610776 + Reaxys + + + + + triphenylphosphane + IUPAC + + + + + + PP 360 + ChemIDplus + + + + + PPh3 + ChEBI + + + + + Ph3P + ChEBI + + + + + TPP + ChEBI + + + + + Triphenylphosphan + SUBMITTER + + + + + Triphenylphosphin + SUBMITTER + + + + + phosphorus triphenyl + NIST_Chemistry_WebBook + + + + + triphenyl phosphine + ChemIDplus + + + + + triphenylphosphide + ChemIDplus + + + + + triphenylphosphorus + ChemIDplus + + + + + + + + + + 0 + C2D3N + InChI=1S/C2H3N/c1-2-3/h1H3/i1D3 + WEVYAHXRMPXWCK-FIBGUPNXSA-N + 44.071 + 44.04538 + N#CC([H])([H])[H] + CAS:2206-26-0 + 2,2,2-trideuterioacetonitrile + chebi_ontology + Acetonitril-d3 + CD3CN + methyl-d3 cyanide + CHEBI:193038 + + acetonitrile-d3 + + + + + + true + + + + + CAS:2206-26-0 + SUBMITTER + + + + + 2,2,2-trideuterioacetonitrile + SUBMITTER + + + + + + Acetonitril-d3 + SUBMITTER + + + + + CD3CN + SUBMITTER + + + + + methyl-d3 cyanide + SUBMITTER + + + + + + + + + + + + 0 + C6D6 + InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D + UHOVQNZJYSORNB-MZWXYZOWSA-N + 84.151 + 84.08461 + C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])[2H] + CAS:1076-43-3 + Wikipedia:Deuterated_benzene + ((2)H6)benzene + chebi_ontology + 1,2,3,4,5,6-hexadeuteriobenzene + Benzol-d6 + benzene-1,2,3,4,5,6-d6 + hexadeuterobenzene + perdeuterobenzene + CHEBI:193039 + + benzene-d6 + + + + + + true + + + + + CAS:1076-43-3 + ChemIDplus + + + + + CAS:1076-43-3 + NIST Chemistry WebBook + + + + + ((2)H6)benzene + IUPAC + + + + + + 1,2,3,4,5,6-hexadeuteriobenzene + IUPAC + + + + + Benzol-d6 + SUBMITTER + + + + + benzene-1,2,3,4,5,6-d6 + ChemIDplus + + + + + hexadeuterobenzene + SUBMITTER + + + + + perdeuterobenzene + SUBMITTER + + + + + + + + + + + + 0 + C3D7NO + InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D + ZMXDDKWLCZADIW-YYWVXINBSA-N + 80.138 + 80.09670 + O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H] + CAS:4472-41-7 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF + 1-deuterio-N,N-bis(trideuteriomethyl)formamide + chebi_ontology + DMF-d7 + deuterated DMF + heptadeutero-N,N-dimethylformamide + CHEBI:193040 + + N,N-dimethylformamide-d7 + + + + + + true + + + + + CAS:4472-41-7 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF + SUBMITTER + + + + + 1-deuterio-N,N-bis(trideuteriomethyl)formamide + SUBMITTER + + + + + + DMF-d7 + SUBMITTER + + + + + deuterated DMF + SUBMITTER + + + + + heptadeutero-N,N-dimethylformamide + SUBMITTER + + + + + + + + + + + + 0 + C2D6OS + InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3 + IAZDPXIOMUYVGZ-WFGJKAKNSA-N + 84.170 + 84.05160 + S(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H] + CAS:2206-27-1 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO + trideuterio(trideuteriomethylsulfinyl)methane + chebi_ontology + DMSO-d6 + deuterated DMSO + hexadeuterodimethyl sulfoxide + CHEBI:193041 + + dimethyl sulfoxide-d6 + + + + + + true + + + + + CAS:2206-27-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO + SUBMITTER + + + + + trideuterio(trideuteriomethylsulfinyl)methane + SUBMITTER + + + + + + DMSO-d6 + SUBMITTER + + + + + deuterated DMSO + SUBMITTER + + + + + hexadeuterodimethyl sulfoxide + SUBMITTER + + + + + + + + + + + + 0 + CD2Cl2 + InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2 + YMWUJEATGCHHMB-DICFDUPASA-N + 86.940 + 85.96591 + ClC(Cl)([H])[H] + CAS:1665-00-5 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane + dichloro(dideuterio)methane + chebi_ontology + methylene chloride-d2 + CHEBI:193042 + + dichloromethane-d2 + + + + + + true + + + + + CAS:1665-00-5 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane + SUBMITTER + + + + + dichloro(dideuterio)methane + SUBMITTER + + + + + + methylene chloride-d2 + SUBMITTER + + + + + + + + + + + + 0 + C2D6O + InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D + LFQSCWFLJHTTHZ-LIDOUZCJSA-N + 52.106 + 52.07953 + O(C(C([H])([H])[H])([H])[H])[H] + CAS:1516-08-1 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol + 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane + chebi_ontology + deuterated ethanol + ethyl-d5 alcohol-d + hexadeuteroethanol + CHEBI:193043 + + ethanol-d6 + + + + + + true + + + + + CAS:1516-08-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol + SUBMITTER + + + + + 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane + SUBMITTER + + + + + + deuterated ethanol + SUBMITTER + + + + + ethyl-d5 alcohol-d + SUBMITTER + + + + + hexadeuteroethanol + SUBMITTER + + + + + + + + + + + + 0 + C6D5NO2 + InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D + LQNUZADURLCDLV-RALIUCGRSA-N + 128.142 + 128.06341 + [O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H] + CAS:4165-60-0 + 1,2,3,4,5-pentadeuterio-6-nitrobenzene + chebi_ontology + CHEBI:193044 + + nitrobenzene-d5 + + + + + + true + + + + + CAS:4165-60-0 + SUBMITTER + + + + + 1,2,3,4,5-pentadeuterio-6-nitrobenzene + SUBMITTER + + + + + + + + + + + + + 0 + CD3NO2 + InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3 + LYGJENNIWJXYER-FIBGUPNXSA-N + 64.058 + 64.03521 + [O-][N+](=O)C([2H])([2H])[2H] + CAS:13031-32-8 + trideuterio(nitro)methane + chebi_ontology + deuterated nitromethane + nitro(2H3)methane + CHEBI:193045 + + nitromethane-d3 + + + + + + true + + + + + CAS:13031-32-8 + SUBMITTER + + + + + trideuterio(nitro)methane + SUBMITTER + + + + + + deuterated nitromethane + SUBMITTER + + + + + nitro(2H3)methane + SUBMITTER + + + + + + + + + + + + + 0 + C5D5N + InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D + JUJWROOIHBZHMG-RALIUCGRSA-N + 84.133 + 84.07358 + N1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H] + CAS:7291-22-7 + 2,3,4,5,6-pentadeuteriopyridine + chebi_ontology + (2H5)pyridine + deuterated pyridine + CHEBI:193046 + + pyridine-d5 + + + + + + true + + + + + CAS:7291-22-7 + SUBMITTER + + + + + 2,3,4,5,6-pentadeuteriopyridine + SUBMITTER + + + + + + (2H5)pyridine + SUBMITTER + + + + + deuterated pyridine + SUBMITTER + + + + + + + + + + + + 0 + C4D8O + InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2 + WYURNTSHIVDZCO-SVYQBANQSA-N + 80.156 + 80.10773 + O1C(C(C(C1([H])[H])([H])[H])([H])[H])([H])[H] + CAS:1693-74-9 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF + 2,2,3,3,4,4,5,5-octadeuteriooxolane + chebi_ontology + THF-d8 + deuterated THF + tetrahydrofuran-d8 + CHEBI:193047 + + oxolane-d8 + + + + + + true + + + + + CAS:1693-74-9 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF + SUBMITTER + + + + + 2,2,3,3,4,4,5,5-octadeuteriooxolane + SUBMITTER + + + + + + THF-d8 + SUBMITTER + + + + + deuterated THF + SUBMITTER + + + + + tetrahydrofuran-d8 + SUBMITTER + + + + + + + + + + + + 0 + C7D8 + InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D + YXFVVABEGXRONW-JGUCLWPXSA-N + 100.190 + 100.11281 + C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])C([2H])([2H])[2H] + CAS:2037-26-5 + 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene + chebi_ontology + octadeuterotoluene + perdeuterated toluene + perdeuteriotoluene + CHEBI:193048 + + toluene-d8 + + + + + + true + + + + + CAS:2037-26-5 + SUBMITTER + + + + + 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene + SUBMITTER + + + + + + octadeuterotoluene + SUBMITTER + + + + + perdeuterated toluene + SUBMITTER + + + + + perdeuteriotoluene + SUBMITTER + + + + + + + + + + + + 0 + C2D4O2 + InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD + QTBSBXVTEAMEQO-GUEYOVJQSA-N + 64.076 + 64.04624 + O(C(=O)C([2H])([2H])[2H])[2H] + CAS:1186-52-3 + deuterio 2,2,2-trideuterioacetate + chebi_ontology + (2H3)acetic (2H)acid + CD3COOD + deuterated acetic acid + tetradeuteroacetic acid + CHEBI:193049 + + acetic acid-d4 + + + + + + true + + + + + CAS:1186-52-3 + SUBMITTER + + + + + deuterio 2,2,2-trideuterioacetate + SUBMITTER + + + + + + (2H3)acetic (2H)acid + SUBMITTER + + + + + CD3COOD + SUBMITTER + + + + + deuterated acetic acid + SUBMITTER + + + + + tetradeuteroacetic acid + SUBMITTER + + + + + + + + + + + + 0 + C2DF3O2 + InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD + DTQVDTLACAAQTR-DYCDLGHISA-N + 115.029 + 114.99914 + FC(F)(F)C(O[2H])=O + CAS:599-00-8 + deuterio 2,2,2-trifluoroacetate + chebi_ontology + CF3COOD + TFA-d + deuterated trifluoroacetic acid + deuterotrifluoroacetic acid + trifluoroacetic acid-d + CHEBI:193050 + + trifluoroacetic acid-d1 + + + + + + true + + + + + CAS:599-00-8 + SUBMITTER + + + + + deuterio 2,2,2-trifluoroacetate + SUBMITTER + + + + + + CF3COOD + SUBMITTER + + + + + TFA-d + SUBMITTER + + + + + deuterated trifluoroacetic acid + SUBMITTER + + + + + deuterotrifluoroacetic acid + SUBMITTER + + + + + trifluoroacetic acid-d + SUBMITTER + + + + + + + + + + + 0 + C2Cl3F3 + InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8 + AJDIZQLSFPQPEY-UHFFFAOYSA-N + 187.370 + 185.90177 + C(C(Cl)(F)F)(F)(Cl)Cl + CAS:76-13-1 + Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane + 1,1,2-trichloro-1,2,2-trifluoroethane + chebi_ontology + CFC-113 + Freon 113 + CHEBI:193131 + + 1,1,2-Trichlorotrifluoroethane + + + + + + true + + + + + CAS:76-13-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane + SUBMITTER + + + + + 1,1,2-trichloro-1,2,2-trifluoroethane + SUBMITTER + + + + + + CFC-113 + SUBMITTER + + + + + Freon 113 + SUBMITTER + + + + + + + + + + + + 0 + CD2O2 + InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD + BDAGIHXWWSANSR-PFUFQJKNSA-N + 48.037 + 48.01803 + O(C(=O)[2H])[2H] + CAS:920-42-3 + deuterio deuterioformate + chebi_ontology + (2H)formic (2)acid + DCOOD + CHEBI:193132 + + formic acid-d2 + + + + + + true + + + + + CAS:920-42-3 + SUBMITTER + + + + + deuterio deuterioformate + SUBMITTER + + + + + + (2H)formic (2)acid + SUBMITTER + + + + + DCOOD + SUBMITTER + + + + + + + + + + + + 0 + CH3DO + InChI=1S/CH4O/c1-2/h2H,1H3/i2D + OKKJLVBELUTLKV-VMNATFBRSA-N + 33.048 + 33.03249 + O(C([H])([H])[H])[H] + CAS:1455-13-6 + deuteriooxymethane + chebi_ontology + methyl alcohol-d1 + mono-deuteromethanol + CHEBI:193133 + + methanol-d1 + + + + + + true + + + + + CAS:1455-13-6 + SUBMITTER + + + + + deuteriooxymethane + SUBMITTER + + + + + + methyl alcohol-d1 + SUBMITTER + + + + + mono-deuteromethanol + SUBMITTER + + + + + + + + + + + + 0 + C2D2Cl4 + InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D + QPFMBZIOSGYJDE-QDNHWIQGSA-N + 169.850 + 167.90361 + ClC(Cl)(C(Cl)(Cl)[H])[H] + CAS:33685-54-0 + 1,1,2,2-tetrachloro-1,2-dideuterioethane + chebi_ontology + TCE-d2 + CHEBI:193134 + + 1,1,2,2-tetrachlorethane-d2 + + + + + + true + + + + + CAS:33685-54-0 + SUBMITTER + + + + + 1,1,2,2-tetrachloro-1,2-dideuterioethane + SUBMITTER + + + + + + TCE-d2 + SUBMITTER + + + + + + + + + + + 0 + C2D6O + InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3 + LCGLNKUTAGEVQW-WFGJKAKNSA-N + 52.106 + 52.07953 + O(C([H])([H])[H])C([H])([H])[H] + CAS:17222-37-6 + trideuterio(trideuteriomethoxy)methane + chebi_ontology + (CD3)2O + dimethyl-d6 ether + CHEBI:193135 + + dimethyl ether-d6 + + + + + + true + + + + + CAS:17222-37-6 + SUBMITTER + + + + + trideuterio(trideuteriomethoxy)methane + SUBMITTER + + + + + + (CD3)2O + SUBMITTER + + + + + dimethyl-d6 ether + SUBMITTER + + + + + + + + + + + 0 + FHO3S + InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4) + UQSQSQZYBQSBJZ-UHFFFAOYSA-N + 100.060 + 99.96304 + S(=O)(F)(=O)O + CAS:7789-21-1 + Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid + sulfurofluoridic acid + chebi_ontology + fluorosulfuric acid + monofluorosulfuric acid + perfluorosulfonic acid + CHEBI:193136 + + fluorosulfonic acid + + + + + + true + + + + + CAS:7789-21-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid + SUBMITTER + + + + + sulfurofluoridic acid + SUBMITTER + + + + + + fluorosulfuric acid + SUBMITTER + + + + + monofluorosulfuric acid + SUBMITTER + + + + + perfluorosulfonic acid + SUBMITTER + + + + + + + + + + + + + 0 + F5Sb + InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5 + VBVBHWZYQGJZLR-UHFFFAOYSA-I + 216.752 + 215.89583 + [Sb](F)(F)(F)(F)F + CAS:7783-70-2 + PMID:1113327 + Wikipedia:Antimony_pentafluoride + antimony(V) fluoride + chebi_ontology + Antimon(V)-fluorid + pentafluoridoantimony + CHEBI:193146 + + antimony pentafluoride + + + + + + true + + + + + CAS:7783-70-2 + ChemIDplus + + + + + CAS:7783-70-2 + NIST Chemistry WebBook + + + + + PMID:1113327 + Europe PMC + + + + + antimony(V) fluoride + IUPAC + + + + + + Antimon(V)-fluorid + SUBMITTER + + + + + pentafluoridoantimony + SUBMITTER + + + + + + + + + + 0 + BrF5 + InChI=1S/BrF5/c2-1(3,4,5)6 + XHVUVQAANZKEKF-UHFFFAOYSA-N + 174.896 + 173.91035 + Br(F)(F)(F)(F)F + CAS:7789-30-2 + Chemspider:23008 + Wikipedia:Bromine_pentafluoride + chebi_ontology + CHEBI:193148 + + bromine pentafluoride + + + + + + true + + + + + CAS:7789-30-2 + ChemIDplus + + + + + CAS:7789-30-2 + NIST Chemistry WebBook + + + + + + + + + + + 0 + C6H15O3SSi.Na + InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1 + HWEXKRHYVOGVDA-UHFFFAOYSA-M + 218.320 + 218.04089 + S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+] + Chemspider:67436 + KEGG:D84158 + sodium;3-trimethylsilylpropane-1-sulonate + chebi_ontology + CHEBI:195173 + + 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) + + + + + + true + + + + + sodium;3-trimethylsilylpropane-1-sulonate + IUPAC + + + + + + + + + + + A solvent used in nuclear magnetic resonance (NMR) spectroscopy. + chebi_ontology + NMR solvents + NMR-Loesemittel + NMR-Loesungsmittel + CHEBI:197449 + + NMR solvent + + + + + NMR solvents + SUBMITTER + + + + + NMR-Loesemittel + SUBMITTER + + + + + NMR-Loesungsmittel + SUBMITTER + + + + + + + + + + Any compound that produces a peak used as reference frequency in the delta chemical shift scale. + + chebi_ontology + NMR chemical shift reference compounds + NMR chemical shift standard + NMR chemical shift standards + NMR internal standard + NMR internal standards + NMR reference standard + NMR reference standards + CHEBI:228364 + + NMR chemical shift reference compound + + + + + + "chemical shift calibration compound role" class was added as a grouping super class for "NMR chemical shift reference compound" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class "NMR calibration compound role". + + + + + + NMR chemical shift reference compounds + ChEBI + + + + + NMR chemical shift standard + ChEBI + + + + + NMR chemical shift standards + ChEBI + + + + + NMR internal standard + ChEBI + + + + + NMR internal standards + ChEBI + + + + + NMR reference standard + ChEBI + + + + + NMR reference standards + ChEBI + + + + + + + + + + An organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3. + -1 + C6H15O3SSi + InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1 + TVZRAEYQIKYCPH-UHFFFAOYSA-M + 195.330 + 195.05167 + C[Si](C)(C)CCCS([O-])(=O)=O + PMID:34273131 + PMID:37904798 + PMID:38404187 + 3-(trimethylsilyl)propane-1-sulfonate + chebi_ontology + 2,2-dimethyl-2-silapentane-5-sulfonate + 3-(trimethylsilyl)-1-propanesulfonate + DSS anion + CHEBI:228806 + + 3-(trimethylsilyl)propane-1-sulfonate + + + + + PMID:34273131 + Europe PMC + + + + + PMID:37904798 + Europe PMC + + + + + PMID:38404187 + Europe PMC + + + + + 3-(trimethylsilyl)propane-1-sulfonate + IUPAC + + + + + + 2,2-dimethyl-2-silapentane-5-sulfonate + ChEBI + + + + + 3-(trimethylsilyl)-1-propanesulfonate + ChEBI + + + + + DSS anion + ChEBI + + + + + + + + + + + + The inorganic nitrate salt of yttrium(III). + 0 + NO3.NO3.NO3.Y + InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3 + BXJPTTGFESFXJU-UHFFFAOYSA-N + 274.918 + 274.86929 + [Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:10361-93-0 + PMID:21611672 + PMID:25966754 + PMID:28866266 + PMID:32349286 + PMID:36512970 + PMID:37102272 + Wikipedia:Yttrium(III)_nitrate + yttrium trinitrate + chebi_ontology + nitric acid yttrium(3+) salt + nitric acid, yttrium(3+) salt + yttrium(3+) nitrate + yttrium(III) nitrate + CHEBI:229454 + + yttrium nitrate + + + + + CAS:10361-93-0 + ChEBI + + + + + PMID:21611672 + Europe PMC + + + + + PMID:25966754 + Europe PMC + + + + + PMID:28866266 + Europe PMC + + + + + PMID:32349286 + Europe PMC + + + + + PMID:36512970 + Europe PMC + + + + + PMID:37102272 + Europe PMC + + + + + yttrium trinitrate + IUPAC + + + + + + nitric acid yttrium(3+) salt + ChEBI + + + + + nitric acid, yttrium(3+) salt + ChEBI + + + + + yttrium(3+) nitrate + ChEBI + + + + + yttrium(III) nitrate + ChEBI + + + + + + + + + + + An organocadmium compound that is cadmium substituted by two methyl groups. + 0 + C2H6Cd + InChI=1S/2CH3.Cd/h2*1H3; + KVVGSXJGEUULNM-UHFFFAOYSA-N + 142.484 + 143.95031 + C[Cd]C + CAS:506-82-1 + PMID:11671234 + PMID:1916391 + PMID:22295998 + PMID:22409081 + PMID:27457504 + PMID:28125780 + PMID:28613888 + PMID:31145405 + Wikipedia:Dimethylcadmium + dimethylcadmium + chebi_ontology + Me2Cd + cadmium(2+) carbanide + CHEBI:229455 + + dimethylcadmium + + + + + CAS:506-82-1 + NIST Chemistry WebBook + + + + + PMID:11671234 + Europe PMC + + + + + PMID:1916391 + Europe PMC + + + + + PMID:22295998 + Europe PMC + + + + + PMID:22409081 + Europe PMC + + + + + PMID:27457504 + Europe PMC + + + + + PMID:28125780 + Europe PMC + + + + + PMID:28613888 + Europe PMC + + + + + PMID:31145405 + Europe PMC + + + + + dimethylcadmium + IUPAC + + + + + + Me2Cd + ChEBI + + + + + cadmium(2+) carbanide + ChEBI + + + + + + + + + + + A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group. + 0 + F4OXe + InChI=1S/F4OXe/c1-6(2,3,4)5 + ONRYXFFHIXYZMZ-UHFFFAOYSA-N + 223.286 + 223.89268 + F[Xe](F)(F)(F)=O + CAS:13774-85-1 + Wikipedia:Xenon_oxytetrafluoride + tetrafluoro(oxido)xenon + xenon oxytetrafluoride + chebi_ontology + XeOF4 + xenon fluoride oxide (XeF4O) + xenon fluoride oxide (XeOF4) + xenon monoxide tetrafluoride + xenon oxide fluoride (XeOF4) + xenon oxyfluoride (XeOF4) + xenon tetrafluoride monoxide + xenon tetrafluoride oxide + CHEBI:229456 + + xenon oxytetrafluoride + + + + + CAS:13774-85-1 + NIST Chemistry WebBook + + + + + tetrafluoro(oxido)xenon + IUPAC + + + + + + xenon oxytetrafluoride + ChEBI + + + + + XeOF4 + ChEBI + + + + + xenon fluoride oxide (XeF4O) + ChEBI + + + + + xenon fluoride oxide (XeOF4) + ChEBI + + + + + xenon monoxide tetrafluoride + ChEBI + + + + + xenon oxide fluoride (XeOF4) + ChEBI + + + + + xenon oxyfluoride (XeOF4) + ChEBI + + + + + xenon tetrafluoride monoxide + ChEBI + + + + + xenon tetrafluoride oxide + ChEBI + + + + + + + + + + + 0 + C15H24O6Rh + 403.256 + 403.06279 + chebi_ontology + CHEBI:229457 + + rhodium acetylacetonate + + + + + + + + + + + + + The inorganic nitrate salt of thallium(III). + 0 + NO3.NO3.NO3.Tl + InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3 + KLBIUKJOZFWCLW-UHFFFAOYSA-N + 390.390 + 390.93788 + [Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:13746-98-0 + PMID:12003571 + PMID:1219781 + PMID:13464463 + PMID:15433618 + PMID:20377233 + PMID:20472438 + PMID:25891454 + PMID:33577652 + PMID:38104746 + Wikipedia:Thallium(III)_nitrate + thallium(3+) trinitrate + chebi_ontology + Tl(NO3)3 + nitric acid thallium(3+) salt + nitric acid, thallium(3+) salt + nitric acid, thallium(3+) salt (3:1) + thallic nitrate + thallium nitrate + thallium trinitrate + trinitric acid thallium(III) salt + CHEBI:229458 + + thallium(III) nitrate + + + + + CAS:13746-98-0 + ChEBI + + + + + PMID:12003571 + Europe PMC + + + + + PMID:1219781 + Europe PMC + + + + + PMID:13464463 + Europe PMC + + + + + PMID:15433618 + Europe PMC + + + + + PMID:20377233 + Europe PMC + + + + + PMID:20472438 + Europe PMC + + + + + PMID:25891454 + Europe PMC + + + + + PMID:33577652 + Europe PMC + + + + + PMID:38104746 + Europe PMC + + + + + thallium(3+) trinitrate + IUPAC + + + + + + Tl(NO3)3 + ChEBI + + + + + nitric acid thallium(3+) salt + ChEBI + + + + + nitric acid, thallium(3+) salt + ChEBI + + + + + nitric acid, thallium(3+) salt (3:1) + ChEBI + + + + + thallic nitrate + ChEBI + + + + + thallium nitrate + ChEBI + + + + + thallium trinitrate + ChEBI + + + + + trinitric acid thallium(III) salt + ChEBI + + + + + + + + + + + 0 + C4H10O.BF3 + InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3; + KZMGYPLQYOPHEL-UHFFFAOYSA-N + 141.930 + 142.07768 + B(F)(F)F.O(CC)CC + chebi_ontology + BF3.Et2O + CHEBI:231495 + + Boron trifluoride etherate + + + + + BF3.Et2O + SUBMITTER + + + + + + + + + + + + An inorganic nitrate salt having Sc(3+) as the counterion. + 0 + NO3.NO3.NO3.Sc + InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3 + DFCYEXJMCFQPPA-UHFFFAOYSA-N + 230.968 + 230.91936 + [Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + PMID:23350751 + PMID:30080026 + PMID:35335383 + Wikipedia:13465-60-6 + Wikipedia:Scandium_nitrate + scandium trinitrate + chebi_ontology + Sc(NO3)3 + nitric acid scandium(3+) salt + nitric acid, scandium(3+) salt + scandium nitrate (Sc(NO3)3) + scandium(3+) nitrate + scandium(3+) trinitrate + scandium(III) nitrate + tris(nitrato-O,O')scandium + CHEBI:231498 + + scandium nitrate + + + + + PMID:23350751 + Europe PMC + + + + + PMID:30080026 + Europe PMC + + + + + PMID:35335383 + Europe PMC + + + + + scandium trinitrate + IUPAC + + + + + + Sc(NO3)3 + ChEBI + + + + + nitric acid scandium(3+) salt + ChEBI + + + + + nitric acid, scandium(3+) salt + ChEBI + + + + + scandium nitrate (Sc(NO3)3) + ChEBI + + + + + scandium(3+) nitrate + ChEBI + + + + + scandium(3+) trinitrate + ChEBI + + + + + scandium(III) nitrate + ChEBI + + + + + tris(nitrato-O,O')scandium + ChEBI + + + + + + + + + + + A titanium molecular entity that is titanium which carries 4 chlorine atoms. + 0 + Cl4Ti + InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4 + XJDNKRIXUMDJCW-UHFFFAOYSA-J + 189.670 + 187.82335 + Cl[Ti](Cl)(Cl)Cl + CAS:7550-45-0 + PMID:30210541 + PMID:31459120 + PMID:32551348 + PMID:32775858 + PMID:33403630 + PMID:33511532 + PMID:33715746 + PMID:34252674 + PMID:34380292 + PMID:34528791 + PMID:35166548 + PMID:35613484 + PMID:36272804 + PMID:36415852 + PMID:36615254 + PMID:36615464 + PMID:36758354 + PMID:36982242 + PMID:37582091 + PMID:37629812 + PMID:37931042 + PMID:38282685 + PMID:38334535 + PMID:38398529 + PMID:38656102 + PMID:7378496 + Wikipedia:Titanium_tetrachloride + titanium(4+) tetrachloride + chebi_ontology + TiCl4 + tetrachlorotitanium + titanium chloride + titanium chloride (TiCl4) + titanium(IV) chloride + titanium(IV) tetrachloride + CHEBI:231499 + + titanium tetrachloride + + + + + CAS:7550-45-0 + NIST Chemistry WebBook + + + + + PMID:30210541 + Europe PMC + + + + + PMID:31459120 + Europe PMC + + + + + PMID:32551348 + Europe PMC + + + + + PMID:32775858 + Europe PMC + + + + + PMID:33403630 + Europe PMC + + + + + PMID:33511532 + Europe PMC + + + + + PMID:33715746 + Europe PMC + + + + + PMID:34252674 + Europe PMC + + + + + PMID:34380292 + Europe PMC + + + + + PMID:34528791 + Europe PMC + + + + + PMID:35166548 + Europe PMC + + + + + PMID:35613484 + Europe PMC + + + + + PMID:36272804 + Europe PMC + + + + + PMID:36415852 + Europe PMC + + + + + PMID:36615254 + Europe PMC + + + + + PMID:36615464 + Europe PMC + + + + + PMID:36758354 + Europe PMC + + + + + PMID:36982242 + Europe PMC + + + + + PMID:37582091 + Europe PMC + + + + + PMID:37629812 + Europe PMC + + + + + PMID:37931042 + Europe PMC + + + + + PMID:38282685 + Europe PMC + + + + + PMID:38334535 + Europe PMC + + + + + PMID:38398529 + Europe PMC + + + + + PMID:38656102 + Europe PMC + + + + + PMID:7378496 + Europe PMC + + + + + titanium(4+) tetrachloride + IUPAC + + + + + + TiCl4 + ChEBI + + + + + tetrachlorotitanium + ChEBI + + + + + titanium chloride + ChEBI + + + + + titanium chloride (TiCl4) + ChEBI + + + + + titanium(IV) chloride + ChEBI + + + + + titanium(IV) tetrachloride + ChEBI + + + + + + + + + 0 + Cl3OV + InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3 + JBIQAPKSNFTACH-UHFFFAOYSA-K + 173.290 + 171.84543 + [V](Cl)(=O)(Cl)Cl + chebi_ontology + CHEBI:231500 + + Vanadium oxytrichloride + + + + + + + + + + 0 + CN.CN.CN.CN.CN.CN.Co.K.K.K + InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1 + LGRDAQPMSDIUQJ-UHFFFAOYSA-N + 332.336 + 331.84276 + [Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N + chebi_ontology + CHEBI:231502 + + Potassium cobalticyanide + + + + + + + + + + + + 0 + C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu + InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1 + FXYIJMLSVDZYOJ-UHFFFAOYSA-M + 327.200 + 325.98431 + Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C + chebi_ontology + CHEBI:231503 + + Cu(MeCN)4ClO4 + + + + + + + + + + + + + An inorganic nitrate salt having zinc(2+) as the couterion. + 0 + NO3.NO3.Zn + InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2 + ONDPHDOFVYQSGI-UHFFFAOYSA-N + 189.390 + 187.90478 + [Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:7779-88-6 + PMID:26491297 + PMID:31398835 + PMID:35057288 + PMID:35685711 + PMID:37828577 + PMID:38356607 + Wikipedia:Zinc_nitrate + zinc dinitrate + chebi_ontology + Zn(NO3)2 + nitric acid zinc salt + nitric acid, zinc salt + zinc(II) nitrate + CHEBI:231504 + + zinc nitrate + + + + + CAS:7779-88-6 + ChEBI + + + + + PMID:26491297 + Europe PMC + + + + + PMID:31398835 + Europe PMC + + + + + PMID:35057288 + Europe PMC + + + + + PMID:35685711 + Europe PMC + + + + + PMID:37828577 + Europe PMC + + + + + PMID:38356607 + Europe PMC + + + + + zinc dinitrate + IUPAC + + + + + + Zn(NO3)2 + ChEBI + + + + + nitric acid zinc salt + ChEBI + + + + + nitric acid, zinc salt + ChEBI + + + + + zinc(II) nitrate + ChEBI + + + + + + + + + + + + + The inorganic nitrate salt of gallium. + 0 + NO3.NO3.NO3.Ga + InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1 + CHPZKNULDCNCBW-UHFFFAOYSA-N + 255.735 + 254.88903 + [Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CHEBI:5269 + CAS:13494-90-1 + DrugBank:DB05260 + PMID:23959335 + PMID:24060870 + PMID:24656780 + PMID:26055478 + PMID:26149986 + PMID:26369125 + PMID:26647856 + PMID:26885514 + PMID:27027708 + PMID:29394029 + PMID:31216793 + PMID:31264851 + PMID:31475514 + PMID:31773196 + PMID:32845117 + PMID:32896958 + PMID:33078927 + PMID:33257448 + PMID:33715736 + PMID:34065605 + PMID:34133200 + PMID:34346692 + PMID:34775292 + PMID:35564180 + PMID:36049087 + PMID:36385992 + PMID:36621329 + PMID:37272820 + PMID:37471668 + PMID:38672503 + PMID:7428136 + Wikipedia:Gallium_nitrate + gallium trinitrate + chebi_ontology + Ga(NO3)3 + Ganite + gallium nitrate anhydrous + gallium(III) nitrate + nitric acid gallium salt + nitric acid, gallium salt + CHEBI:231505 + + gallium nitrate + + + + + CAS:13494-90-1 + ChEBI + + + + + PMID:23959335 + Europe PMC + + + + + PMID:24060870 + Europe PMC + + + + + PMID:24656780 + Europe PMC + + + + + PMID:26055478 + Europe PMC + + + + + PMID:26149986 + Europe PMC + + + + + PMID:26369125 + Europe PMC + + + + + PMID:26647856 + Europe PMC + + + + + PMID:26885514 + Europe PMC + + + + + PMID:27027708 + Europe PMC + + + + + PMID:29394029 + Europe PMC + + + + + PMID:31216793 + Europe PMC + + + + + PMID:31264851 + Europe PMC + + + + + PMID:31475514 + Europe PMC + + + + + PMID:31773196 + Europe PMC + + + + + PMID:32845117 + Europe PMC + + + + + PMID:32896958 + Europe PMC + + + + + PMID:33078927 + Europe PMC + + + + + PMID:33257448 + Europe PMC + + + + + PMID:33715736 + Europe PMC + + + + + PMID:34065605 + Europe PMC + + + + + PMID:34133200 + Europe PMC + + + + + PMID:34346692 + Europe PMC + + + + + PMID:34775292 + Europe PMC + + + + + PMID:35564180 + Europe PMC + + + + + PMID:36049087 + Europe PMC + + + + + PMID:36385992 + Europe PMC + + + + + PMID:36621329 + Europe PMC + + + + + PMID:37272820 + Europe PMC + + + + + PMID:37471668 + Europe PMC + + + + + PMID:38672503 + Europe PMC + + + + + PMID:7428136 + Europe PMC + + + + + gallium trinitrate + IUPAC + + + + + + Ga(NO3)3 + ChEBI + + + + + Ganite + DrugBank + + + + + + gallium nitrate anhydrous + ChEBI + + + + + gallium(III) nitrate + ChEBI + + + + + nitric acid gallium salt + ChEBI + + + + + nitric acid, gallium salt + ChEBI + + + + + + + + + + An organogermanium compound that is germanium which carries four methyl groups. + 0 + C4H12Ge + InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3 + ZRLCXMPFXYVHGS-UHFFFAOYSA-N + 132.770 + 134.01508 + C[Ge](C)(C)C + CAS:865-52-1 + PMID:15112560 + PMID:15913252 + PMID:16610821 + PMID:20305357 + PMID:23753000 + PMID:26617304 + PMID:30849877 + tetramethylgermane + chebi_ontology + (CH3)4Ge + Ge(CH3)4 + Me4Ge + tetramethyl germanium + tetramethylgermanium + CHEBI:231506 + + tetramethylgermane + + + + + CAS:865-52-1 + NIST Chemistry WebBook + + + + + PMID:15112560 + Europe PMC + + + + + PMID:15913252 + Europe PMC + + + + + PMID:16610821 + Europe PMC + + + + + PMID:20305357 + Europe PMC + + + + + PMID:23753000 + Europe PMC + + + + + PMID:26617304 + Europe PMC + + + + + PMID:30849877 + Europe PMC + + + + + tetramethylgermane + IUPAC + + + + + + (CH3)4Ge + NIST_Chemistry_WebBook + + + + + Ge(CH3)4 + ChEBI + + + + + Me4Ge + ChEBI + + + + + tetramethyl germanium + ChEBI + + + + + tetramethylgermanium + NIST_Chemistry_WebBook + + + + + + + + + + + + 0 + AsF6.Na + InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1 + NFXMAZFYHDSPPB-UHFFFAOYSA-N + 211.902 + 211.90178 + [As-](F)(F)(F)(F)(F)F.[Na+] + chebi_ontology + CHEBI:231507 + + Sodium hexafluoroarsenate + + + + + + + + + + + + 0 + C10H10Cl2Zr + InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 + QRUYYSPCOGSZGQ-UHFFFAOYSA-L + 292.310 + 289.92066 + [Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl + chebi_ontology + CHEBI:231508 + + Zirconocene dichloride + + + + + + + + + + 0 + H4N.O4Tc + InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1 + WJULHBIORCQBSY-UHFFFAOYSA-O + 179.040 + 179.01000 + [Tc](=O)([O-])(=O)=O.[NH4+] + chebi_ontology + CHEBI:231509 + + Ammonium pertechnetate + + + + + + + + + + + + 0 + C6N6Ru.K.K.K.K + InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2 + FRCBOHAGKUJBHE-UHFFFAOYSA-N + 413.570 + 413.77761 + [CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+] + chebi_ontology + CHEBI:231510 + + Potassium hexacyanoruthenate(ii) + + + + + + + + + + + + + 0 + Cl6Pd.K.K + InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6 + OEDRXJBJMMJUSV-UHFFFAOYSA-H + 397.320 + 393.64401 + [Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+] + chebi_ontology + CHEBI:231511 + + Potassium hexachloropalladate(IV) + + + + + + + + + + + + + The trinitrate salt of indium. + 0 + NO3.NO3.NO3.In + InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1 + LKRFCKCBYVZXTC-UHFFFAOYSA-N + 300.830 + 300.86733 + [In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:13770-61-1 + PMID:31152235 + PMID:38456408 + PMID:38787340 + Wikipedia:Indium(III)_nitrate + indium trinitrate + chebi_ontology + In(NO3)3 + indium nitrate + indium(III) nitrate anhydrous + nitric acid indium(3+) salt + nitric acid, indium(3+) salt + CHEBI:231512 + + indium(III) nitrate + + + + + CAS:13770-61-1 + ChEBI + + + + + PMID:31152235 + Europe PMC + + + + + PMID:38456408 + Europe PMC + + + + + PMID:38787340 + Europe PMC + + + + + indium trinitrate + IUPAC + + + + + + In(NO3)3 + ChEBI + + + + + indium nitrate + ChEBI + + + + + indium(III) nitrate anhydrous + ChEBI + + + + + nitric acid indium(3+) salt + ChEBI + + + + + nitric acid, indium(3+) salt + ChEBI + + + + + + + + + + + + + + 0 + Cl6Sb.K + InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6 + QWPXFQMWSGNALL-UHFFFAOYSA-H + 373.560 + 369.68063 + [Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+] + chebi_ontology + CHEBI:231513 + + Kaliumhexachloroantimonat(V) + + + + + + + + + + + + + The inorganic nitrate salt of caesium. + 0 + NO3.Cs + InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1 + NLSCHDZTHVNDCP-UHFFFAOYSA-N + 194.909 + 194.89327 + [Cs+].[O-][N+]([O-])=O + CAS:7789-18-6 + PMID:10855667 + PMID:11080873 + PMID:16755612 + PMID:17117865 + PMID:30151534 + PMID:35411853 + Wikipedia:Caesium_nitrate + caesium nitrate + chebi_ontology + CsNO3 + cesium nitrate + nitric acid cesium salt + nitric acid, cesium salt + CHEBI:231514 + + caesium nitrate + + + + + CAS:7789-18-6 + NIST Chemistry WebBook + + + + + PMID:10855667 + Europe PMC + + + + + PMID:11080873 + Europe PMC + + + + + PMID:16755612 + Europe PMC + + + + + PMID:17117865 + Europe PMC + + + + + PMID:30151534 + Europe PMC + + + + + PMID:35411853 + Europe PMC + + + + + caesium nitrate + IUPAC + + + + + + CsNO3 + ChEBI + + + + + cesium nitrate + NIST_Chemistry_WebBook + + + + + nitric acid cesium salt + ChEBI + + + + + nitric acid, cesium salt + ChEBI + + + + + + + + + + + + + + + The trichloride salt of lanthanum. + 0 + Cl3La + InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3 + ICAKDTKJOYSXGC-UHFFFAOYSA-K + 245.260 + 243.81292 + Cl[La](Cl)Cl + CAS:10099-58-8 + PMID:25048927 + PMID:29698762 + PMID:30116365 + PMID:30617363 + PMID:31187842 + PMID:31776842 + PMID:32461997 + PMID:33206094 + PMID:34688703 + PMID:34977076 + PMID:35303612 + PMID:35661286 + PMID:35727352 + PMID:35809677 + PMID:36006215 + PMID:37767339 + PMID:37837874 + PMID:38222531 + PMID:38322316 + Wikipedia:Lanthanum(III)_chloride + lanthanum trichloride + chebi_ontology + LaCl3 + lanthanum chloride + lanthanum chloride (LaCl3) + lanthanum(III) chloride + CHEBI:231515 + + lanthanum trichloride + + + + + lanthanum trichloride + IUPAC + + + + + + LaCl3 + ChEBI + + + + + lanthanum chloride + ChEBI + + + + + lanthanum chloride (LaCl3) + ChEBI + + + + + lanthanum(III) chloride + ChEBI + + + + + CAS:10099-58-8 + NIST Chemistry WebBook + + + + + PMID:25048927 + Europe PMC + + + + + PMID:29698762 + Europe PMC + + + + + PMID:30116365 + Europe PMC + + + + + PMID:30617363 + Europe PMC + + + + + PMID:31187842 + Europe PMC + + + + + PMID:31776842 + Europe PMC + + + + + PMID:32461997 + Europe PMC + + + + + PMID:33206094 + Europe PMC + + + + + PMID:34688703 + Europe PMC + + + + + PMID:34977076 + Europe PMC + + + + + PMID:35303612 + Europe PMC + + + + + PMID:35661286 + Europe PMC + + + + + PMID:35727352 + Europe PMC + + + + + PMID:35809677 + Europe PMC + + + + + PMID:36006215 + Europe PMC + + + + + PMID:37767339 + Europe PMC + + + + + PMID:37837874 + Europe PMC + + + + + PMID:38222531 + Europe PMC + + + + + PMID:38322316 + Europe PMC + + + + + + + + + + + A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium. + 0 + C4D12Si + InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3 + CZDYPVPMEAXLPK-MGKWXGLJSA-N + 100.298 + 100.14615 + [2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] + CAS:18145-38-5 + tetrakis[((2)H3)methyl]silane + chebi_ontology + (CD3)4Si + TMS-d12 + tetra((2)H3)methylsilane + tetra(methyl-d3)silane + tetrakis(trideuteriomethyl)silane + tetrakis(trideuteromethyl)silane + tetramethylsilane (TMS)-d12 + CHEBI:231529 + + tetramethylsilane-d12 + + + + + CAS:18145-38-5 + ChEBI + + + + + tetrakis[((2)H3)methyl]silane + IUPAC + + + + + + (CD3)4Si + ChEBI + + + + + TMS-d12 + ChEBI + + + + + tetra((2)H3)methylsilane + ChEBI + + + + + tetra(methyl-d3)silane + ChEBI + + + + + tetrakis(trideuteriomethyl)silane + ChEBI + + + + + tetrakis(trideuteromethyl)silane + ChEBI + + + + + tetramethylsilane (TMS)-d12 + ChEBI + + + + + + + + + + 0 + Cl.Cl.Cl.Cl.Cl.Cl.K.Ta + InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6 + WLOUZLJQZAAGJG-UHFFFAOYSA-H + 432.750 + 429.72482 + [Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+] + chebi_ontology + CHEBI:231536 + + Potassium;tantalum(5+);hexachloride + + + + + + + + + + + 0 + O4Re.K + InChI=1S/K.4O.Re/q+1;;;;-1; + QFKRWIFGDGKWLM-UHFFFAOYSA-N + 289.301 + 289.89911 + [Re](=O)(=O)(=O)[O-].[K+] + chebi_ontology + CHEBI:231537 + + Potassium perrhenate + + + + + + + + + + + 0 + NO3.NO3.NO3.Bi + InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1 + PPNKDDZCLDMRHS-UHFFFAOYSA-N + 394.992 + 394.94385 + [Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-] + chebi_ontology + CHEBI:231538 + + Bismut(III)-nitrat + + + + + + + + + + + + 0 + Cl6Nb.K + InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6 + GCHPLIDUVOJGPP-UHFFFAOYSA-H + 344.700 + 341.68319 + [K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl + PMCID:PMC7157447 + potassium hexachloroniobate(1-) + chebi_ontology + KNbCl6 + K[NbCl6] + CHEBI:231541 + + potassium hexachloroniobate(1-) + + + + + PMCID:PMC7157447 + Europe PMC + + + + + potassium hexachloroniobate(1-) + IUPAC + + + + + + KNbCl6 + ChEBI + + + + + K[NbCl6] + ChEBI + + + + + + + + + Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. + molecular entity + chebi_ontology + entidad molecular + entidades moleculares + entite moleculaire + molecular entities + molekulare Entitaet + CHEBI:23367 + + molecular entity + + + + + molecular entity + IUPAC + + + + + + entidad molecular + IUPAC + + + + + entidades moleculares + IUPAC + + + + + entite moleculaire + IUPAC + + + + + molecular entities + IUPAC + + + + + molekulare Entitaet + ChEBI + + + + + + + + + A molecular entity that contains no carbon. + chebi_ontology + anorganische Verbindungen + inorganic compounds + inorganic entity + inorganic molecular entities + inorganics + CHEBI:24835 + + inorganic molecular entity + + + + + anorganische Verbindungen + ChEBI + + + + + inorganic compounds + ChEBI + + + + + inorganic entity + ChEBI + + + + + inorganic molecular entities + ChEBI + + + + + inorganics + ChEBI + + + + + + + + + A molecular entity having a net electric charge. + Ion + ion + chebi_ontology + Ionen + iones + ions + CHEBI:24870 + + ion + + + + + Ion + ChEBI + + + + + ion + ChEBI + + + + + ion + IUPAC + + + + + + Ionen + ChEBI + + + + + iones + ChEBI + + + + + ions + ChEBI + + + + + + + + + + + A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. + 0 + H3O4P + InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) + NBIIXXVUZAFLBC-UHFFFAOYSA-N + 97.99520 + 97.97690 + [H]OP(=O)(O[H])O[H] + CAS:7664-38-2 + Drug_Central:4478 + Gmelin:2000 + HMDB:HMDB0002142 + KEGG:C00009 + KEGG:D05467 + KNApSAcK:C00007408 + PMID:11455380 + PMID:15630224 + PMID:17439666 + PMID:17518491 + PMID:22282755 + PMID:22333268 + PMID:22381614 + PMID:22401268 + Reaxys:1921286 + Wikipedia:Phosphoric_Acid + Phosphoric acid + phosphoric acid + tetraoxophosphoric acid + trihydrogen tetraoxophosphate(3-) + trihydroxidooxidophosphorus + chebi_ontology + H3PO4 + Orthophosphoric acid + Phosphate + Phosphorsaeure + Phosphorsaeureloesungen + [PO(OH)3] + acide phosphorique + acidum phosphoricum + orthophosphoric acid + CHEBI:26078 + + phosphoric acid + + + + + CAS:7664-38-2 + ChemIDplus + + + + + CAS:7664-38-2 + KEGG COMPOUND + + + + + CAS:7664-38-2 + NIST Chemistry WebBook + + + + + Drug_Central:4478 + DrugCentral + + + + + Gmelin:2000 + Gmelin + + + + + PMID:11455380 + Europe PMC + + + + + PMID:15630224 + Europe PMC + + + + + PMID:17439666 + Europe PMC + + + + + PMID:17518491 + Europe PMC + + + + + PMID:22282755 + Europe PMC + + + + + PMID:22333268 + Europe PMC + + + + + PMID:22381614 + Europe PMC + + + + + PMID:22401268 + Europe PMC + + + + + Reaxys:1921286 + Reaxys + + + + + Phosphoric acid + KEGG_COMPOUND + + + + + phosphoric acid + IUPAC + + + + + tetraoxophosphoric acid + IUPAC + + + + + + trihydrogen tetraoxophosphate(3-) + IUPAC + + + + + + trihydroxidooxidophosphorus + IUPAC + + + + + + H3PO4 + IUPAC + + + + + Orthophosphoric acid + KEGG_COMPOUND + + + + + Phosphate + KEGG_COMPOUND + + + + + Phosphorsaeure + ChEBI + + + + + Phosphorsaeureloesungen + ChEBI + + + + + [PO(OH)3] + IUPAC + + + + + acide phosphorique + ChEBI + + + + + acidum phosphoricum + ChEBI + + + + + orthophosphoric acid + NIST_Chemistry_WebBook + + + + + + + + + + + + + + An inorganic chloride salt having sodium(1+) as the counterion. + 0 + ClNa + InChI=1S/ClH.Na/h1H;/q;+1/p-1 + FAPWRFPIFSIZLT-UHFFFAOYSA-M + 58.44247 + 57.95862 + [Na+].[Cl-] + CAS:7647-14-5 + Gmelin:13673 + KEGG:C13563 + KEGG:D02056 + MetaCyc:NACL + PPDB:595 + Reaxys:3534976 + Wikipedia:Sodium_Chloride + sodium chloride + chebi_ontology + Kochsalz + NaCl + Natriumchlorid + chlorure de sodium + cloruro sodico + common salt + halite + natrii chloridum + rock salt + salt + table salt + CHEBI:26710 + + sodium chloride + + + + + CAS:7647-14-5 + ChemIDplus + + + + + CAS:7647-14-5 + KEGG COMPOUND + + + + + CAS:7647-14-5 + NIST Chemistry WebBook + + + + + Gmelin:13673 + Gmelin + + + + + Reaxys:3534976 + Reaxys + + + + + sodium chloride + ChEBI + + + + + sodium chloride + IUPAC + + + + + + Kochsalz + ChEBI + + + + + NaCl + IUPAC + + + + + Natriumchlorid + NIST_Chemistry_WebBook + + + + + chlorure de sodium + ChEBI + + + + + cloruro sodico + ChEBI + + + + + common salt + ChemIDplus + + + + + halite + NIST_Chemistry_WebBook + + + + + natrii chloridum + ChEBI + + + + + rock salt + ChemIDplus + + + + + salt + ChemIDplus + + + + + table salt + ChemIDplus + + + + + + + + + + A diatomic molecule containing covalently bonded hydrogen and fluorine atoms. + 0 + FH + InChI=1S/FH/h1H + KRHYYFGTRYWZRS-UHFFFAOYSA-N + 20.00634 + 20.00623 + F[H] + CAS:7664-39-3 + Drug_Central:4499 + Gmelin:166 + KEGG:C16487 + Hydrogen fluoride + fluorane + fluoridohydrogen + hydrogen fluoride + chebi_ontology + Fluoride + Fluorwasserstoff + HF + Hydrogenfluorid + [HF] + fluorure d'hydrogene + hydrofluoric acid + CHEBI:29228 + + hydrogen fluoride + + + + + CAS:7664-39-3 + ChemIDplus + + + + + CAS:7664-39-3 + KEGG COMPOUND + + + + + CAS:7664-39-3 + NIST Chemistry WebBook + + + + + Drug_Central:4499 + DrugCentral + + + + + Gmelin:166 + Gmelin + + + + + Hydrogen fluoride + KEGG_COMPOUND + + + + + fluorane + IUPAC + + + + + + fluoridohydrogen + IUPAC + + + + + + hydrogen fluoride + IUPAC + + + + + + Fluoride + KEGG_COMPOUND + + + + + Fluorwasserstoff + ChEBI + + + + + HF + IUPAC + + + + + Hydrogenfluorid + ChEBI + + + + + [HF] + IUPAC + + + + + fluorure d'hydrogene + ChEBI + + + + + hydrofluoric acid + ChemIDplus + + + + + + + + + + The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first). + 0 + [1H] + InChI=1S/H/i1+0 + YZCKVEUIGOORGS-IGMARMGPSA-N + 1.008 + 1.00783 + [1H] + protium + chebi_ontology + (1)1H + (1)H + hydrogen-1 + protio + protium + CHEBI:29236 + + protium atom + + + + + protium + IUPAC + + + + + + (1)1H + IUPAC + + + + + (1)H + IUPAC + + + + + hydrogen-1 + ChEBI + + + + + protio + ChEBI + + + + + protium + ChEBI + + + + + + + + + + The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second). + 0 + D + InChI=1S/H2/h1H/i1+1 + UFHFLCQGNIYNRP-OUBTZVSYSA-N + 2.014 + 2.01410 + [2H] + deuterium + chebi_ontology + (2)1H + (2)H + D + Deuterium + deuterio + deuterium + heavy hydrogen + hidrogeno pesado + hydrogen-2 + schwerer Wasserstoff + CHEBI:29237 + + deuterium atom + + + + + deuterium + IUPAC + + + + + + (2)1H + IUPAC + + + + + (2)H + IUPAC + + + + + D + IUPAC + + + + + Deuterium + ChEBI + + + + + deuterio + ChEBI + + + + + deuterium + ChEBI + + + + + heavy hydrogen + ChEBI + + + + + hidrogeno pesado + ChEBI + + + + + hydrogen-2 + ChEBI + + + + + schwerer Wasserstoff + ChEBI + + + + + + + + + + The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third). + 0 + T + InChI=1S/H2/h1H/i1+2 + UFHFLCQGNIYNRP-NJFSPNSNSA-N + 3.016 + 3.01605 + [3H] + tritium + chebi_ontology + (3)1H + (3)H + T + hydrogen-3 + tritio + tritium + ueberschwerer Wasserstoff + CHEBI:29238 + + tritium atom + + + + + tritium + IUPAC + + + + + + (3)1H + IUPAC + + + + + (3)H + IUPAC + + + + + T + IUPAC + + + + + hydrogen-3 + ChEBI + + + + + tritio + ChEBI + + + + + tritium + ChEBI + + + + + ueberschwerer Wasserstoff + ChEBI + + + + + + + + + + 0 + C4H12Pb + InChI=1S/4CH3.Pb/h4*1H3; + XOOGZRUBTYCLHG-UHFFFAOYSA-N + 267.33808 + 268.07055 + C[Pb](C)(C)C + Beilstein:3902986 + CAS:75-74-1 + Gmelin:2491 + tetramethyllead + tetramethylplumbane + chebi_ontology + Bleitetramethyl + PbMe4 + TML + lead tetramethyl + tetramethyl lead + CHEBI:30183 + + tetramethyllead + + + + + Beilstein:3902986 + ChemIDplus + + + + + CAS:75-74-1 + ChemIDplus + + + + + CAS:75-74-1 + NIST Chemistry WebBook + + + + + Gmelin:2491 + Gmelin + + + + + tetramethyllead + IUPAC + + + + + + tetramethylplumbane + IUPAC + + + + + + Bleitetramethyl + ChEBI + + + + + PbMe4 + IUPAC + + + + + TML + NIST_Chemistry_WebBook + + + + + lead tetramethyl + ChemIDplus + + + + + tetramethyl lead + ChemIDplus + + + + + + + + + + The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium. + 0 + [3He] + InChI=1S/He/i1-1 + SWQJXJOGLNCZEY-BJUDXGSMSA-N + 3.016 + 3.01603 + [3He] + CAS:14762-55-1 + Gmelin:14208 + helium-3 + chebi_ontology + (3)2He + (3)He + (3He)helium + helium, isotope of mass 3 + helium-3 + CHEBI:30218 + + helium-3 atom + + + + + CAS:14762-55-1 + ChemIDplus + + + + + Gmelin:14208 + Gmelin + + + + + helium-3 + IUPAC + + + + + + (3)2He + IUPAC + + + + + (3)He + IUPAC + + + + + (3He)helium + ChemIDplus + + + + + helium, isotope of mass 3 + ChemIDplus + + + + + helium-3 + ChEBI + + + + + + + + + + 0 + F2 + InChI=1S/F2/c1-2 + PXGOKWXKJXAPGV-UHFFFAOYSA-N + 37.99681 + 37.99681 + FF + CAS:7782-41-4 + Gmelin:544 + difluorine + chebi_ontology + F2 + bifluoriden + fluorine + CHEBI:30236 + + difluorine + + + + + CAS:7782-41-4 + ChemIDplus + + + + + CAS:7782-41-4 + NIST Chemistry WebBook + + + + + Gmelin:544 + Gmelin + + + + + difluorine + IUPAC + + + + + + F2 + IUPAC + + + + + bifluoriden + NIST_Chemistry_WebBook + + + + + fluorine + NIST_Chemistry_WebBook + + + + + + + + + + + 0 + C5FeO5 + InChI=1S/5CO.Fe/c5*1-2; + FYOFOKCECDGJBF-UHFFFAOYSA-N + 195.89550 + 195.90951 + [O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O] + CAS:13463-40-6 + Gmelin:3567 + Gmelin:3568 + MolBase:49 + pentacarbonyliron + pentacarbonyliron(0) + chebi_ontology + [Fe(CO)5] + iron pentacarbonyl + CHEBI:30251 + + pentacarbonyliron + + + + + CAS:13463-40-6 + ChemIDplus + + + + + CAS:13463-40-6 + NIST Chemistry WebBook + + + + + Gmelin:3567 + Gmelin + + + + + Gmelin:3568 + Gmelin + + + + + pentacarbonyliron + IUPAC + + + + + + pentacarbonyliron(0) + IUPAC + + + + + + [Fe(CO)5] + IUPAC + + + + + iron pentacarbonyl + NIST_Chemistry_WebBook + + + + + + + + + + + 0 + C4NiO4 + InChI=1S/4CO.Ni/c4*1-2; + AWDHUGLHGCVIEG-UHFFFAOYSA-N + 170.73380 + 169.91500 + [O]#C[Ni](C#[O])(C#[O])C#[O] + Beilstein:6122797 + Beilstein:6711606 + CAS:13463-39-3 + Gmelin:101586 + Gmelin:3135 + MolBase:138 + tetracarbonylnickel + tetracarbonylnickel(0) + chebi_ontology + Nickel carbonyl + Nickel tetracarbonyl + [Ni(CO)4] + CHEBI:30372 + + tetracarbonylnickel + + + + + Beilstein:6122797 + Beilstein + + + + + Beilstein:6711606 + Beilstein + + + + + CAS:13463-39-3 + ChemIDplus + + + + + CAS:13463-39-3 + NIST Chemistry WebBook + + + + + Gmelin:101586 + Gmelin + + + + + Gmelin:3135 + Gmelin + + + + + tetracarbonylnickel + IUPAC + + + + + + tetracarbonylnickel(0) + IUPAC + + + + + + Nickel carbonyl + ChemIDplus + + + + + Nickel tetracarbonyl + NIST_Chemistry_WebBook + + + + + [Ni(CO)4] + IUPAC + + + + + + + + + + + + An organotin compound carrying four methyl groups. + 0 + C4H12Sn + InChI=1S/4CH3.Sn/h4*1H3; + VXKWYPOMXBVZSJ-UHFFFAOYSA-N + 178.84808 + 179.99610 + C[Sn](C)(C)C + CAS:594-27-4 + Gmelin:1938 + MolBase:817 + PMID:22007212 + PMID:23320683 + Patent:US4216066 + Reaxys:3647887 + Wikipedia:Tetramethyltin + tetramethylstannane + tetramethyltin + chebi_ontology + (CH3)4Sn + SnMe4 + [SnMe4] + CHEBI:30420 + + tetramethyltin + + + + + CAS:594-27-4 + ChemIDplus + + + + + CAS:594-27-4 + NIST Chemistry WebBook + + + + + Gmelin:1938 + Gmelin + + + + + PMID:22007212 + Europe PMC + + + + + PMID:23320683 + Europe PMC + + + + + Reaxys:3647887 + Reaxys + + + + + tetramethylstannane + IUPAC + + + + + + tetramethyltin + IUPAC + + + + + + (CH3)4Sn + NIST_Chemistry_WebBook + + + + + SnMe4 + IUPAC + + + + + [SnMe4] + MolBase + + + + + + + + + A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years). + 0 + F6S + InChI=1S/F6S/c1-7(2,3,4,5)6 + SFZCNBIFKDRMGX-UHFFFAOYSA-N + 146.050 + 145.96249 + FS(F)(F)(F)(F)F + CAS:2551-62-4 + Drug_Central:4039 + Gmelin:2752 + KEGG:D05962 + MolBase:971 + PMID:25459612 + PMID:25559529 + PMID:25607376 + PMID:25647411 + PMID:25660738 + Reaxys:7247840 + Wikipedia:Sulfur_hexafluoride + hexafluoridosulfur + sulfur hexafluoride + sulfur(6+) fluoride + sulfur(VI) fluoride + chebi_ontology + SF6 + Sonovue + [SF6] + CHEBI:30496 + + sulfur hexafluoride + + + + + CAS:2551-62-4 + ChemIDplus + + + + + CAS:2551-62-4 + NIST Chemistry WebBook + + + + + Drug_Central:4039 + DrugCentral + + + + + Gmelin:2752 + Gmelin + + + + + PMID:25459612 + Europe PMC + + + + + PMID:25559529 + Europe PMC + + + + + PMID:25607376 + Europe PMC + + + + + PMID:25647411 + Europe PMC + + + + + PMID:25660738 + Europe PMC + + + + + Reaxys:7247840 + Reaxys + + + + + hexafluoridosulfur + IUPAC + + + + + + sulfur hexafluoride + IUPAC + + + + + + sulfur(6+) fluoride + IUPAC + + + + + + sulfur(VI) fluoride + IUPAC + + + + + + SF6 + IUPAC + + + + + Sonovue + KEGG_DRUG + + + + + + [SF6] + MolBase + + + + + + + + + + + + 0 + C2H6Hg + InChI=1S/2CH3.Hg/h2*1H3; + ATZBPOVXVPIOMR-UHFFFAOYSA-N + 230.65904 + 232.01759 + C[Hg]C + Beilstein:3600205 + CAS:593-74-8 + Gmelin:25889 + MolBase:298 + dimethylmercury + chebi_ontology + Dimethyl mercury + [HgMe2] + CHEBI:30786 + + dimethylmercury + + + + + Beilstein:3600205 + Beilstein + + + + + CAS:593-74-8 + ChemIDplus + + + + + CAS:593-74-8 + NIST Chemistry WebBook + + + + + Gmelin:25889 + Gmelin + + + + + dimethylmercury + IUPAC + + + + + + Dimethyl mercury + ChemIDplus + + + + + [HgMe2] + MolBase + + + + + + + + + + + + + 0 + AgNO3 + InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1 + SQGYOTSLMSWVJD-UHFFFAOYSA-N + 169.87314 + 168.89291 + [Ag+].[O-]N(=O)=O + CAS:7761-88-8 + Gmelin:23909 + KEGG:D01730 + Wikipedia:Silver_nitrate + silver mononitrate + silver(1+) nitrate + silver(I) nitrate + chebi_ontology + AgNO3 + nitric acid silver(I) salt + silver nitrate + CHEBI:32130 + + silver(1+) nitrate + + + + + CAS:7761-88-8 + ChemIDplus + + + + + Gmelin:23909 + Gmelin + + + + + silver mononitrate + IUPAC + + + + + + silver(1+) nitrate + IUPAC + + + + + + silver(I) nitrate + IUPAC + + + + + + AgNO3 + IUPAC + + + + + nitric acid silver(I) salt + ChemIDplus + + + + + silver nitrate + ChemIDplus + + + + + + + + + + + + + + + A metal chloride salt with a K(+) counterion. + 0 + ClK + InChI=1S/ClH.K/h1H;/q;+1/p-1 + WCUXLLCKKVVCTQ-UHFFFAOYSA-M + 74.55100 + 73.93256 + [Cl-].[K+] + CAS:7447-40-7 + DrugBank:DB00761 + KEGG:D02060 + MetaCyc:KCL + MolBase:881 + Reaxys:3534978 + Wikipedia:Potassium_Chloride + potassium chloride + chebi_ontology + KCl + Kaliumchlorid + Kaon-Cl 10 + Klor-con + Klotrix + Monopotassium chloride + [KCl] + muriate of potash + sylvite + CHEBI:32588 + + potassium chloride + + + + + CAS:7447-40-7 + ChemIDplus + + + + + CAS:7447-40-7 + NIST Chemistry WebBook + + + + + Reaxys:3534978 + Reaxys + + + + + potassium chloride + IUPAC + + + + + + KCl + IUPAC + + + + + Kaliumchlorid + ChEBI + + + + + Kaon-Cl 10 + KEGG_DRUG + + + + + + Klor-con + KEGG_DRUG + + + + + + Klotrix + KEGG_DRUG + + + + + + Monopotassium chloride + DrugBank + + + + + [KCl] + MolBase + + + + + muriate of potash + NIST_Chemistry_WebBook + + + + + sylvite + ChEBI + + + + + + + + + + 0 + C2H3NaO2 + InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 + VMHLLURERBWHNL-UHFFFAOYSA-M + 82.03379 + 82.00307 + [Na+].CC([O-])=O + Beilstein:3595639 + CAS:127-09-3 + Gmelin:20502 + Wikipedia:Sodium_Acetate + sodium acetate + chebi_ontology + Natriumazetat + acetic acid, sodium salt + anhydrous sodium acetate + sodium acetate anhydrous + CHEBI:32954 + + sodium acetate + + + + + Beilstein:3595639 + Beilstein + + + + + CAS:127-09-3 + ChemIDplus + + + + + Gmelin:20502 + Gmelin + + + + + sodium acetate + IUPAC + + + + + + Natriumazetat + ChEBI + + + + + acetic acid, sodium salt + ChemIDplus + + + + + anhydrous sodium acetate + ChemIDplus + + + + + sodium acetate anhydrous + ChemIDplus + + + + + + + + + + + + + 0 + CaCl2 + InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2 + UXVMQQNJUSDDNG-UHFFFAOYSA-L + 110.98340 + 109.90030 + [Cl-].[Cl-].[Ca++] + AGR:IND607339542 + CAS:10043-52-4 + DrugBank:DB01164 + FooDB:FDB015404 + HMDB:HMDB0303526 + KEGG:C08130 + MetaCyc:CPD0-1589 + MolBase:1869 + PMID:11057678 + PMID:13333715 + PMID:32018153 + PMID:32441097 + PMID:34618995 + PMID:34981086 + PMID:35159430 + PMID:35159592 + PMID:35200459 + PMID:35260323 + PPDB:109 + Wikipedia:Calcium_Chloride + calcium chloride + calcium dichloride + chebi_ontology + CaCl2 + Calcium chloride anhydrous + [CaCl2] + calcium chloride anhydrous + CHEBI:3312 + + calcium dichloride + + + + + AGR:IND607339542 + Europe PMC + + + + + CAS:10043-52-4 + ChemIDplus + + + + + CAS:10043-52-4 + KEGG COMPOUND + + + + + CAS:10043-52-4 + NIST Chemistry WebBook + + + + + PMID:11057678 + Europe PMC + + + + + PMID:13333715 + Europe PMC + + + + + PMID:32018153 + Europe PMC + + + + + PMID:32441097 + Europe PMC + + + + + PMID:34618995 + Europe PMC + + + + + PMID:34981086 + Europe PMC + + + + + PMID:35159430 + Europe PMC + + + + + PMID:35159592 + Europe PMC + + + + + PMID:35200459 + Europe PMC + + + + + PMID:35260323 + Europe PMC + + + + + calcium chloride + IUPAC + + + + + + calcium dichloride + IUPAC + + + + + + CaCl2 + IUPAC + + + + + Calcium chloride anhydrous + KEGG_COMPOUND + + + + + [CaCl2] + MolBase + + + + + calcium chloride anhydrous + ChemIDplus + + + + + + + + + Intended use of the molecular entity or part thereof by humans. + chebi_ontology + CHEBI:33232 + + application + + + + + + + + + + + + + + + A chemical entity constituting the smallest component of an element having the chemical properties of the element. + CHEBI:22671 + CHEBI:23907 + atom + chebi_ontology + atome + atomo + atoms + atomus + element + elements + CHEBI:33250 + + atom + + + + + atom + IUPAC + + + + + + atome + IUPAC + + + + + atomo + IUPAC + + + + + atoms + ChEBI + + + + + atomus + ChEBI + + + + + element + ChEBI + + + + + elements + ChEBI + + + + + + + + + A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. + nucleus + chebi_ontology + Atomkern + Kern + noyau + noyau atomique + nuclei + nucleo + nucleo atomico + nucleus atomi + CHEBI:33252 + + atomic nucleus + + + + + nucleus + IUPAC + + + + + + Atomkern + ChEBI + + + + + Kern + ChEBI + + + + + noyau + IUPAC + + + + + noyau atomique + ChEBI + + + + + nuclei + ChEBI + + + + + nucleo + IUPAC + + + + + nucleo atomico + ChEBI + + + + + nucleus atomi + ChEBI + + + + + + + + + A molecular entity all atoms of which have the same atomic number. + chebi_ontology + homoatomic entity + homoatomic molecular entities + homoatomic molecular entity + CHEBI:33259 + + elemental molecular entity + + + + + homoatomic entity + ChEBI + + + + + homoatomic molecular entities + ChEBI + + + + + homoatomic molecular entity + ChEBI + + + + + + + + + + + 0 + Ne + InChI=1S/Ne + GKAOGPIIYCISHV-UHFFFAOYSA-N + 20.17970 + 19.99244 + [Ne] + CAS:7440-01-9 + WebElements:Ne + neon + chebi_ontology + 10Ne + Ne + Neon + neon + CHEBI:33310 + + neon atom + + + + + CAS:7440-01-9 + ChemIDplus + + + + + neon + IUPAC + + + + + + 10Ne + IUPAC + + + + + Ne + ChEBI + + + + + Neon + ChEBI + + + + + neon + ChEBI + + + + + + + + + 0 + [99Tc] + InChI=1S/Tc/i1+1 + GKLVYJBZJHMRIY-OUBTZVSYSA-N + 98.906 + 98.90625 + [99Tc] + CAS:14133-76-7 + Gmelin:41657 + technetium-99 + chebi_ontology + (99)43Tc + (99)Tc + technetium, isotope of mass 99 + CHEBI:33371 + + technetium-99 + + + + + CAS:14133-76-7 + ChemIDplus + + + + + Gmelin:41657 + Gmelin + + + + + technetium-99 + IUPAC + + + + + + (99)43Tc + IUPAC + + + + + (99)Tc + IUPAC + + + + + technetium, isotope of mass 99 + ChemIDplus + + + + + + + + + A molecular entity containing one or more atoms of a transition element. + chebi_ontology + transition element molecular entities + transition metal molecular entity + CHEBI:33497 + + transition element molecular entity + + + + + transition element molecular entities + ChEBI + + + + + transition metal molecular entity + ChEBI + + + + + + + + + A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. + chebi_ontology + main group compounds + main group molecular entities + CHEBI:33579 + + main group molecular entity + + + + + main group compounds + ChEBI + + + + + main group molecular entities + ChEBI + + + + + + + + + + + 0 + He + InChI=1S/He + SWQJXJOGLNCZEY-UHFFFAOYSA-N + 4.00260 + 4.00260 + [He] + CAS:7440-59-7 + MolBase:922 + PMID:24383961 + PMID:24406316 + PMID:24430541 + PMID:24553240 + Wikipedia:Helium + helium(0) + chebi_ontology + E 939 + E-939 + E939 + He + [He] + atomic helium + helium + CHEBI:33681 + + helium(0) + + + + + CAS:7440-59-7 + ChemIDplus + + + + + PMID:24383961 + Europe PMC + + + + + PMID:24406316 + Europe PMC + + + + + PMID:24430541 + Europe PMC + + + + + PMID:24553240 + Europe PMC + + + + + helium(0) + IUPAC + + + + + + E 939 + ChEBI + + + + + E-939 + ChEBI + + + + + E939 + ChEBI + + + + + He + IUPAC + + + + + [He] + MolBase + + + + + atomic helium + ChemIDplus + + + + + helium + IUPAC + + + + + + + + + The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen. + 0 + [17O] + InChI=1S/O/i1+1 + QVGXLLKOCUKJST-OUBTZVSYSA-N + 16.999 + 16.99913 + [17O] + CAS:13968-48-4 + Gmelin:17561 + oxygen-17 + chebi_ontology + (17)8O + (17)O + oxygen, isotope of mass 17 + oxygen-17 + CHEBI:33819 + + oxygen-17 atom + + + + + CAS:13968-48-4 + ChemIDplus + + + + + Gmelin:17561 + Gmelin + + + + + oxygen-17 + IUPAC + + + + + + (17)8O + IUPAC + + + + + (17)O + IUPAC + + + + + oxygen, isotope of mass 17 + ChemIDplus + + + + + oxygen-17 + ChEBI + + + + + + + + + + An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family. + 0 + C4H9NO + InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 + YNAVUWVOSKDBBP-UHFFFAOYSA-N + 87.122 + 87.06841 + C1COCCN1 + Beilstein:102549 + CAS:110-91-8 + Chemspider:13837537 + DrugBank:DB13669 + FooDB:FDB008207 + Gmelin:1803 + HMDB:HMDB0031581 + KEGG:C14452 + PDBeChem:6LR + PMID:15017096 + PMID:2699898 + PMID:31512284 + PMID:31978684 + PMID:32017384 + PMID:33459557 + Wikipedia:Morpholine + Morpholine + morpholine + chebi_ontology + 1,4-oxazinane + 1-oxa-4-azacyclohexane + diethylene imidoxide + diethylene oximide + diethylenimide oxide + tetrahydro-1,4-oxazine + tetrahydro-p-oxazine + CHEBI:34856 + + morpholine + + + + + Beilstein:102549 + Beilstein + + + + + CAS:110-91-8 + ChemIDplus + + + + + CAS:110-91-8 + KEGG COMPOUND + + + + + CAS:110-91-8 + NIST Chemistry WebBook + + + + + Gmelin:1803 + Gmelin + + + + + PMID:15017096 + Europe PMC + + + + + PMID:2699898 + Europe PMC + + + + + PMID:31512284 + Europe PMC + + + + + PMID:31978684 + Europe PMC + + + + + PMID:32017384 + Europe PMC + + + + + PMID:33459557 + Europe PMC + + + + + Morpholine + KEGG_COMPOUND + + + + + morpholine + IUPAC + + + + + + 1,4-oxazinane + ChEBI + + + + + 1-oxa-4-azacyclohexane + ChemIDplus + + + + + diethylene imidoxide + ChemIDplus + + + + + diethylene oximide + ChemIDplus + + + + + diethylenimide oxide + ChemIDplus + + + + + tetrahydro-1,4-oxazine + KEGG_COMPOUND + + + + + tetrahydro-p-oxazine + ChemIDplus + + + + + + + + + Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds. + mancude-ring systems + chebi_ontology + mancude rings + mancunide-ring systems + CHEBI:35568 + + mancude ring + + + + + mancude-ring systems + IUPAC + + + + + + mancude rings + ChEBI + + + + + mancunide-ring systems + IUPAC + + + + + + + + + Any molecular entity consisting of more than one atom. + chebi_ontology + polyatomic entities + CHEBI:36357 + + polyatomic entity + + + + + polyatomic entities + ChEBI + + + + + + + + + + + + 0 + Cl2Sr + InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2 + AHBGXTDRMVNFER-UHFFFAOYSA-L + 158.52540 + 157.84332 + [Cl-].[Cl-].[Sr++] + CAS:10476-85-4 + Gmelin:463924 + strontium chloride + strontium dichloride + chebi_ontology + SrCl2 + CHEBI:36383 + + strontium dichloride + + + + + CAS:10476-85-4 + ChemIDplus + + + + + CAS:10476-85-4 + NIST Chemistry WebBook + + + + + Gmelin:463924 + Gmelin + + + + + strontium chloride + IUPAC + + + + + + strontium dichloride + IUPAC + + + + + + SrCl2 + IUPAC + + + + + + + + + + A phosphine oxide in which the substituents on phosphorus are three phenyl groups. + 0 + C18H15OP + InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H + FIQMHBFVRAXMOP-UHFFFAOYSA-N + 278.28486 + 278.08605 + O=P(c1ccccc1)(c1ccccc1)c1ccccc1 + CAS:791-28-6 + Gmelin:6758 + PMID:24280613 + PMID:24285309 + Reaxys:745854 + Wikipedia:Triphenylphosphine_oxide + triphenyl-lambda(5)-phosphanone + triphenylphosphane oxide + chebi_ontology + Triphenylphosphanoxid + triphenyl phosphine oxide + triphenyl phosphorus oxide + triphenylphosphanoxide + triphenylphosphine oxide + CHEBI:36601 + + triphenylphosphane oxide + + + + + CAS:791-28-6 + ChemIDplus + + + + + CAS:791-28-6 + NIST Chemistry WebBook + + + + + Gmelin:6758 + Gmelin + + + + + PMID:24280613 + Europe PMC + + + + + PMID:24285309 + Europe PMC + + + + + Reaxys:745854 + Reaxys + + + + + triphenyl-lambda(5)-phosphanone + IUPAC + + + + + + triphenylphosphane oxide + IUPAC + + + + + + Triphenylphosphanoxid + NIST_Chemistry_WebBook + + + + + triphenyl phosphine oxide + ChemIDplus + + + + + triphenyl phosphorus oxide + ChemIDplus + + + + + triphenylphosphanoxide + NIST_Chemistry_WebBook + + + + + triphenylphosphine oxide + ChemIDplus + + + + + + + + + + A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. + 0 + C7H5F3 + InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H + GETTZEONDQJALK-UHFFFAOYSA-N + 146.10980 + 146.03433 + FC(F)(F)c1ccccc1 + CAS:98-08-8 + Gmelin:3670 + PMID:11671431 + PMID:20958547 + PMID:24267073 + PMID:24669762 + Reaxys:1906908 + (trifluoromethyl)benzene + chebi_ontology + C6H5CF3 + CF3Ph + PhCF3 + alpha,alpha,alpha-trifluorotoluene + benzotrifluoride + omega-trifluorotoluene + phenylfluoroform + trifluoromethylbenzene + CHEBI:36810 + + (trifluoromethyl)benzene + + + + + CAS:98-08-8 + ChemIDplus + + + + + CAS:98-08-8 + NIST Chemistry WebBook + + + + + Gmelin:3670 + Gmelin + + + + + PMID:11671431 + Europe PMC + + + + + PMID:20958547 + Europe PMC + + + + + PMID:24267073 + Europe PMC + + + + + PMID:24669762 + Europe PMC + + + + + Reaxys:1906908 + Reaxys + + + + + (trifluoromethyl)benzene + IUPAC + + + + + + C6H5CF3 + ChEBI + + + + + CF3Ph + ChEBI + + + + + PhCF3 + ChEBI + + + + + alpha,alpha,alpha-trifluorotoluene + NIST_Chemistry_WebBook + + + + + benzotrifluoride + ChemIDplus + + + + + omega-trifluorotoluene + NIST_Chemistry_WebBook + + + + + phenylfluoroform + NIST_Chemistry_WebBook + + + + + trifluoromethylbenzene + ChemIDplus + + + + + + + + + 0 + [13C] + InChI=1S/C/i1+1 + OKTJSMMVPCPJKN-OUBTZVSYSA-N + 13.003 + 13.00335 + [13C] + CAS:14762-74-4 + carbon-13 + carbon-13 atom + chebi_ontology + (13)6C + (13)C + carbon, isotope of mass 13 + carbon-13 + CHEBI:36928 + + carbon-13 atom + + + + + CAS:14762-74-4 + ChemIDplus + + + + + carbon-13 + IUPAC + + + + + + carbon-13 atom + ChemIDplus + + + + + (13)6C + IUPAC + + + + + (13)C + IUPAC + + + + + carbon, isotope of mass 13 + ChemIDplus + + + + + carbon-13 + ChEBI + + + + + + + + + The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen. + 0 + [15N] + InChI=1S/N/i1+1 + QJGQUHMNIGDVPM-OUBTZVSYSA-N + 15.000 + 15.00011 + [15N] + CAS:14390-96-6 + nitrogen-15 + chebi_ontology + (15)7N + (15)N + nitrogen, isotope of mass 15 + nitrogen-15 + CHEBI:36934 + + nitrogen-15 atom + + + + + CAS:14390-96-6 + ChemIDplus + + + + + nitrogen-15 + IUPAC + + + + + + (15)7N + IUPAC + + + + + (15)N + IUPAC + + + + + nitrogen, isotope of mass 15 + ChemIDplus + + + + + nitrogen-15 + ChEBI + + + + + + + + + The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen. + 0 + [14N] + InChI=1S/N/i1+0 + QJGQUHMNIGDVPM-IGMARMGPSA-N + 14.003 + 14.00307 + [14N] + nitrogen-14 + chebi_ontology + (14)7N + (14)N + nitrogen-14 + CHEBI:36938 + + nitrogen-14 atom + + + + + nitrogen-14 + IUPAC + + + + + + (14)7N + IUPAC + + + + + (14)N + IUPAC + + + + + nitrogen-14 + ChEBI + + + + + + + + + The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2. + 0 + [19F] + InChI=1S/F/i1+0 + YCKRFDGAMUMZLT-IGMARMGPSA-N + 18.998 + 18.99840 + [19F] + fluorine-19 + chebi_ontology + (19)9F + (19)F + fluorine-19 + CHEBI:36940 + + fluorine-19 atom + + + + + fluorine-19 + IUPAC + + + + + + (19)9F + IUPAC + + + + + (19)F + ChEBI + + + + + fluorine-19 + ChEBI + + + + + + + + + The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2. + 0 + [27Al] + InChI=1S/Al/i1+0 + XAGFODPZIPBFFR-IGMARMGPSA-N + 26.982 + 26.98154 + [27Al] + aluminium-27 + chebi_ontology + (27)13Al + (27)Al + aluminium-27 + aluminum, isotope of mass 27 + aluminum-27 + CHEBI:37968 + + aluminium-27 atom + + + + + aluminium-27 + IUPAC + + + + + + (27)13Al + IUPAC + + + + + (27)Al + IUPAC + + + + + aluminium-27 + ChEBI + + + + + aluminum, isotope of mass 27 + ChEBI + + + + + aluminum-27 + ChEBI + + + + + + + + + The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2. + 0 + [31P] + InChI=1S/P/i1+0 + OAICVXFJPJFONN-IGMARMGPSA-N + 30.974 + 30.97376 + [31P] + phosphorus-31 + chebi_ontology + (31)15P + (31)P + phosphorus-31 + CHEBI:37971 + + phosphorus-31 atom + + + + + phosphorus-31 + IUPAC + + + + + + (31)15P + IUPAC + + + + + (31)P + IUPAC + + + + + phosphorus-31 + ChEBI + + + + + + + + + The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2. + 0 + [29Si] + InChI=1S/Si/i1+1 + XUIMIQQOPSSXEZ-OUBTZVSYSA-N + 28.976 + 28.97649 + [29Si] + silicon-29 + chebi_ontology + (29)14Si + (29)Si + silicon-29 + CHEBI:37974 + + silicon-29 atom + + + + + silicon-29 + IUPAC + + + + + + (29)14Si + IUPAC + + + + + (29)Si + IUPAC + + + + + silicon-29 + ChEBI + + + + + + + + + The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2. + 0 + [33S] + InChI=1S/S/i1+1 + NINIDFKCEFEMDL-OUBTZVSYSA-N + 32.971 + 32.97146 + [33S] + CAS:14257-58-0 + sulfur-33 + chebi_ontology + (33)16S + (33)S + sulfur, isotope of mass 33 + sulfur-33 + sulphur-33 + CHEBI:37980 + + sulfur-33 atom + + + + + CAS:14257-58-0 + ChemIDplus + + + + + sulfur-33 + IUPAC + + + + + + (33)16S + IUPAC + + + + + (33)S + IUPAC + + + + + sulfur, isotope of mass 33 + ChemIDplus + + + + + sulfur-33 + ChEBI + + + + + sulphur-33 + ChEBI + + + + + + + + + + A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. + 0 + C2H3N + InChI=1S/C2H3N/c1-2-3/h1H3 + WEVYAHXRMPXWCK-UHFFFAOYSA-N + 41.05196 + 41.02655 + CC#N + CHEBI:22185 + CHEBI:30972 + CHEBI:41432 + Beilstein:741857 + CAS:75-05-8 + Gmelin:895 + PDBeChem:CCN + PMID:17347819 + PMID:19100763 + PMID:20370615 + PMID:985423 + PPDB:1349 + Reaxys:741857 + Wikipedia:Acetonitrile + ACETONITRILE + acetonitrile + chebi_ontology + CH3-C#N + MeCN + NCMe + cyanomethane + ethanenitrile + methyl cyanide + CHEBI:38472 + + acetonitrile + + + + + Beilstein:741857 + Beilstein + + + + + CAS:75-05-8 + ChemIDplus + + + + + CAS:75-05-8 + NIST Chemistry WebBook + + + + + Gmelin:895 + Gmelin + + + + + PMID:17347819 + Europe PMC + + + + + PMID:19100763 + Europe PMC + + + + + PMID:20370615 + Europe PMC + + + + + PMID:985423 + Europe PMC + + + + + Reaxys:741857 + Reaxys + + + + + ACETONITRILE + PDBeChem + + + + + acetonitrile + IUPAC + + + + + + CH3-C#N + IUPAC + + + + + MeCN + IUPAC + + + + + NCMe + ChEBI + + + + + cyanomethane + NIST_Chemistry_WebBook + + + + + ethanenitrile + NIST_Chemistry_WebBook + + + + + methyl cyanide + IUPAC + + + + + + + + + + 0 + C6H4F2 + InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H + QUGUFLJIAFISSW-UHFFFAOYSA-N + 114.09277 + 114.02811 + Fc1ccc(F)cc1 + Beilstein:1904541 + CAS:540-36-3 + Gmelin:142070 + 1,4-difluorobenzene + chebi_ontology + 1,4-Difluorbenzol + p-difluorobenzene + para-difluorobenzene + CHEBI:38585 + + 1,4-difluorobenzene + + + + + Beilstein:1904541 + Beilstein + + + + + CAS:540-36-3 + ChemIDplus + + + + + CAS:540-36-3 + NIST Chemistry WebBook + + + + + Gmelin:142070 + Gmelin + + + + + 1,4-difluorobenzene + IUPAC + + + + + + 1,4-Difluorbenzol + ChEBI + + + + + p-difluorobenzene + ChemIDplus + + + + + para-difluorobenzene + NIST_Chemistry_WebBook + + + + + + + + + + + A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine. + 0 + C6F6 + InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 + ZQBFAOFFOQMSGJ-UHFFFAOYSA-N + 186.05462 + 185.99042 + Fc1c(F)c(F)c(F)c(F)c1F + Beilstein:1683438 + CAS:392-56-3 + Gmelin:101976 + PMID:23869742 + PMID:24050348 + PMID:25416887 + PMID:26910443 + PMID:27043131 + PMID:27133442 + PMID:27557055 + PMID:33582441 + PMID:33938749 + PMID:37272941 + PMID:38193267 + PMID:38221873 + Wikipedia:Hexafluorobenzene + hexafluorobenzene + chebi_ontology + 1,2,3,4,5,6-hexafluorobenzene + Hexafluorbenzol + perfluorobenzene + CHEBI:38589 + + hexafluorobenzene + + + + + + true + + + + + Beilstein:1683438 + Beilstein + + + + + CAS:392-56-3 + ChemIDplus + + + + + CAS:392-56-3 + NIST Chemistry WebBook + + + + + Gmelin:101976 + Gmelin + + + + + PMID:23869742 + Europe PMC + + + + + PMID:24050348 + Europe PMC + + + + + PMID:25416887 + Europe PMC + + + + + PMID:26910443 + Europe PMC + + + + + PMID:27043131 + Europe PMC + + + + + PMID:27133442 + Europe PMC + + + + + PMID:27557055 + Europe PMC + + + + + PMID:33582441 + Europe PMC + + + + + PMID:33938749 + Europe PMC + + + + + PMID:37272941 + Europe PMC + + + + + PMID:38193267 + Europe PMC + + + + + PMID:38221873 + Europe PMC + + + + + hexafluorobenzene + IUPAC + + + + + + 1,2,3,4,5,6-hexafluorobenzene + NIST_Chemistry_WebBook + + + + + Hexafluorbenzol + ChEBI + + + + + perfluorobenzene + ChemIDplus + + + + + + + + + + A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. + 0 + C3F6O + InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9 + VBZWSGALLODQNC-UHFFFAOYSA-N + 166.02192 + 165.98533 + FC(F)(F)C(=O)C(F)(F)F + CAS:684-16-2 + Gmelin:27263 + PMID:22481381 + PMID:24186328 + Patent:CN102964231 + Patent:CN102976908 + Reaxys:607236 + Wikipedia:Hexafluoroacetone + 1,1,1,3,3,3-hexafluoroacetone + chebi_ontology + (CF3)2CO + 1,1,1,3,3,3-hexafluoro-2-propanone + 6FK + hexafluoropropanone + perfluoro-2-propanone + perfluoroacetone + CHEBI:39429 + + hexafluoroacetone + + + + + CAS:684-16-2 + ChemIDplus + + + + + CAS:684-16-2 + NIST Chemistry WebBook + + + + + Gmelin:27263 + Gmelin + + + + + PMID:22481381 + Europe PMC + + + + + PMID:24186328 + Europe PMC + + + + + Reaxys:607236 + Reaxys + + + + + 1,1,1,3,3,3-hexafluoroacetone + IUPAC + + + + + + (CF3)2CO + NIST_Chemistry_WebBook + + + + + 1,1,1,3,3,3-hexafluoro-2-propanone + ChemIDplus + + + + + 6FK + ChemIDplus + + + + + hexafluoropropanone + NIST_Chemistry_WebBook + + + + + perfluoro-2-propanone + ChemIDplus + + + + + perfluoroacetone + ChemIDplus + + + + + + + + + + + + + + 0 + D2O + InChI=1S/H2O/h1H2/i/hD2 + XLYOFNOQVPJJNP-ZSJDYOACSA-N + 20.027 + 20.02312 + [2H]O[2H] + CHEBI:29373 + CHEBI:41979 + CAS:7789-20-0 + Gmelin:97 + MolBase:1647 + PDBeChem:DOD + dideuterium oxide + chebi_ontology + ((2)H2)water + D2O + DEUTERATED WATER + Deuteriumoxid + [OD2] + deuterium oxide + heavy water + schweres Wasser + CHEBI:41981 + + dideuterium oxide + + + + + + true + + + + + CAS:7789-20-0 + ChemIDplus + + + + + CAS:7789-20-0 + NIST Chemistry WebBook + + + + + Gmelin:97 + Gmelin + + + + + dideuterium oxide + IUPAC + + + + + + ((2)H2)water + IUPAC + + + + + D2O + IUPAC + + + + + DEUTERATED WATER + PDBeChem + + + + + Deuteriumoxid + ChEBI + + + + + [OD2] + MolBase + + + + + deuterium oxide + ChemIDplus + + + + + heavy water + NIST_Chemistry_WebBook + + + + + schweres Wasser + ChEBI + + + + + + + + + + A monocarboxylic acid that is the trifluoro derivative of acetic acid. + 0 + C2HF3O2 + InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) + DTQVDTLACAAQTR-UHFFFAOYSA-N + 114.02335 + 113.99286 + OC(=O)C(F)(F)F + CHEBI:27111 + CAS:76-05-1 + Gmelin:2729 + HMDB:HMDB0014118 + PMID:11498800 + PMID:7696372 + Reaxys:742035 + Wikipedia:Trifluoroacetic_acid + trifluoroacetic acid + chebi_ontology + CF3COOH + TFA + Trifluoressigsaeure + acide trifluoroacetique + perfluoroacetic acid + CHEBI:45892 + + trifluoroacetic acid + + + + + CAS:76-05-1 + ChemIDplus + + + + + CAS:76-05-1 + NIST Chemistry WebBook + + + + + Gmelin:2729 + Gmelin + + + + + PMID:11498800 + Europe PMC + + + + + PMID:7696372 + Europe PMC + + + + + Reaxys:742035 + Reaxys + + + + + trifluoroacetic acid + IUPAC + + + + + + CF3COOH + NIST_Chemistry_WebBook + + + + + TFA + ChEBI + + + + + Trifluoressigsaeure + ChEBI + + + + + acide trifluoroacetique + ChEBI + + + + + perfluoroacetic acid + NIST_Chemistry_WebBook + + + + + + + + + + An organoselenium compound of two methyl groups covalently bound to a selenium. + 0 + C2H6Se + InChI=1S/C2H6Se/c1-3-2/h1-2H3 + RVIXKDRPFPUUOO-UHFFFAOYSA-N + 109.03000 + 109.96347 + C[Se]C + CAS:593-79-3 + HMDB:HMDB0033212 + KEGG:C02535 + MetaCyc:CPD-12005 + PMID:15150252 + PMID:15233545 + PMID:1652783 + PMID:20152423 + PMID:21069149 + PMID:23454698 + PMID:23590617 + PMID:24241025 + PMID:4851946 + PMID:5079352 + PMID:8179331 + Reaxys:1696848 + (methylselanyl)methane + dimethyl selenide + chebi_ontology + (CH3)2Se + Dimethylselenium + Methyl selenide + Methyl selenium + Selenium dimethyl + Selenobismethane + CHEBI:4610 + + dimethylselenide + + + + + CAS:593-79-3 + ChemIDplus + + + + + CAS:593-79-3 + KEGG COMPOUND + + + + + CAS:593-79-3 + NIST Chemistry WebBook + + + + + PMID:15150252 + Europe PMC + + + + + PMID:15233545 + Europe PMC + + + + + PMID:1652783 + Europe PMC + + + + + PMID:20152423 + Europe PMC + + + + + PMID:21069149 + Europe PMC + + + + + PMID:23454698 + Europe PMC + + + + + PMID:23590617 + Europe PMC + + + + + PMID:24241025 + Europe PMC + + + + + PMID:4851946 + Europe PMC + + + + + PMID:5079352 + Europe PMC + + + + + PMID:8179331 + Europe PMC + + + + + Reaxys:1696848 + Reaxys + + + + + (methylselanyl)methane + IUPAC + + + + + + dimethyl selenide + IUPAC + + + + + + (CH3)2Se + NIST_Chemistry_WebBook + + + + + Dimethylselenium + ChemIDplus + + + + + Methyl selenide + ChemIDplus + + + + + Methyl selenium + ChemIDplus + + + + + Selenium dimethyl + NIST_Chemistry_WebBook + + + + + Selenobismethane + HMDB + + + + + + + + + + + An organotellurium compound in which the tellurium atom is covalently bonded to two methyl groups. A xenobiotic metabolite produced by certain strains of bacteria exposed to tellurium containing compounds. + 0 + C2H6Te + InChI=1S/C2H6Te/c1-3-2/h1-2H3 + YMUZFVVKDBZHGP-UHFFFAOYSA-N + 157.66904 + 159.95317 + C[Te]C + CAS:593-80-6 + Gmelin:1480 + KEGG:C02677 + PMID:5079352 + PMID:9096851 + Reaxys:1696849 + Wikipedia:Dimethyl_telluride + Dimethyl telluride + dimethyl telluride + dimethyltellane + dimethyltellurium + chebi_ontology + Dimethyltelluride + TeMe2 + CHEBI:4613 + + dimethyl telluride + + + + + CAS:593-80-6 + ChemIDplus + + + + + CAS:593-80-6 + KEGG COMPOUND + + + + + CAS:593-80-6 + NIST Chemistry WebBook + + + + + Gmelin:1480 + Gmelin + + + + + PMID:5079352 + Europe PMC + + + + + PMID:9096851 + Europe PMC + + + + + Reaxys:1696849 + Reaxys + + + + + Dimethyl telluride + KEGG_COMPOUND + + + + + dimethyl telluride + IUPAC + + + + + + dimethyltellane + IUPAC + + + + + + dimethyltellurium + IUPAC + + + + + + Dimethyltelluride + NIST_Chemistry_WebBook + + + + + TeMe2 + IUPAC + + + + + + + + + + + A trialkyl phosphate that is the trimethyl ester of phosphoric acid. + 0 + C3H9O4P + InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 + WVLBCYQITXONBZ-UHFFFAOYSA-N + 140.07492 + 140.02385 + COP(=O)(OC)OC + CAS:512-56-1 + Gmelin:49926 + PDBeChem:TZZ + PMID:17083219 + PMID:18409209 + Reaxys:1071731 + Wikipedia:Trimethyl_phosphate + TRIMETHYL PHOSPHATE + trimethyl phosphate + chebi_ontology + O,O,O-Trimethyl phosphate + Phosphoric acid, trimethyl ester + TMP + TMPA + TMPO + Trimethoxyphosphine oxide + Trimethyl orthophosphate + CHEBI:46324 + + trimethyl phosphate + + + + + CAS:512-56-1 + ChemIDplus + + + + + CAS:512-56-1 + NIST Chemistry WebBook + + + + + Gmelin:49926 + Gmelin + + + + + PMID:17083219 + Europe PMC + + + + + PMID:18409209 + Europe PMC + + + + + Reaxys:1071731 + Reaxys + + + + + TRIMETHYL PHOSPHATE + PDBeChem + + + + + trimethyl phosphate + IUPAC + + + + + + O,O,O-Trimethyl phosphate + ChemIDplus + + + + + Phosphoric acid, trimethyl ester + ChemIDplus + + + + + TMP + ChemIDplus + + + + + TMPA + ChemIDplus + + + + + TMPO + ChemIDplus + + + + + Trimethoxyphosphine oxide + ChemIDplus + + + + + Trimethyl orthophosphate + ChemIDplus + + + + + + + + + + A dioxane with oxygen atoms at positions 1 and 4. + 0 + C4H8O2 + InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 + RYHBNJHYFVUHQT-UHFFFAOYSA-N + 88.10512 + 88.05243 + C1COCCO1 + CHEBI:34064 + CHEBI:41951 + CHEBI:46925 + CAS:123-91-1 + DrugBank:DB03316 + KEGG:C14440 + LINCS:LSM-37087 + PDBeChem:DIO + PMID:14550759 + PMID:18044507 + PMID:20598439 + PPDB:1638 + Reaxys:102551 + Wikipedia:1,4-Dioxane + 1,4-Dioxane + 1,4-dioxane + chebi_ontology + 1,4-DIETHYLENE DIOXIDE + 1,4-Dioxan + 1,4-dioxacyclohexane + Dioxan-1,4 + di(ethylene oxide) + dioxane-1,4 + glycol ethylene ether + p-Dioxane + tetrahydro-1,4-dioxin + tetrahydro-p-dioxin + tetrahydro-para-dioxin + CHEBI:47032 + + 1,4-dioxane + + + + + CAS:123-91-1 + ChemIDplus + + + + + CAS:123-91-1 + KEGG COMPOUND + + + + + CAS:123-91-1 + NIST Chemistry WebBook + + + + + PMID:14550759 + Europe PMC + + + + + PMID:18044507 + Europe PMC + + + + + PMID:20598439 + Europe PMC + + + + + Reaxys:102551 + Reaxys + + + + + 1,4-Dioxane + KEGG_COMPOUND + + + + + 1,4-dioxane + IUPAC + + + + + + 1,4-DIETHYLENE DIOXIDE + PDBeChem + + + + + 1,4-Dioxan + NIST_Chemistry_WebBook + + + + + 1,4-dioxacyclohexane + ChemIDplus + + + + + Dioxan-1,4 + ChemIDplus + + + + + di(ethylene oxide) + ChemIDplus + + + + + dioxane-1,4 + ChemIDplus + + + + + glycol ethylene ether + ChemIDplus + + + + + p-Dioxane + KEGG_COMPOUND + + + + + tetrahydro-1,4-dioxin + NIST_Chemistry_WebBook + + + + + tetrahydro-p-dioxin + ChemIDplus + + + + + tetrahydro-para-dioxin + ChemIDplus + + + + + + + + + + + + A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. + 0 + CCl3F + InChI=1S/CCl3F/c2-1(3,4)5 + CYRMSUTZVYGINF-UHFFFAOYSA-N + 137.36720 + 135.90496 + FC(Cl)(Cl)Cl + CAS:75-69-4 + PMID:1114326 + PMID:24189105 + PMID:5727092 + PMID:8006631 + Reaxys:1732469 + Wikipedia:Trichlorofluoromethane + trichloro(fluoro)methane + trichlorofluoromethane + chebi_ontology + CFC-11 + Eskimon 11 + Freon 11 + R-11 + Refrigerant 11 + fluorochloroform + fluorotrichloromethane + monofluorotrichloromethane + trichlorofluorocarbon + trichloromonofluoromethane + CHEBI:48236 + + trichlorofluoromethane + + + + + + true + + + + + CAS:75-69-4 + ChemIDplus + + + + + CAS:75-69-4 + NIST Chemistry WebBook + + + + + PMID:1114326 + Europe PMC + + + + + PMID:24189105 + Europe PMC + + + + + PMID:5727092 + Europe PMC + + + + + PMID:8006631 + Europe PMC + + + + + Reaxys:1732469 + Reaxys + + + + + trichloro(fluoro)methane + IUPAC + + + + + + trichlorofluoromethane + ChemIDplus + + + + + CFC-11 + ChemIDplus + + + + + Eskimon 11 + ChemIDplus + + + + + Freon 11 + ChemIDplus + + + + + R-11 + ChemIDplus + + + + + Refrigerant 11 + ChemIDplus + + + + + fluorochloroform + ChemIDplus + + + + + fluorotrichloromethane + NIST_Chemistry_WebBook + + + + + monofluorotrichloromethane + NIST_Chemistry_WebBook + + + + + trichlorofluorocarbon + ChemIDplus + + + + + trichloromonofluoromethane + ChemIDplus + + + + + + + + + + + + + A metal chloride salt with a Li(+) counterion. + 0 + ClLi + InChI=1S/ClH.Li/h1H;/q;+1/p-1 + KWGKDLIKAYFUFQ-UHFFFAOYSA-M + 42.39370 + 41.98486 + [Li+].[Cl-] + CAS:7447-41-8 + PMID:21301855 + PMID:24398558 + lithium chloride + chebi_ontology + LiCl + Lithiumchlorid + chlorure de lithium + cloruro de litio + lithii chloridum + CHEBI:48607 + + lithium chloride + + + + + CAS:7447-41-8 + ChemIDplus + + + + + CAS:7447-41-8 + NIST Chemistry WebBook + + + + + PMID:21301855 + Europe PMC + + + + + PMID:24398558 + Europe PMC + + + + + lithium chloride + IUPAC + + + + + + LiCl + IUPAC + + + + + Lithiumchlorid + ChEBI + + + + + chlorure de lithium + NIST_Chemistry_WebBook + + + + + cloruro de litio + ChEBI + + + + + lithii chloridum + ChEBI + + + + + + + + + + + 0 + Kr + InChI=1S/Kr + DNNSSWSSYDEUBZ-UHFFFAOYSA-N + 83.80000 + 83.91150 + [Kr] + CHEBI:33312 + CAS:7439-90-9 + WebElements:Kr + krypton + chebi_ontology + 36Kr + Kr + cripton + kripton + krypton + CHEBI:49696 + + krypton atom + + + + + CAS:7439-90-9 + ChemIDplus + + + + + CAS:7439-90-9 + NIST Chemistry WebBook + + + + + krypton + IUPAC + + + + + + 36Kr + IUPAC + + + + + Kr + IUPAC + + + + + cripton + ChEBI + + + + + kripton + ChEBI + + + + + krypton + ChEBI + + + + + + + + + A role played by the molecular entity or part thereof within a chemical context. + chebi_ontology + CHEBI:51086 + + chemical role + + + + + + + + + + The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent. + 0 + C6H5F + InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H + PYLWMHQQBFSUBP-UHFFFAOYSA-N + 96.10230 + 96.03753 + Fc1ccccc1 + CAS:462-06-6 + Gmelin:49856 + KEGG:C11272 + PMID:22976426 + PMID:24060903 + Patent:CN101224914 + Patent:US4390740 + Reaxys:1236623 + Wikipedia:Fluorobenzene + fluorobenzene + monofluorobenzene + chebi_ontology + Fluorbenzol + Fluorobenzene + phenyl fluoride + CHEBI:5115 + + monofluorobenzene + + + + + CAS:462-06-6 + ChemIDplus + + + + + CAS:462-06-6 + KEGG COMPOUND + + + + + CAS:462-06-6 + NIST Chemistry WebBook + + + + + Gmelin:49856 + Gmelin + + + + + PMID:22976426 + Europe PMC + + + + + PMID:24060903 + Europe PMC + + + + + Reaxys:1236623 + Reaxys + + + + + fluorobenzene + IUPAC + + + + + + monofluorobenzene + NIST_Chemistry_WebBook + + + + + Fluorbenzol + ChEBI + + + + + Fluorobenzene + KEGG_COMPOUND + + + + + phenyl fluoride + NIST_Chemistry_WebBook + + + + + + + + + The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2. + 0 + [119Sn] + InChI=1S/Sn/i1+0 + ATJFFYVFTNAWJD-IGMARMGPSA-N + 118.903 + 118.90331 + [119Sn] + tin-119 + chebi_ontology + (119)50Sn + (119)Sn + tin-119 + CHEBI:52230 + + tin-119 atom + + + + + tin-119 + IUPAC + + + + + + (119)50Sn + IUPAC + + + + + (119)Sn + IUPAC + + + + + tin-119 + ChEBI + + + + + + + + + The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2. + 0 + [117Sn] + InChI=1S/Sn/i1-2 + ATJFFYVFTNAWJD-YPZZEJLDSA-N + 116.903 + 116.90295 + [117Sn] + tin-117 + chebi_ontology + (117)50Sn + (117)Sn + tin-117 + CHEBI:52234 + + tin-117 atom + + + + + tin-117 + IUPAC + + + + + + (117)50Sn + IUPAC + + + + + (117)Sn + IUPAC + + + + + tin-117 + ChEBI + + + + + + + + + The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2. + 0 + [115Sn] + InChI=1S/Sn/i1-4 + ATJFFYVFTNAWJD-AHCXROLUSA-N + 114.903 + 114.90334 + [115Sn] + tin-115 + chebi_ontology + (115)50Sn + (115)Sn + tin-115 + CHEBI:52235 + + tin-115 atom + + + + + tin-115 + IUPAC + + + + + + (115)50Sn + IUPAC + + + + + (115)Sn + IUPAC + + + + + tin-115 + ChEBI + + + + + + + + + The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2. + 0 + [125Te] + InChI=1S/Te/i1-3 + PORWMNRCUJJQNO-OIOBTWANSA-N + 124.904 + 124.90443 + [125Te] + tellurium-125 + chebi_ontology + (125)52Te + (125)Te + tellurium-125 + CHEBI:52452 + + tellurium-125 atom + + + + + tellurium-125 + IUPAC + + + + + + (125)52Te + IUPAC + + + + + (125)Te + IUPAC + + + + + tellurium-125 + ChEBI + + + + + + + + + + + The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2. + 0 + [129Xe] + InChI=1S/Xe/i1-2 + FHNFHKCVQCLJFQ-YPZZEJLDSA-N + 128.905 + 128.90478 + [129Xe] + xenon-129 + chebi_ontology + (129)54Xe + (129)Xe + xenon-129 + CHEBI:52453 + + xenon-129 atom + + + + + xenon-129 + IUPAC + + + + + + (129)54Xe + IUPAC + + + + + (129)Xe + IUPAC + + + + + xenon-129 + ChEBI + + + + + + + + + A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2. + 0 + [77Se] + InChI=1S/Se/i1-2 + BUGBHKTXTAQXES-YPZZEJLDSA-N + 76.920 + 76.91991 + [77Se] + Chemspider:9507361 + PMID:16158304 + PMID:23159557 + PMID:25848959 + PMID:25923042 + PMID:27129100 + PMID:30828921 + PMID:32453871 + PMID:34153173 + ((77)Se)selenium + chebi_ontology + (77)34Se + (77)Se + Se-77 + selenium, isotope of mass 77 + selenium-(77)Se + selenium-77 + CHEBI:52457 + + selenium-77 atom + + + + + PMID:16158304 + Europe PMC + + + + + PMID:23159557 + Europe PMC + + + + + PMID:25848959 + Europe PMC + + + + + PMID:25923042 + Europe PMC + + + + + PMID:27129100 + Europe PMC + + + + + PMID:30828921 + Europe PMC + + + + + PMID:32453871 + Europe PMC + + + + + PMID:34153173 + Europe PMC + + + + + ((77)Se)selenium + IUPAC + + + + + + (77)34Se + IUPAC + + + + + (77)Se + IUPAC + + + + + Se-77 + ChEBI + + + + + selenium, isotope of mass 77 + ChEBI + + + + + selenium-(77)Se + ChEBI + + + + + selenium-77 + ChEBI + + + + + + + + + The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2. + 0 + [7Li] + InChI=1S/Li/i1+0 + WHXSMMKQMYFTQS-IGMARMGPSA-N + 7.016 + 7.01600 + [7Li] + lithium-7 + chebi_ontology + (7)3Li + (7)Li + lithium-7 + CHEBI:52458 + + lithium-7 atom + + + + + lithium-7 + IUPAC + + + + + + (7)3Li + IUPAC + + + + + (7)Li + IUPAC + + + + + lithium-7 + ChEBI + + + + + + + + + The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2. + 0 + [87Rb] + InChI=1S/Rb/i1+2 + IGLNJRXAVVLDKE-NJFSPNSNSA-N + 86.909 + 86.90918 + [87Rb] + rubidium-87 + chebi_ontology + (87)37Rb + (87)Rb + rubidium-87 + CHEBI:52459 + + rubidium-87 atom + + + + + rubidium-87 + IUPAC + + + + + + (87)37Rb + IUPAC + + + + + (87)Rb + IUPAC + + + + + rubidium-87 + ChEBI + + + + + + + + + The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2. + 0 + [93Nb] + InChI=1S/Nb/i1+0 + GUCVJGMIXFAOAE-IGMARMGPSA-N + 92.906 + 92.90637 + [93Nb] + niobium-93 + chebi_ontology + (93)41Nb + (93)Nb + niobium-93 + CHEBI:52460 + + niobium-93 atom + + + + + niobium-93 + IUPAC + + + + + + (93)41Nb + IUPAC + + + + + (93)Nb + IUPAC + + + + + niobium-93 + ChEBI + + + + + + + + + The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2. + 0 + [183W] + InChI=1S/W/i1-1 + WFKWXMTUELFFGS-BJUDXGSMSA-N + 182.950 + 182.95022 + [183W] + tungsten-183 + chebi_ontology + (183)74W + (183)W + CHEBI:52462 + + tungsten-183 + + + + + tungsten-183 + IUPAC + + + + + + (183)74W + IUPAC + + + + + (183)W + IUPAC + + + + + + + + + The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2. + 0 + [111Cd] + InChI=1S/Cd/i1-1 + BDOSMKKIYDKNTQ-BJUDXGSMSA-N + 110.904 + 110.90418 + [111Cd] + cadmium-111 + chebi_ontology + (111)48Cd + (111)Cd + CHEBI:52619 + + cadmium-111 + + + + + cadmium-111 + IUPAC + + + + + + (111)48Cd + IUPAC + + + + + (111)Cd + IUPAC + + + + + + + + + The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2. + 0 + [113Cd] + InChI=1S/Cd/i1+1 + BDOSMKKIYDKNTQ-OUBTZVSYSA-N + 112.904 + 112.90441 + [113Cd] + cadmium-113 + chebi_ontology + (113)48Cd + (113)Cd + CHEBI:52620 + + cadmium-113 + + + + + cadmium-113 + IUPAC + + + + + + (113)48Cd + IUPAC + + + + + (113)Cd + IUPAC + + + + + + + + + The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1. + 0 + [6Li] + InChI=1S/Li/i1-1 + WHXSMMKQMYFTQS-BJUDXGSMSA-N + 6.015 + 6.01512 + [6Li] + lithium-6 + chebi_ontology + (6)3Li + (6)Li + lithium-6 + CHEBI:52621 + + lithium-6 atom + + + + + lithium-6 + IUPAC + + + + + + (6)3Li + IUPAC + + + + + (6)Li + IUPAC + + + + + lithium-6 + ChEBI + + + + + + + + + The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2. + 0 + [89Y] + InChI=1S/Y/i1+0 + VWQVUPCCIRVNHF-IGMARMGPSA-N + 88.906 + 88.90584 + [89Y] + yttrium-89 + chebi_ontology + (89)39Y + (89)Y + yttrium-89 + CHEBI:52622 + + yttrium-89 atom + + + + + yttrium-89 + IUPAC + + + + + + (89)39Y + IUPAC + + + + + (89)Y + IUPAC + + + + + yttrium-89 + ChEBI + + + + + + + + + The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2. + 0 + [57Fe] + InChI=1S/Fe/i1+1 + XEEYBQQBJWHFJM-OUBTZVSYSA-N + 56.935 + 56.93539 + [57Fe] + iron-57 + chebi_ontology + (57)26Fe + (57)Fe + CHEBI:52623 + + iron-57 atom + + + + + iron-57 + IUPAC + + + + + + (57)26Fe + IUPAC + + + + + (57)Fe + IUPAC + + + + + + + + + + The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2. + 0 + [121Sb] + InChI=1S/Sb/i1-1 + WATWJIUSRGPENY-BJUDXGSMSA-N + 120.904 + 120.90381 + [121Sb] + antimony-121 + chebi_ontology + (121)51Sb + (121)Sb + antimony-121 + CHEBI:52624 + + antimony-121 atom + + + + + antimony-121 + IUPAC + + + + + + (121)51Sb + IUPAC + + + + + (121)Sb + IUPAC + + + + + antimony-121 + ChEBI + + + + + + + + + + The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2. + 0 + [123Sb] + InChI=1S/Sb/i1+1 + WATWJIUSRGPENY-OUBTZVSYSA-N + 122.904 + 122.90421 + [123Sb] + antimony-123 + chebi_ontology + (123)51Sb + (123)Sb + antimony-123 + CHEBI:52626 + + antimony-123 atom + + + + + antimony-123 + IUPAC + + + + + + (123)51Sb + IUPAC + + + + + (123)Sb + IUPAC + + + + + antimony-123 + ChEBI + + + + + + + + + The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2. + 0 + [139La] + InChI=1S/La/i1+0 + FZLIPJUXYLNCLC-IGMARMGPSA-N + 138.906 + 138.90636 + [139La] + lanthanum-139 + chebi_ontology + (139)57La + (139)La + lanthanum-139 + CHEBI:52627 + + lanthanum-139 atom + + + + + lanthanum-139 + IUPAC + + + + + + (139)57La + IUPAC + + + + + (139)La + IUPAC + + + + + lanthanum-139 + ChEBI + + + + + + + + + The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2. + 0 + [127I] + InChI=1S/I/i1+0 + ZCYVEMRRCGMTRW-IGMARMGPSA-N + 126.904 + 126.90447 + [127I] + iodine-127 + chebi_ontology + (127)53I + (127)I + iodine-127 + CHEBI:52631 + + iodine-127 atom + + + + + iodine-127 + IUPAC + + + + + + (127)53I + IUPAC + + + + + (127)I + IUPAC + + + + + iodine-127 + ChEBI + + + + + + + + + The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2. + 0 + [39K] + InChI=1S/K/i1+0 + ZLMJMSJWJFRBEC-IGMARMGPSA-N + 38.964 + 38.96371 + [39K] + potassium-39 + chebi_ontology + (39)19K + (39)K + potassium-39 + CHEBI:52632 + + potassium-39 atom + + + + + potassium-39 + IUPAC + + + + + + (39)19K + IUPAC + + + + + (39)K + IUPAC + + + + + potassium-39 + ChEBI + + + + + + + + + The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2. + 0 + [95Mo] + InChI=1S/Mo/i1-1 + ZOKXTWBITQBERF-BJUDXGSMSA-N + 94.906 + 94.90584 + [95Mo] + molybdenum-95 + chebi_ontology + (95)42Mo + (95)Mo + CHEBI:52633 + + molybdenum-95 + + + + + molybdenum-95 + IUPAC + + + + + + (95)42Mo + IUPAC + + + + + (95)Mo + IUPAC + + + + + + + + + The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2. + 0 + [23Na] + InChI=1S/Na/i1+0 + KEAYESYHFKHZAL-IGMARMGPSA-N + 22.990 + 22.98977 + [23Na] + sodium-23 + chebi_ontology + (23)11Na + (23)Na + sodium-23 + CHEBI:52634 + + sodium-23 atom + + + + + sodium-23 + IUPAC + + + + + + (23)11Na + IUPAC + + + + + (23)Na + IUPAC + + + + + sodium-23 + ChEBI + + + + + + + + + The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2. + 0 + [45Sc] + InChI=1S/Sc/i1+0 + SIXSYDAISGFNSX-IGMARMGPSA-N + 44.956 + 44.95591 + [45Sc] + scandium-45 + chebi_ontology + (45)21Sc + (45)Sc + scandium-45 + CHEBI:52635 + + scandium-45 atom + + + + + scandium-45 + IUPAC + + + + + + (45)21Sc + IUPAC + + + + + (45)Sc + IUPAC + + + + + scandium-45 + ChEBI + + + + + + + + + The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2. + 0 + [79Br] + InChI=1S/Br/i1-1 + WKBOTKDWSSQWDR-BJUDXGSMSA-N + 78.918 + 78.91834 + [79Br] + chebi_ontology + (79)35Br + (79)Br + bromine-79 + CHEBI:52743 + + bromine-79 atom + + + + + (79)35Br + IUPAC + + + + + (79)Br + IUPAC + + + + + bromine-79 + ChEBI + + + + + + + + + The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2. + 0 + [73Ge] + InChI=1S/Ge/i1+0 + GNPVGFCGXDBREM-IGMARMGPSA-N + 72.923 + 72.92346 + [73Ge] + chebi_ontology + (73)32Ge + (73)Ge + germanium-73 + CHEBI:52758 + + germanium-73 atom + + + + + (73)32Ge + IUPAC + + + + + (73)Ge + IUPAC + + + + + germanium-73 + ChEBI + + + + + + + + + The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2. + 0 + [25Mg] + InChI=1S/Mg/i1+1 + FYYHWMGAXLPEAU-OUBTZVSYSA-N + 24.986 + 24.98584 + [25Mg] + chebi_ontology + (25)12Mg + (25)Mg + magnesium-25 + CHEBI:52763 + + magnesium-25 atom + + + + + (25)12Mg + IUPAC + + + + + (25)Mg + IUPAC + + + + + magnesium-25 + ChEBI + + + + + + + + + + + + A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1. + 0 + BeO4S + InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 + KQHXBDOEECKORE-UHFFFAOYSA-L + 105.07500 + 104.96391 + [Be++].[O-]S([O-])(=O)=O + CAS:13510-49-1 + Gmelin:8296 + PMID:11207315 + PMID:11423174 + PMID:11678613 + PMID:11897645 + PMID:16951350 + PMID:18250483 + PMID:18768897 + PMID:20549306 + PMID:2179717 + PMID:2469014 + PMID:2930060 + PMID:2954196 + PMID:3498695 + PMID:3764912 + PMID:3824419 + PMID:7122994 + PMID:8991630 + Patent:US4316840 + Patent:US4394524 + Patent:US5436364 + Reaxys:13316867 + Wikipedia:Beryllium_sulfate + Beryllium sulfate + beryllium sulfate + chebi_ontology + BeSO4 + Beryllium sulphate + beryllium(II) sulfate + CHEBI:53473 + + beryllium sulfate + + + + + CAS:13510-49-1 + ChemIDplus + + + + + CAS:13510-49-1 + NIST Chemistry WebBook + + + + + Gmelin:8296 + Gmelin + + + + + PMID:11207315 + Europe PMC + + + + + PMID:11423174 + Europe PMC + + + + + PMID:11678613 + Europe PMC + + + + + PMID:11897645 + Europe PMC + + + + + PMID:16951350 + Europe PMC + + + + + PMID:18250483 + Europe PMC + + + + + PMID:18768897 + Europe PMC + + + + + PMID:20549306 + Europe PMC + + + + + PMID:2179717 + Europe PMC + + + + + PMID:2469014 + Europe PMC + + + + + PMID:2930060 + Europe PMC + + + + + PMID:2954196 + Europe PMC + + + + + PMID:3498695 + Europe PMC + + + + + PMID:3764912 + Europe PMC + + + + + PMID:3824419 + Europe PMC + + + + + PMID:7122994 + Europe PMC + + + + + PMID:8991630 + Europe PMC + + + + + Reaxys:13316867 + Reaxys + + + + + Beryllium sulfate + ChemIDplus + + + + + beryllium sulfate + IUPAC + + + + + + BeSO4 + NIST_Chemistry_WebBook + + + + + Beryllium sulphate + ChemIDplus + + + + + beryllium(II) sulfate + ChEBI + + + + + + + + + + The bromide salt of tetramethylammonium. + 0 + C4H12BrN + InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 + DDFYFBUWEBINLX-UHFFFAOYSA-M + 154.04900 + 153.01531 + [Br-].C[N+](C)(C)C + CAS:64-20-0 + PMID:24804652 + PMID:6196640 + Reaxys:3620955 + N,N,N-trimethylmethanaminium bromide + chebi_ontology + TMAB + CHEBI:55317 + + tetramethylammonium bromide + + + + + CAS:64-20-0 + ChemIDplus + + + + + CAS:64-20-0 + NIST Chemistry WebBook + + + + + PMID:24804652 + Europe PMC + + + + + PMID:6196640 + Europe PMC + + + + + Reaxys:3620955 + Reaxys + + + + + N,N,N-trimethylmethanaminium bromide + IUPAC + + + + + + TMAB + NIST_Chemistry_WebBook + + + + + + + + + + + + An inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-) anions. + 0 + Cl6Na2Pt + InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6 + QGFSULIVEYGQQY-UHFFFAOYSA-H + 453.78200 + 450.75745 + [Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl + CAS:16923-58-3 + PMID:2936374 + PMID:6541706 + Reaxys:11322243 + Wikipedia:Sodium_hexachloroplatinate + sodium hexachloridoplatinate(2-) + sodium hexachloridoplatinate(IV) + chebi_ontology + Disodium hexachloroplatinate + CHEBI:59606 + + sodium hexachloroplatinate + + + + + CAS:16923-58-3 + ChemIDplus + + + + + PMID:2936374 + Europe PMC + + + + + PMID:6541706 + Europe PMC + + + + + Reaxys:11322243 + Reaxys + + + + + sodium hexachloridoplatinate(2-) + IUPAC + + + + + + sodium hexachloridoplatinate(IV) + IUPAC + + + + + + Disodium hexachloroplatinate + ChemIDplus + + + + + + + + + A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types. + chebi_ontology + Chemische Substanz + CHEBI:59999 + + chemical substance + + + + + Chemische Substanz + ChEBI + + + + + + + + + + + + An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils. + 0 + H8N2O4S + InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4) + BFNBIHQBYMNNAN-UHFFFAOYSA-N + 132.14000 + 132.02048 + [NH4+].[NH4+].[O-]S([O-])(=O)=O + CAS:7783-20-2 + KEGG:D08853 + MetaCyc:NH42SO4 + PMID:20556652 + PPDB:36 + Reaxys:11343144 + Wikipedia:Ammonium_sulfate + diazanium sulfate + chebi_ontology + (NH4)2SO4 + ammonium sulfate (2:1) + ammonium sulphate + diammonium sulfate + mascagnite + sulfuric acid ammonium salt (1:2) + sulfuric acid, diammonium salt + sulphate of ammonia + CHEBI:62946 + + ammonium sulfate + + + + + CAS:7783-20-2 + ChemIDplus + + + + + CAS:7783-20-2 + KEGG DRUG + + + + + PMID:20556652 + Europe PMC + + + + + Reaxys:11343144 + Reaxys + + + + + diazanium sulfate + IUPAC + + + + + + (NH4)2SO4 + ChEBI + + + + + ammonium sulfate (2:1) + ChemIDplus + + + + + ammonium sulphate + SUBMITTER + + + + + diammonium sulfate + IUPAC + + + + + mascagnite + ChemIDplus + + + + + sulfuric acid ammonium salt (1:2) + ChemIDplus + + + + + sulfuric acid, diammonium salt + ChemIDplus + + + + + sulphate of ammonia + ChEBI + + + + + + + + + + + + + An inorganic sodium salt having bromide as the counterion. + 0 + BrNa + InChI=1S/BrH.Na/h1H;/q;+1/p-1 + JHJLBTNAGRQEKS-UHFFFAOYSA-M + 102.89400 + 101.90811 + [Na+].[Br-] + CAS:7647-15-6 + Wikipedia:Sodium_bromide + chebi_ontology + Bromide salt of sodium + Bromnatrium + NaBr + Trisodium tribromide + CHEBI:63004 + + sodium bromide + + + + + CAS:7647-15-6 + ChemIDplus + + + + + CAS:7647-15-6 + NIST Chemistry WebBook + + + + + Bromide salt of sodium + ChemIDplus + + + + + Bromnatrium + ChemIDplus + + + + + NaBr + SUBMITTER + + + + + Trisodium tribromide + ChemIDplus + + + + + + + + + + + The inorganic nitrate salt of sodium. + 0 + NNaO3 + InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1 + VWDWKYIASSYTQR-UHFFFAOYSA-N + 84.99470 + 84.97759 + [Na+].[O-][N+]([O-])=O + CAS:7631-99-4 + Reaxys:11343077 + Wikipedia:Sodium_nitrate + sodium nitrate + sodium trioxidonitrate(1-) + chebi_ontology + Chile saltpeter + Cubic niter + Niter + Nitrate de sodium + Nitrate of soda + Nitric acid monosodium salt + Nitric acid sodium salt (1:1) + Nitric acid, sodium salt + Sodium saltpeter + Sodium(I) nitrate (1:1) + CHEBI:63005 + + sodium nitrate + + + + + CAS:7631-99-4 + ChemIDplus + + + + + Reaxys:11343077 + Reaxys + + + + + sodium nitrate + IUPAC + + + + + + sodium trioxidonitrate(1-) + IUPAC + + + + + + Chile saltpeter + SUBMITTER + + + + + Cubic niter + ChemIDplus + + + + + Niter + ChemIDplus + + + + + Nitrate de sodium + ChemIDplus + + + + + Nitrate of soda + ChemIDplus + + + + + Nitrate of soda + SUBMITTER + + + + + Nitric acid monosodium salt + ChemIDplus + + + + + Nitric acid sodium salt (1:1) + ChemIDplus + + + + + Nitric acid, sodium salt + ChemIDplus + + + + + Sodium saltpeter + ChemIDplus + + + + + Sodium(I) nitrate (1:1) + ChemIDplus + + + + + + + + + + + + + The inorganic dichloride salt of barium. + 0 + BaCl2 + InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2 + WDIHJSXYQDMJHN-UHFFFAOYSA-L + 208.23300 + 207.84295 + [Cl-].[Cl-].[Ba++] + CAS:10361-37-2 + MetaCyc:CPD0-1592 + PMID:21601246 + Reaxys:1209229 + Reaxys:8128158 + Wikipedia:Barium_chloride + barium dichloride + chebi_ontology + BaCl2 + CHEBI:63317 + + barium chloride + + + + + CAS:10361-37-2 + ChemIDplus + + + + + CAS:10361-37-2 + NIST Chemistry WebBook + + + + + PMID:21601246 + Europe PMC + + + + + Reaxys:1209229 + Reaxys + + + + + Reaxys:8128158 + Reaxys + + + + + barium dichloride + IUPAC + + + + + + BaCl2 + MetaCyc + + + + + + + + + + + + An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones. + 0 + Na2O4W + InChI=1S/2Na.4O.W/q2*+1;;;2*-1; + XMVONEAAOPAGAO-UHFFFAOYSA-N + 293.82000 + 293.91013 + [Na+].[Na+].[O-][W]([O-])(=O)=O + CAS:13472-45-2 + Reaxys:11343345 + Wikipedia:Sodium_tungstate + chebi_ontology + Disodium tetraoxotungstate + Disodium tungstate + Na2WO4 + Sodium tungstate(VI) + Sodium tungsten oxide + Sodium wolframate + Tungstic acid, disodium salt + sodium tetraoxotungstate(VI) + CHEBI:63940 + + sodium tungstate + + + + + CAS:13472-45-2 + ChemIDplus + + + + + Reaxys:11343345 + Reaxys + + + + + Disodium tetraoxotungstate + ChemIDplus + + + + + Disodium tungstate + ChemIDplus + + + + + Na2WO4 + ChEBI + + + + + Sodium tungstate(VI) + ChemIDplus + + + + + Sodium tungsten oxide + ChemIDplus + + + + + Sodium wolframate + ChemIDplus + + + + + Tungstic acid, disodium salt + ChemIDplus + + + + + sodium tetraoxotungstate(VI) + ChEBI + + + + + + + + + + + + + A magnesium salt comprising of two chlorine atoms bound to a magnesium atom. + 0 + Cl2Mg + InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2 + TWRXJAOTZQYOKJ-UHFFFAOYSA-L + 95.21040 + 93.92275 + [Mg++].[Cl-].[Cl-] + CAS:7786-30-3 + Gmelin:9305 + KEGG:C07755 + MolBase:1868 + Reaxys:8128169 + magnesium dichloride + chebi_ontology + Magnesium chloride + Magnesium chloride anhydrous + Magnesiumchlorid + MgCl2 + [MgCl2] + CHEBI:6636 + + magnesium dichloride + + + + + CAS:7786-30-3 + ChemIDplus + + + + + CAS:7786-30-3 + KEGG COMPOUND + + + + + CAS:7786-30-3 + NIST Chemistry WebBook + + + + + Gmelin:9305 + Gmelin + + + + + Reaxys:8128169 + Reaxys + + + + + magnesium dichloride + IUPAC + + + + + + Magnesium chloride + KEGG_COMPOUND + + + + + Magnesium chloride anhydrous + KEGG_COMPOUND + + + + + Magnesiumchlorid + ChEBI + + + + + MgCl2 + IUPAC + + + + + [MgCl2] + MolBase + + + + + + + + + + A fluoride salt having K+ as the counterion. + 0 + FK + InChI=1S/FH.K/h1H;/q;+1/p-1 + NROKBHXJSPEDAR-UHFFFAOYSA-M + 58.09670 + 57.96211 + [F-].[K+] + CAS:7789-23-3 + PMID:21412559 + PMID:21486073 + PMID:21636316 + PMID:21863787 + PMID:22013284 + PMID:22169214 + PMID:22359362 + PMID:22700337 + PMID:22721409 + PMID:22777777 + Reaxys:11339017 + Reaxys:3902818 + Wikipedia:Potassium_fluoride + potassium fluoride + chebi_ontology + Fluorure de potassium + Potassium fluorure + CHEBI:66872 + + potassium fluoride + + + + + CAS:7789-23-3 + ChemIDplus + + + + + CAS:7789-23-3 + NIST Chemistry WebBook + + + + + PMID:21412559 + Europe PMC + + + + + PMID:21486073 + Europe PMC + + + + + PMID:21636316 + Europe PMC + + + + + PMID:21863787 + Europe PMC + + + + + PMID:22013284 + Europe PMC + + + + + PMID:22169214 + Europe PMC + + + + + PMID:22359362 + Europe PMC + + + + + PMID:22700337 + Europe PMC + + + + + PMID:22721409 + Europe PMC + + + + + PMID:22777777 + Europe PMC + + + + + Reaxys:11339017 + Reaxys + + + + + Reaxys:3902818 + Reaxys + + + + + potassium fluoride + IUPAC + + + + + + Fluorure de potassium + ChemIDplus + + + + + Potassium fluorure + ChemIDplus + + + + + + + + + In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra. + chebi_ontology + NMR shift reagents + lanthanide shift reagent + lanthanide shift reagents + nuclear magnetic resonance shift reagent + nuclear magnetic resonance shift reagents + CHEBI:67137 + + NMR shift reagent + + + + + NMR shift reagents + ChEBI + + + + + lanthanide shift reagent + ChEBI + + + + + lanthanide shift reagents + ChEBI + + + + + nuclear magnetic resonance shift reagent + ChEBI + + + + + nuclear magnetic resonance shift reagents + ChEBI + + + + + + + + + + + + + An inorganic sodium salt having molybdate as the counterion. + 0 + MoNa2O4 + InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1 + TVXXNOYZHKPKGW-UHFFFAOYSA-N + 205.92000 + 207.86460 + [Na+].[Na+].[O-][Mo]([O-])(=O)=O + CAS:7631-95-0 + KEGG:C15455 + Reaxys:11323078 + Wikipedia:Sodium_molybdate + sodium dioxido(dioxo)molybdenum + chebi_ontology + Disodium molybdate + Molybdic acid, disodium salt + Na2MoO4 + Natriummolybdat + Sodium molybdate(VI) + disodium tetraoxomolybdate + sodium molybdate + sodium molybdate (anh.) + sodium orthomolybdate + CHEBI:75215 + + sodium molybdate (anhydrous) + + + + + CAS:7631-95-0 + ChemIDplus + + + + + CAS:7631-95-0 + KEGG COMPOUND + + + + + CAS:7631-95-0 + NIST Chemistry WebBook + + + + + Reaxys:11323078 + Reaxys + + + + + sodium dioxido(dioxo)molybdenum + IUPAC + + + + + + Disodium molybdate + ChemIDplus + + + + + Molybdic acid, disodium salt + ChemIDplus + + + + + Na2MoO4 + ChEBI + + + + + Natriummolybdat + ChemIDplus + + + + + Sodium molybdate(VI) + KEGG_COMPOUND + + + + + disodium tetraoxomolybdate + ChEBI + + + + + sodium molybdate + ChEBI + + + + + sodium molybdate (anh.) + ChEBI + + + + + sodium orthomolybdate + ChEBI + + + + + + + + + + + A potassium salt consisting of potassium and chromate ions in a 2:1 ratio. + 0 + CrK2O4 + InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1 + XMXNVYPJWBTAHN-UHFFFAOYSA-N + 194.19030 + 193.84758 + [K+].[K+].[O-][Cr]([O-])(=O)=O + CAS:7789-00-6 + PMID:1372703 + PMID:1858300 + PMID:1897900 + PMID:19577443 + PMID:19839488 + PMID:3947421 + PMID:6771085 + PMID:7073801 + PMID:7395526 + PMID:8692229 + Reaxys:11343356 + Wikipedia:Potassium_chromate + Potassium chromate + dipotassium dioxido(dioxo)chromium + chebi_ontology + Bipotassium chromate + Chromic acid, dipotassium salt + Dipotassium chromate + Dipotassium monochromate + Potassium chromate(VI) + CHEBI:75249 + + potassium chromate + + + + + CAS:7789-00-6 + ChemIDplus + + + + + PMID:1372703 + Europe PMC + + + + + PMID:1858300 + Europe PMC + + + + + PMID:1897900 + Europe PMC + + + + + PMID:19577443 + Europe PMC + + + + + PMID:19839488 + Europe PMC + + + + + PMID:3947421 + Europe PMC + + + + + PMID:6771085 + Europe PMC + + + + + PMID:7073801 + Europe PMC + + + + + PMID:7395526 + Europe PMC + + + + + PMID:8692229 + Europe PMC + + + + + Reaxys:11343356 + Reaxys + + + + + Potassium chromate + ChemIDplus + + + + + dipotassium dioxido(dioxo)chromium + IUPAC + + + + + + Bipotassium chromate + ChemIDplus + + + + + Chromic acid, dipotassium salt + ChemIDplus + + + + + Dipotassium chromate + ChemIDplus + + + + + Dipotassium monochromate + ChemIDplus + + + + + Potassium chromate(VI) + ChemIDplus + + + + + + + + + Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium. + chebi_ontology + (2)H-labeled compound + (2)H-labeled compounds + (2)H-labelled compound + (2)H-labelled compounds + deuterated compounds + deuterium-labeled compound + deuterium-labeled compounds + deuterium-labelled compound + deuterium-labelled compounds + CHEBI:76107 + + deuterated compound + + + + + (2)H-labeled compound + ChEBI + + + + + (2)H-labeled compounds + ChEBI + + + + + (2)H-labelled compound + ChEBI + + + + + (2)H-labelled compounds + ChEBI + + + + + deuterated compounds + ChEBI + + + + + deuterium-labeled compound + ChEBI + + + + + deuterium-labeled compounds + ChEBI + + + + + deuterium-labelled compound + ChEBI + + + + + deuterium-labelled compounds + ChEBI + + + + + + + + + + + + A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. + 0 + CH3NO2 + InChI=1S/CH3NO2/c1-2(3)4/h1H3 + LYGJENNIWJXYER-UHFFFAOYSA-N + 61.04000 + 61.01638 + C[N+]([O-])=O + CAS:75-52-5 + KEGG:C19275 + MetaCyc:CPD-8133 + PMID:11100413 + PMID:21860501 + PMID:26735907 + PMID:26800205 + PMID:4207867 + PMID:999282 + Reaxys:1698205 + Wikipedia:Nitromethane + nitromethane + chebi_ontology + CH3NO2 + MeNO2 + CHEBI:77701 + + nitromethane + + + + + CAS:75-52-5 + ChemIDplus + + + + + CAS:75-52-5 + KEGG COMPOUND + + + + + CAS:75-52-5 + NIST Chemistry WebBook + + + + + PMID:11100413 + Europe PMC + + + + + PMID:21860501 + Europe PMC + + + + + PMID:26735907 + Europe PMC + + + + + PMID:26800205 + Europe PMC + + + + + PMID:4207867 + Europe PMC + + + + + PMID:999282 + Europe PMC + + + + + Reaxys:1698205 + Reaxys + + + + + nitromethane + IUPAC + + + + + + CH3NO2 + ChEBI + + + + + MeNO2 + ChEBI + + + + + + + + + + + + A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. + 0 + C3D6O + InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 + CSCPPACGZOOCGX-WFGJKAKNSA-N + 64.117 + 64.07953 + [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] + CAS:666-52-4 + Reaxys:1702935 + Wikipedia:Deuterated_acetone + ((2)H6)propan-2-one + chebi_ontology + (2H6)Acetone + (CD3)2CO + 2-Propanone-1,1,1,3,3,3-D6 + Acetone-d6 + Perdeuteroacetone + hexadeuteroacetone + CHEBI:78217 + + acetone d6 + + + + + + true + + + + + CAS:666-52-4 + ChemIDplus + + + + + CAS:666-52-4 + NIST Chemistry WebBook + + + + + Reaxys:1702935 + Reaxys + + + + + ((2)H6)propan-2-one + IUPAC + + + + + + (2H6)Acetone + ChemIDplus + + + + + (CD3)2CO + NIST_Chemistry_WebBook + + + + + 2-Propanone-1,1,1,3,3,3-D6 + NIST_Chemistry_WebBook + + + + + Acetone-d6 + ChemIDplus + + + + + Perdeuteroacetone + NIST_Chemistry_WebBook + + + + + hexadeuteroacetone + ChEBI + + + + + + + + + + + + + An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio. + 0 + ClRb + InChI=1S/ClH.Rb/h1H;/q;+1/p-1 + FGDZQCVHDSGLHJ-UHFFFAOYSA-M + 120.92100 + 119.88064 + [Cl-].[Rb+] + CAS:7791-11-9 + PMID:108740 + PMID:1159626 + PMID:1748232 + PMID:2010564 + PMID:3311597 + PMID:3379141 + PMID:349155 + PMID:5436089 + PMID:5561654 + PMID:6206870 + PMID:6705481 + PMID:690649 + PMID:8412574 + PMID:8926857 + Reaxys:3534980 + Reaxys:9321247 + Wikipedia:Rubidium_chloride + rubidium chloride + chebi_ontology + Rubidium monochloride + CHEBI:78672 + + rubidium chloride + + + + + CAS:7791-11-9 + ChemIDplus + + + + + CAS:7791-11-9 + NIST Chemistry WebBook + + + + + PMID:108740 + Europe PMC + + + + + PMID:1159626 + Europe PMC + + + + + PMID:1748232 + Europe PMC + + + + + PMID:2010564 + Europe PMC + + + + + PMID:3311597 + Europe PMC + + + + + PMID:3379141 + Europe PMC + + + + + PMID:349155 + Europe PMC + + + + + PMID:5436089 + Europe PMC + + + + + PMID:5561654 + Europe PMC + + + + + PMID:6206870 + Europe PMC + + + + + PMID:6705481 + Europe PMC + + + + + PMID:690649 + Europe PMC + + + + + PMID:8412574 + Europe PMC + + + + + PMID:8926857 + Europe PMC + + + + + Reaxys:3534980 + Reaxys + + + + + Reaxys:9321247 + Reaxys + + + + + rubidium chloride + IUPAC + + + + + + Rubidium monochloride + ChemIDplus + - + + + + + + + A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals. + 0 + IK + K.I + InChI=1S/HI.K/h1H;/q;+1/p-1 + NLKNQRATVPKPDG-UHFFFAOYSA-M + 166.00277 + 165.86818 + [K+].[I-] + CAS:7681-11-0 + KEGG:C08219 + KEGG:D01016 + PMID:11004629 + PMID:15206581 + PMID:23475155 + PMID:23793210 + PMID:24044784 + PMID:24635765 + PPDB:1529 + Wikipedia:Potassium_Iodide + Potassium iodide + potassium iodide + chebi_ontology + KI + Kaliumiodid + CHEBI:8346 + + potassium iodide + + + + + CAS:7681-11-0 + ChemIDplus + + + + + CAS:7681-11-0 + KEGG COMPOUND + + + + + CAS:7681-11-0 + NIST Chemistry WebBook + + + + + PMID:11004629 + Europe PMC + + + + + PMID:15206581 + Europe PMC + + + + + PMID:23475155 + Europe PMC + + + + + PMID:23793210 + Europe PMC + + + + + PMID:24044784 + Europe PMC + + + + + PMID:24635765 + Europe PMC + + + + + Potassium iodide + KEGG_COMPOUND + + + + + potassium iodide + IUPAC + + + + + + KI + IUPAC + + + + + Kaliumiodid + ChEBI + + + - - - pT2a (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 5 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT2a (lung) - + + + + + + + + + + An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups. + 0 + C4H12Si + InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3 + CZDYPVPMEAXLPK-UHFFFAOYSA-N + 88.22360 + 88.07083 + C[Si](C)(C)C + CAS:75-76-3 + Reaxys:1696908 + tetramethylsilane + chebi_ontology + (CH3)4Si + Me4Si + Si(CH3)4 + SiMe4 + TMS + Tetramethyl silane + Tetramethylsilicane + CHEBI:85361 + + tetramethylsilane + + + + + CAS:75-76-3 + ChemIDplus + + + + + CAS:75-76-3 + NIST Chemistry WebBook + + + + + Reaxys:1696908 + Reaxys + + + + + tetramethylsilane + IUPAC + + + + + + (CH3)4Si + NIST_Chemistry_WebBook + + + + + Me4Si + ChEBI + + + + + Si(CH3)4 + NIST_Chemistry_WebBook + + + + + SiMe4 + ChEBI + + + + + TMS + SUBMITTER + + + + + Tetramethyl silane + ChemIDplus + + + + + Tetramethylsilicane + ChemIDplus + - + + + + + + + + + An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group. + 0 + C6H16O3SSi + InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9) + TVZRAEYQIKYCPH-UHFFFAOYSA-N + 196.340 + 196.05894 + C[Si](CCCS(O)(=O)=O)(C)C + CAS:18173-90-5 + Reaxys:1860132 + Wikipedia:DSS_(NMR_standard) + 3-(trimethylsilyl)propane-1-sulfonic acid + chebi_ontology + 2,2-dimethyl-2-silapentane-5-sulfonic acid + 4,4-dimethyl-4-silapentane-1-sulfonic acid + DSS + CHEBI:85362 + + 3-(trimethylsilyl)propane-1-sulfonic acid + + + + + CAS:18173-90-5 + ChemIDplus + + + + + Reaxys:1860132 + Reaxys + + + + + 3-(trimethylsilyl)propane-1-sulfonic acid + IUPAC + + + + + + 2,2-dimethyl-2-silapentane-5-sulfonic acid + ChEBI + + + + + 4,4-dimethyl-4-silapentane-1-sulfonic acid + ChEBI + + + + + DSS + SUBMITTER + + - - - pT2b (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 5 cm but not more than 7 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT2b (lung) - + + + + + + + An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). + 0 + C6H13NaO2Si + InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1 + OIIWPAYIXDCDNL-UHFFFAOYSA-M + 168.24150 + 168.05825 + [Na+].C[Si](C)(C)CCC([O-])=O + CAS:37013-20-0 + Reaxys:4021529 + sodium 3-(trimethylsilyl)propanoate + chebi_ontology + TMSP + TSP + sodium trimethylsilylpropanoate + sodium trimethylsilylpropionate + CHEBI:85363 + + sodium 3-(trimethylsilyl)propionate + + + + + CAS:37013-20-0 + ChemIDplus + + + + + Reaxys:4021529 + Reaxys + + + + + sodium 3-(trimethylsilyl)propanoate + IUPAC + + + + + + TMSP + SUBMITTER + + + + + TSP + SUBMITTER + + + + + sodium trimethylsilylpropanoate + ChEBI + + + + + sodium trimethylsilylpropionate + ChEBI + - + + + + + + An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio. + 0 + BrH4N + InChI=1S/BrH.H3N/h1H;1H3 + SWLVFNYSXGMGBS-UHFFFAOYSA-N + 97.94200 + 96.95271 + [NH4+].[Br-] + CAS:12124-97-9 + Reaxys:13202152 + Wikipedia:Ammonium_bromide + chebi_ontology + NH4Br + CHEBI:85364 + + ammonium bromide + + + + + CAS:12124-97-9 + ChemIDplus + + + + + CAS:12124-97-9 + NIST Chemistry WebBook + + + + + Reaxys:13202152 + Reaxys + + + + + NH4Br + ChEBI + + - - - pT3 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 7 cm or one that directly invades any of: parietal pleura, chest wall (including superior sulcus tumors), diaphragm, phrenic nerve, mediastinal pleura, parietal pericardiu or the tumor is in the main bronchus less than 2 cm distal to the carina but without involvement of the carina or there is associated atelectasis or obstructive pneumonitis of the entire lung or there is separate tumor nodule(s) in the same lobe as the primary. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT3 (lung) - + + + + + + + + + A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy. + 0 + CDCl3 + InChI=1S/CHCl3/c2-1(3)4/h1H/i1D + HEDRZPFGACZZDS-MICDWDOJSA-N + 120.380 + 118.92066 + [2H]C(Cl)(Cl)Cl + CAS:865-49-6 + PMID:29864274 + PMID:32562503 + Reaxys:1697633 + Wikipedia:Deuterated_chloroform + trichloro((2)H)methane + chebi_ontology + (2H)Chloroform + CDCl3 + Chloroform-D + Trichloromethane-d + Trichloromethane-d1 + deuterochloroform + CHEBI:85365 + + deuterated chloroform + + + + + + true + + + + + CAS:865-49-6 + ChemIDplus + + + + + CAS:865-49-6 + NIST Chemistry WebBook + + + + + PMID:29864274 + Europe PMC + + + + + PMID:32562503 + Europe PMC + + + + + Reaxys:1697633 + Reaxys + + + + + trichloro((2)H)methane + IUPAC + + + + + + (2H)Chloroform + ChemIDplus + + + + + CDCl3 + SUBMITTER + + + + + Chloroform-D + ChemIDplus + + + + + Trichloromethane-d + NIST_Chemistry_WebBook + + + + + Trichloromethane-d1 + NIST_Chemistry_WebBook + + + + + deuterochloroform + ChEBI + - + + + + + + An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). + 0 + C6H14O2Si + InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8) + NONFLFDSOSZQHR-UHFFFAOYSA-N + 146.25970 + 146.07631 + C[Si](C)(C)CCC(O)=O + CAS:5683-30-7 + Reaxys:1747261 + Wikipedia:Trimethylsilyl_propanoic_acid + 3-(trimethylsilyl)propanoic acid + chebi_ontology + 3-trimethylsilylpropanoic acid + 3-trimethylsilylpropionic acid + TMSP + TSP + CHEBI:85487 + + 3-(trimethylsilyl)propionic acid + + + + + CAS:5683-30-7 + ChemIDplus + + + + + Reaxys:1747261 + Reaxys + + + + + 3-(trimethylsilyl)propanoic acid + IUPAC + + + + + + 3-trimethylsilylpropanoic acid + ChEBI + + + + + 3-trimethylsilylpropionic acid + ChEBI + + + + + TMSP + ChEBI + + + + + TSP + ChEBI + + + - - - pT4 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor of any size that invades any of the following: mediastinum, heart, great vessels, trachea, recurrent laryngeal nerve, esophagus, vertebral body, carina or there is separate tumor nodule(s) in a different ipsilateral lobe to that of the primary. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT4 (lung) - + + + + + + + + An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. + 0 + O4Os + InChI=1S/4O.Os + VUVGYHUDAICLFK-UHFFFAOYSA-N + 254.222 + 255.94114 + O=[Os](=O)(=O)=O + CAS:20816-12-0 + PMID:12530969 + PMID:23975065 + PMID:25871651 + Reaxys:11406415 + Wikipedia:Osmium_tetroxide + tetraoxoosmium + chebi_ontology + Osmic acid + Osmic acid anhydride + Osmium oxide + Osmium tetraoxide + Perosmic acid anhydride + Perosmic oxide + CHEBI:88215 + + osmium tetroxide + + + + + CAS:20816-12-0 + ChemIDplus + + + + + CAS:20816-12-0 + NIST Chemistry WebBook + + + + + PMID:12530969 + Europe PMC + + + + + PMID:23975065 + Europe PMC + + + + + PMID:25871651 + Europe PMC + + + + + Reaxys:11406415 + Reaxys + + + + + tetraoxoosmium + IUPAC + + + + + + Osmic acid + ChemIDplus + + + + + Osmic acid anhydride + ChemIDplus + + + + + Osmium oxide + ChemIDplus + + + + + Osmium tetraoxide + ChemIDplus + + + + + Perosmic acid anhydride + ChemIDplus + + + + + Perosmic oxide + ChemIDplus + - + - - - pT0 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT0 (kidney) - + + + objective specification + In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction. + + A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved. + 2009-03-16: original definition when imported from OBI read: "objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed." + 2014-03-31: In the example of usage ("In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that. + Answers the question, why did you do this experiment? + PERSON: Alan Ruttenberg + PERSON: Barry Smith + PERSON: Bjoern Peters + PERSON: Jennifer Fostel + goal specification + OBI Plan and Planned Process/Roles Branch + OBI_0000217 + objective specification + + + + + + + + + Pour the contents of flask 1 into flask 2 + + A directive information entity that describes an action the bearer will take. + Alan Ruttenberg + OBI Plan and Planned Process branch + action specification + + + + + + + + + data item + Data items include counts of things, analyte concentrations, and statistical summaries. + + An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements. + 2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers. + 2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum. + 2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym. + 2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/ + JAR: datum -- well, this will be very tricky to define, but maybe some +information-like stuff that might be put into a computer and that is +meant, by someone, to denote and/or to be interpreted by some +process... I would include lists, tables, sentences... I think I might +defer to Barry, or to Brian Cantwell Smith + +JAR: A data item is an approximately justified approximately true approximate belief + PERSON: Alan Ruttenberg + PERSON: Chris Stoeckert + PERSON: Jonathan Rees + data + data item + - + + + + + + + + + + + information content entity + Examples of information content entites include journal articles, data, graphical layouts, and graphs. + + A generically dependent continuant that is about some thing. + 2014-03-10: The use of "thing" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ). + information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). - - - pT1 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 7 cm or less in greatest dimension and limited to the kidney. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT1 (kidney) - +Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity. + PERSON: Chris Stoeckert + OBI_0000142 + information content entity + - + - - - pT1a (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 4 cm or less. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT1a (kidney) - + + + + + + + + + + An information content entity whose concretizations indicate to their bearer how to realize them in a process. + 2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was "is the specification of a process that can be concretized and realized by an actor" with alternative term "instruction".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term. + 2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it. + 8/6/2009 Alan Ruttenberg: Changed label from "information entity about a realizable" after discussions at ICBO + Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan + PERSON: Alan Ruttenberg + PERSON: Bjoern Peters + directive information entity + - + - - - pT1b (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 4 cm but not more than 7 cm. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT1b (kidney) - + + + + + + + + + + + + + + + + + + curation status specification + + The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. + Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting) + PERSON:Bill Bug + GROUP:OBI:<http://purl.obolibrary.org/obo/obi> + OBI_0000266 + curation status specification + - + - - - pT2 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm in greatest dimension and limited to the kidney. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT2 (kidney) - + + + data about an ontology part + Data about an ontology part is a data item about a part of an ontology, for example a term + Person:Alan Ruttenberg + data about an ontology part + - + - - - pT2a (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm but not more than 10 cm. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT2a (kidney) - + + + + + + + + + + + + + + + plan specification + PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice. + + A directive information entity with action specifications and objective specifications as parts, and that may be concretized as a realizable entity that, if realized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified. + 2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was " a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term. + 2014-03-31: A plan specification can have other parts, such as conditional specifications. + 2022-01-16 Updated definition to that proposed by Clint Dowloand, IAO Issue 231. + Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved + Alan Ruttenberg + Clint Dowland + OBI Plan and Planned Process branch + OBI_0000344 + 2/3/2009 Comment from OBI review. + +Action specification not well enough specified. +Conditional specification not well enough specified. +Question whether all plan specifications have objective specifications. + +Request that IAO either clarify these or change definitions not to use them + plan specification + https://github.com/information-artifact-ontology/IAO/issues/231#issuecomment-1010455131 + - + - - - pT2b (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 10 cm and limited to the kidney. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT2b (kidney) - + + + + A settings datum is a datum that denotes some configuration of an instrument. + 2/3/2009 Feedback from OBI + +This should be a "setting specification". There is a question of whether it is information about a realizable or not. + +Pro other specification are about realizables. +Cons sometimes specifies a quality which is not a realizable. + Alan grouped these in placeholder for the moment. Name by analogy to measurement datum. + setting datum + - + - - - pT3 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor extends into major veins or perinephric tissues but not into the ipsilateral adrenal gland and not beyond the Gerota fascia. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3 (kidney) - + + + + + + + + + + + + + + + obsolescence reason specification + + The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. + The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology. + PERSON: Alan Ruttenberg + PERSON: Melanie Courtot + obsolescence reason specification + - + - - - pT3a (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into the renal vein or its segmental (muscle containing) branches, or the tumor invades perirenal and/or renal sinus fat (peripelvic) fat but not beyond Gerota fascia. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3a (kidney) - + + + + + + + + + + + + denotator type + The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are "natural kinds" and the latter arbitrary collections of entities. + A denotator type indicates how a term should be interpreted from an ontological perspective. + Alan Ruttenberg + Barry Smith, Werner Ceusters + denotator type + - + - - - pT3b (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava below diaphragm. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3b (kidney) - + + + ontology module + I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it. + ontology file + This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology. + ontology module + - + - - - pT3c (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava above the diaphragm or Invades the wall of the vena cava. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3c (kidney) - + + + base ontology module + An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies. + base ontology module + + - + - - - pT4 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor invades beyond Gerota fascia (including contiguous extension into the ipsilateral adrenal gland). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT4 (kidney) - + + + editors ontology module + An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users. + source ontology module + editors ontology module + - + - - - pT0 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT0 (ovary) - + + + main release ontology module + An ontology module that is intended to be the primary release product and the one consumed by the majority of tools. + TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module + main release ontology module + - + - - - pT1 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to the ovaries (one or both). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1 (ovary) - + + + bridge ontology module + An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module. + bridge ontology module + + - + - - - pT1a (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one ovary; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1a (ovary) - + + + import ontology module + A subset ontology module that is intended to be imported from another ontology. + TODO: add axioms that indicate this is the output of a module extraction process. + import file + import ontology module + + - + - - - pT1b (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to both ovaries; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1b (ovary) - + + + subset ontology module + An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms. + ontology slim + subset ontology + subset ontology module + + + - + - - - pT1c (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one or both ovaries with capsule ruptured, tumor on ovarian surface, or malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1c (ovary) - + + + curation subset ontology module + A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation. + curation subset ontology module + - + - - - pT2 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with pelvic extension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2 (ovary) - + + + analysis ontology module + An ontology module that is intended for usage in analysis or discovery applications. + analysis subset ontology module + - + - - - pT2a (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension and/or implants on uterus and/or tube(s) and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2a (ovary) - + + + single layer ontology module + A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint. + ribbon subset + single layer subset ontology module + - + - - - pT2b (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension to other pelvic tissues and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2b (ovary) - + + + exclusion subset ontology module + A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes. + antislim + exclusion subset ontology module + - + - - - pT2c (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has pelvic extension with malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2c (ovary) - + + + external import ontology module + An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach. + external import + external import ontology module + - + - - - pT3 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with microscopically confirmed peritoneal metastasis outside the pelvis and/or regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3 (ovary) - + + + species subset ontology module + A subset ontology that is crafted to either include or exclude a taxonomic grouping of species. + taxon subset + species subset ontology module + + - + - - - pT3a (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has microscopic peritoneal metastasis beyond pelvis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3a (ovary) - + + + reasoned ontology module + An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available. + reasoned ontology module + + - + - - - pT3b (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has macroscopic peritoneal, metastatasis beyond pelvis, 2 cm or less in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3b (ovary) - + + + generated ontology module + An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV. + TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process + generated ontology module + - + - - - pT3c (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has peritoneal metastasis beyond pelvis, more than 2 cm in greatest dimension and/or regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3c (ovary) - + + + template generated ontology module + An ontology module that is automatically generated from a template specification and fillers for slots in that template. + template generated ontology module + + + + - + - - - pN0 (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating no regional lymph node metastsis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN0 (colon) - + + + taxonomic bridge ontology module + taxonomic bridge ontology module + - + - - - pN1 (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1-3 regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1 (colon) - + + + ontology module subsetted by expressivity + ontology module subsetted by expressivity + - - - - - pN1a (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1 regional lymph node. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1a (colon) - - + + + + obo basic subset ontology module + A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. - +Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). - - - pN1b (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 2-3 regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1b (colon) - +An ontology is OBO Basic if and only if it has the following characteristics: +DAG +Unidirectional +No Dangling Clauses +Fully Asserted +Fully Labeled +No equivalence axioms +Singly labeled edges +No qualifier lists +No disjointness axioms +No owl-axioms header +No imports + obo basic subset ontology module + + - + - - - pN1c (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating tumor deposit(s), i.e., satellites in the subserosa, or in non-peritonealized pericolic or perirectal soft tissue without regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1c (colon) - + + + ontology module subsetted by OWL profile + ontology module subsetted by OWL profile + - + - - - pN2 (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 or more regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN2 (colon) - + + + EL++ ontology module + EL++ ontology module + - + - - - pN2a (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 to 6 regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN2a (colon) - + - + - - - pN2b (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 7 or more regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN2b (colon) - + + + + + + + + + + + + + + + + + + + + + + + + + planned process + Injecting mice with a vaccine in order to test its efficacy + + A process that realizes a plan which is the concretization of a plan specification. + 'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.) + We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some +objectives is a planned process. + Bjoern Peters + branch derived + 6/11/9: Edited at workshop. Used to include: is initiated by an agent + This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call) + planned process + - + - - - pN0 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating no regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN0 (lung) - + + + + + + + + + + + + + + + + + + + + processed material + Examples include gel matrices, filter paper, parafilm and buffer solutions, mass spectrometer, tissue samples + + Is a material entity that is created or changed during material processing. + PERSON: Alan Ruttenberg + processed material + - + - - - pN1 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral peribronchial and/or ipsilateral hilar lymph nodes and intrapulmonary nodes, including involvement by direct extension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN1 (lung) - + + + + + + + + + + + + + + + + + + + + + + + + + + + material processing + A cell lysis, production of a cloning vector, creating a buffer. + + A planned process which results in physical changes in a specified input material + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca Serra + material transformation + OBI branch derived + material processing + - + - - - pN2 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral mediastinal and/or subcarinal lymph node(s). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN2 (lung) - - + + + organization + PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods. + + An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members. + BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: +1) there are organization_member_roles (president, treasurer, branch +editor), with individual persons as bearers - +2) there are organization_roles (employer, owner, vendor, patent holder) - - - pN3 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in contralateral mediastinal, contralateral hilar, ipsilateral or contralateral scalene, or supraclavicular lymph node(s). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN3 (lung) - - +3) an organization has a charter / rules / bylaws, which specify what roles +there are, how they should be realized, and how to modify the +charter/rules/bylaws themselves. +It is debatable what the organization itself is (some kind of dependent +continuant or an aggregate of people). This also determines who/what the +bearer of organization_roles' are. My personal favorite is still to define +organization as a kind of 'legal entity', but thinking it through leads to +all kinds of questions that are clearly outside the scope of OBI. - +Interestingly enough, it does not seem to matter much where we place +organization itself, as long as we can subclass it (University, Corporation, +Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, +W3C, University of Oklahoma), and have it play roles. - - - pN0 (kidney) - - A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is no regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/ - NCI BBRB - pN0 (kidney) - +This leads to my proposal: We define organization through the statements 1 - +3 above, but without an 'is a' statement for now. We can leave it in its +current place in the is_a hierarchy (material entity) or move it up to +'continuant'. We leave further clarifications to BFO, and close this issue +for now. + PERSON: Alan Ruttenberg + PERSON: Bjoern Peters + PERSON: Philippe Rocca-Serra + PERSON: Susanna Sansone + GROUP: OBI + organization + - + - - - pN1 (kidney) - - A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/ - NCI BBRB - pN1 (kidney) - + + + contain function + A syringe, a beaker + + A contain function is a function to constrain a material entities location in space + Bill Bug + Daniel Schober + Frank Gibson + Melanie Courtot + contain function + - + - - - pN0 (ovary) - - A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is no regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/ - NCI BBRB - pN0 (ovary) - + + + + + + + + + + + + + + + information processor function + + An information processor function is a function that converts information from one form to another, by a lossless process or an extraction process. + Frank Gibson + data processor function + information processor function + - + - - - pN1 (ovary) - - A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/ - NCI BBRB - pN1 (ovary) - + + + + + + + + + measure function + A glucometer measures blood glucose concentration, the glucometer has a measure function. + + Measure function is a function that is borne by a processed material and realized in a process in which information about some entity is expressed relative to some reference. + PERSON: Daniel Schober + PERSON: Helen Parkinson + PERSON: Melanie Courtot + PERSON:Frank Gibson + measure function + - + - - - cM0 (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there are no symptoms or signs of distant metastasis. - Chris Stoeckert, Helena Ellis - https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29 - NCI BBRB - cM0 (colon) - + + + + + + + + + consume data function + + Process data function is a function that is borne by in a material entity by virtue of its structure. When realized the material entity consumes data. + PERSON: Daniel Schober + PERSON: Frank Gibson + PERSON: Melanie Courtot + consume data function + - + - - - cM1 (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is clinical evidence of distant metastases by history, physical examination, imaging studies, or invasive procedures, but without microscopic evidence of the presumed distant metastases. - Chris Stoeckert, Helena Ellis - https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29 - NCI BBRB - cM1 (colon) - + + + material transformation objective + The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS. + + an objective specifiction that creates an specific output object from input materials. + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca-Serra + artifact creation objective + GROUP: OBI PlanAndPlannedProcess Branch + material transformation objective + - + - - - cM1a (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - cM1a (colon) - + + + + + + + + + + + + + + + + + + + + + manufacturing + + A planned process with the objective to produce a processed material which will have a function for future use. + A person or organization (having manufacturer role) is a participant in this process + Manufacturing implies reproducibility and responsibility AR + This includes a single scientist making a processed material for personal use. + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca-Serra + GROUP: OBI PlanAndPlannedProcess Branch + manufacturing + - + - - - cM1b (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - cM1b (colon) - + + + manufacturing objective + + is the objective to manufacture a material of a certain function (device) + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca-Serra + GROUP: OBI PlanAndPlannedProcess Branch + manufacturing objective + - + - - - pM1 (colon) + + + vial - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is microscopic evidence confirming distant metastatic disease. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - pM1 (colon) - + A container made from solid material and primarily used for holding liquid. + https://orcid.org/0000-0002-8844-9165 + https://en.wikipedia.org/wiki/Vial + vial + - + - - - pM1a (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ and histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - pM1a (colon) - + + + + + + + + + + + + + + + + manufacturer role + With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role. + + Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process. + GROUP: Role Branch + OBI + manufacturer role + - + - - - pM1b (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum and histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - pM1b (colon) - + + + + + + + + + + + + + + + + + + + + measurement device + A ruler, a microarray scanner, a Geiger counter. + + A device in which a measure function inheres. + GROUP:OBI Philly workshop + OBI + measurement device + - + - - - cM0 (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is no distant metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM0 (lung) - + + + + + + + + + + + + + + + + + + + + + + + + + manufacturer + + A person or organization that has a manufacturer role. + manufacturer + - + - - - cM1 (lung) + + + test tube - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM1 (lung) - + A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material + Bjoern Peters + collection tube + sample tube + http://en.wikipedia.org/wiki/Test_tube + test tube + - + - - - cM1a (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is based on clinical assessment and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM1a (lung) - + + + + + + + + + + + + + + + + + + + + container + + A device that can be used to restrict the location of material entities over time + 03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?) + PERSON: Bjoern Peters + container + - - - - - cM1b (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM1b (lung) - - + + + + + + + + + + device + A voltmeter is a measurement device which is intended to perform some measure function. + An autoclave is a device that sterlizes instruments or contaminated waste by applying high temperature and pressure. + + A material entity that is designed to perform a function in a scientific investigation, but is not a reagent. + 2012-12-17 JAO: In common lab usage, there is a distinction made between devices and reagents that is difficult to model. Therefore we have chosen to specifically exclude reagents from the definition of "device", and are enumerating the types of roles that a reagent can perform. - +2013-6-5 MHB: The following clarifications are outcomes of the May 2013 Philly Workshop. Reagents are distinguished from devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in some chemical interaction or reaction during the realization of their experimental role. By contrast, devices do not participate in such chemical reactions/interactions. Note that there are cases where devices use reagent components during their operation, where the reagent-device distinction is less clear. For example: - - - pM1 (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - pM1 (lung) - - +(1) An HPLC machine is considered a device, but has a column that holds a stationary phase resin as an operational component. This resin qualifies as a device if it participates purely in size exclusion, but bears a reagent role that is realized in the running of a column if it interacts electrostatically or chemically with the evaluant. The container the resin is in (“the column”) considered alone is a device. So the entire column as well as the entire HPLC machine are devices that have a reagent as an operating part. +(2) A pH meter is a device, but its electrode component bears a reagent role in virtue of its interacting directly with the evaluant in execution of an assay. - +(3) A gel running box is a device that has a metallic lead as a component that participates in a chemical reaction with the running buffer when a charge is passed through it. This metallic lead is considered to have a reagent role as a component of this device realized in the running of a gel. - - - pM1a (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is histologically confirmed and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - pM1a (lung) - +In the examples above, a reagent is an operational component of a device, but the device itself does not realize a reagent role (as bearing a reagent role is not transitive across the part_of relation). In this way, the asserted disjointness between a reagent and device holds, as both roles are never realized in the same bearer during execution of an assay. + PERSON: Helen Parkinson + instrument + OBI development call 2012-12-17. + device + - + - - - pM1b (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed and associated with distant lymph nodes or carcinomatosis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - pM1b (lung) - + + + organism + animal + fungus + plant + virus + + A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs. + 10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms') + 13-02-2009: +OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. +This issue is outside the scope of OBI. + GROUP: OBI Biomaterial Branch + WEB: http://en.wikipedia.org/wiki/Organism + organism + - + - - - cM0 (kidney) - - A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is no distant metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/ - NCI BBRB - cM0 (kidney) - + + + + + + + + + computer + Apple PowerBook, Dell OptiPlex + + A computer is an instrument which manipulates (stores, retrieves, and processes) data according to a list of instructions. + Melanie Courtot + Trish Whetzel + http://en.wikipedia.org/wiki/Computer + computer + - + - - - cM1 (kidney) - - A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/ - NCI BBRB - cM1 (kidney) - + - + - - - pM1 (kidney) - - A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/ - NCI BBRB - pM1 (kidney) - + - + - - - cM0 (ovary) - - A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is no distant metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/ - NCI BBRB - cM0 (ovary) - + - + - - - cM1 (ovary) - - A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/ - NCI BBRB - cM1 (ovary) - - + - - - pM1 (ovary) - - A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis that is histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/ - NCI BBRB - pM1 (ovary) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T13:28:30Z + https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific + Thermo Fischer + Thermo FIsher Scientific + Thermo Fisher Scientific Inc. + Thermo Scientific™ + https://thermofisher.com - + - - - Occult Carcinoma (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating a small carcinoma, either asymptomatic or giving rise to metastases without symptoms due to the primary carcinoma. - Chris Stoeckert, Helena Ellis - Occult Carcinoma - http://www.medilexicon.com/dictionary/14371 - NCI BBRB - Occult Carcinoma (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:26:12Z + Magritek + https://magritek.com/ - + - - - Stage 0 (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating a carcinoma in situ (or melanoma in situ for melanoma of the skin or germ cell neoplasia in situ for testicular germ cell tumors) and generally is considered to have no metastatic potential. - Chris Stoeckert, Helena Ellis - Stage 0 - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage 0 (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:30:14Z + Nanalysis + https://www.nanalysis.com/ - + - - - Stage I (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers that are smaller or less deeply invasive without regional disease or nodes. - Chris Stoeckert, Helena Ellis - Stage I - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage I (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:32:08Z + NMR Service + NMR Service GmbH + https://nmr-service.de/ - + - - - Stage IIA (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIB and IIC. - Chris Stoeckert, Helena Ellis - Stage IIA - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIA (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:33:47Z + Deutero + https://www.deutero.de/ - + - - - Stage IIB (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIC. - Chris Stoeckert, Helena Ellis - Stage IIB - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIB (AJCC 7th) + + + + 2024-08-26T14:36:15Z + Norell® + https://secure.nmrtubes.com/ - + - - - Stage IIC (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIB. - Chris Stoeckert, Helena Ellis - Stage IIC - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIC (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:40:56Z + Chemagnetics - + - - - Stage IIIA (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIB and IIIC. - Chris Stoeckert, Helena Ellis - Stage IIIA - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIIA (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:42:26Z + Nalorac - + - - - Stage IIIB (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIC. - Chris Stoeckert, Helena Ellis - Stage IIIB - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIIB (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + GB0006650450 + https://en.wikipedia.org/wiki/Oxford_Instruments + Oxford Instruments + https://www.oxinst.com - + - - - Stage IIIC (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIB. - Chris Stoeckert, Helena Ellis - Stage IIIC - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIIC (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Spinlock SRL + Spinlock + https://spinlock.com.ar - + - - - Stage IVA (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVB. - Chris Stoeckert, Helena Ellis - Stage IVA - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IVA (AJCC 7th) + + + General Electric - + - - - Stage IVB (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVA. - Chris Stoeckert, Helena Ellis - Stage IVB - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IVB (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Kimble Chase + Kimble Chase Life Science and Research Products LLC + https://www.dwk.com/about-us - + - - - Stage IA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating invasive carcinoma which can be diagnosed only by microscopy, with deepest invasion <5 mm and the largest extension <7 mm. - Chris Stoeckert, Helena Ellis - Stage IA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IA (FIGO) + + + Phillips - + - - - Stage IA1 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of <3.0 mm in depth and extension of <7.0 mm. - Chris Stoeckert, Helena Ellis - Stage IA1 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IA1 (FIGO) + + Siemens AG - + - - - Stage IA2 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of >3.0 mm and not >5.0 mm with an extension of not >7.0 mm. - Chris Stoeckert, Helena Ellis - Stage IA2 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IA2 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/Bruker + Bruker + Bruker Corporation + https://www.bruker.com - + - - - Stage IB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesions limited to the cervix uteri or pre-clinical cancers greater than stage IA - Chris Stoeckert, Helena Ellis - Stage IB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IB (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/Varian,_Inc. + Varian + Varian, Inc. - + - - - Stage IB1 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA <4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IB1 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IB1 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/JEOL + JEOL + Nihon Denshi Kabushiki-kaisha + 日本電子 + https://www.jeol.co.jp - + - - - Stage IB2 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA >4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IB2 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IB2 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + MR Resources + https://www.mrr.com/ - + - - - Stage IIA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion. - Chris Stoeckert, Helena Ellis - Stage IIA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIA (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + tecmag + Tecmag + https://tecmag.com/ - + - - - Stage IIA1 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion <4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IIA1 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIA1 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Doty Scientific + Doty Scientific, Inc. + https://dotynmr.com - + - - - Stage IIA2 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion >4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IIA2 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIA2 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Wilmad + https://sp-wilmadlabglass.com/ - + - - - Stage IIB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina with obvious parametrial invasion. - Chris Stoeckert, Helena Ellis - Stage IIB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIB (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + JS Research + J S RESEARCH INC. + JSR + https://www.jsresearch.com/ - + - - - Stage IIIA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating tumour involves lower third of the vagina, with no extension to the pelvic wall. - Chris Stoeckert, Helena Ellis - Stage IIIA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIIA (FIGO) + + + Acorn NMR Inc - + - - - Stage IIIB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating extension to the pelvic wall and/or hydronephrosis or non-functioning kidney. - Chris Stoeckert, Helena Ellis - Stage IIIB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIIB (FIGO) + + + ThermoMattson - + - - - Stage IVA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread of the growth to adjacent organs. - Chris Stoeckert, Helena Ellis - Stage IVA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IVA (FIGO) + + + FOSS - + - - - Stage IVB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread to distant organs. - Chris Stoeckert, Helena Ellis - Stage IVB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IVB (FIGO) + + + Jasco - + - - - Stage 1 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/Agilent_Technologies + Agilent Technologies + https://www.agilent.com/ - + - - - Stage 1A (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1a, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1A - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1A (FIGO) + + + micromass - + - - - Stage 1B (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1b, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1B - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1B (FIGO) + + + Waters - + - - - Stage 1C (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1c, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1C - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1C (FIGO) + + + ThermoNicolet - + - - - Stage 2 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2 (FIGO) + + + Perkin Elmer - + - - - Stage 2A (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2a, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2A - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2A (FIGO) + + + OceanOptics - + - - - Stage 2B (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2b, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2B - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2B (FIGO) + + + ThermoFinnigan - + - - - Stage 2C (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2c, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2C - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2C (FIGO) + + + Applied Biosystems - + - - - Stage 3 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3, N0, and M0) or (T3,3a,3b, NX, and M0). - Chris Stoeckert, Helena Ellis - Stage 3 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3 (FIGO) + + + TX - + - - - Stage 3A (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3a, N0, and M0 . - Chris Stoeckert, Helena Ellis - Stage 3A - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3A (FIGO) + + + acdlabs - + - - - Stage 3B (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3b, N0, and M0 . - Chris Stoeckert, Helena Ellis - Stage 3B - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3B (FIGO) + + + example to be eventually removed + example to be eventually removed - + - - - Stage 3C (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3c, N0,X and M0) or (any T, N1 and M0). - Chris Stoeckert, Helena Ellis - Stage 3C - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3C (FIGO) + + + failed exploratory term + The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job + Person:Alan Ruttenberg + failed exploratory term - + - - - Stage 4 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of any T, any N, and M1. - Chris Stoeckert, Helena Ellis - Stage 4 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 4 (FIGO) + + + metadata complete + Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete. + metadata complete - + - - - Stage Unknown (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T0, N0, and M0) or (T1,1a-1c,2,2a-2c, NX, and M0) or (TX, N0,X, M0). - Chris Stoeckert, Helena Ellis - Stage Unknown - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage Unknown (FIGO) + + + organizational term + Term created to ease viewing/sort terms for development purpose, and will not be included in a release + organizational term - + - - - 3: symptomatic in bed more than 50% of the day but not bed ridden - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and in bed for more than 50% of the day but is not bed ridden. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 3: symptomatic in bed more than 50% of the day but not bed ridden + + + ready for release + Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release." + ready for release - + - - - 2: symptomatic but in bed less than 50% of the day - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is in bed for less than 50% of the day. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 2: symptomatic but in bed less than 50% of the day + + + metadata incomplete + Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors. + metadata incomplete - + - - - 4: bed ridden - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and is bed ridden. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 4: bed ridden + + + uncurated + Nothing done yet beyond assigning a unique class ID and proposing a preferred term. + uncurated - + - - - 0: asymptomatic - - An Eastern Cooperative Oncology Group score value specification indicating a patient is asymptomatic. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 0: asymptomatic + + + pending final vetting + All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor. + pending final vetting - + - - - 1: symptomatic but fully ambulatory - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is fully ambulatory. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 1: symptomatic but fully ambulatory + + Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes. + PERSON: Alan Ruttenberg + PERSON: Melanie Courtot + + obsolete_core + true - + - - - 100: asymptomatic - - A Karnofsky score vaue specification indicating that a patient is asymptomatic. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 100: asymptomatic + + + placeholder removed + placeholder removed - + - - - 80-90: symptomatic but fully ambulatory - - A Karnofsky score vaue specification indicating that a patient is symptomatic but fully ambulatory. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 80-90: symptomatic but fully ambulatory + + + terms merged + An editor note should explain what were the merged terms and the reason for the merge. + terms merged - + - - - 60-70: symptomatic but in bed less than 50% of the day - - A Karnofsky score vaue specification indicating that a patient is symptomatic but in bed less than 50% of the day. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 60-70: symptomatic but in bed less than 50% of the day + + + term imported + This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use. + term imported - + - - - 40-50: symptomatic, in bed more than 50% of the day, but not bed ridden - - A Karnofsky score vaue specification indicating that a patient is symptomatic, in bed more than 50% of the day, but not bed ridden. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 40-50: symptomatic, in bed more than 50% of the day, but not bed ridden + + + term split + This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created. + term split - + - - - Oxford Nanopore Technologies - - An organization that is developing and selling nanopore sequencing products and is based in the UK. - James A. Overton - https://en.wikipedia.org/wiki/Oxford_Nanopore_Technologies - Oxford Nanopore Technologies + + + universal + Hard to give a definition for. Intuitively a "natural kind" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents. + Alan Ruttenberg + A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf + universal - + - - - BioGents - - An organization that manufactures mosquito traps and other mosquito control products. - John Judkins - WEB:https://eu.biogents.com/about-biogents/ - BioGents + + + defined class + A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal + "definitions", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal. + Alan Ruttenberg + defined class - + - - - Abbott - - A manufacturer of rapid point-of-care assay devices. - John Judkins ORCID:0000-0001-6595-0902 - WEB:https://www.globalpointofcare.abbott/en/about.html - https://github.com/obi-ontology/obi/issues/1456 - Abbott + + + named class expression + A named class expression is a logical expression that is given a name. The name can be used in place of the expression. + named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions + Alan Ruttenberg + named class expression - + - - - J. Mitra - - A manufacturer of in vitro diagnostic assay kits in India. - John Judkins ORCID:0000-0001-6595-0902 - WEB:https://jmitra.co.in/about-us/ - https://github.com/obi-ontology/obi/issues/1456 - J. Mitra + + + to be replaced with external ontology term + Terms with this status should eventually replaced with a term from another ontology. + Alan Ruttenberg + group:OBI + to be replaced with external ontology term - + - - - InBios - - A manufacturer that specializes in in vitro diagnostic devices designed to test for infectious diseases. - John Judkins ORCID:0000-0001-6595-0902 - WEB:https://inbios.com/about/ - https://github.com/obi-ontology/obi/issues/1456 - InBios + + + requires discussion + A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues. + Alan Ruttenberg + group:OBI + requires discussion @@ -10221,39 +31494,16 @@ class labels for these objects. The resulting predictor can be used to attach cl /////////////////////////////////////////////////////////////////////////////////////// --> - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + @@ -10276,1365 +31526,9 @@ class labels for these objects. The resulting predictor can be used to attach cl - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - true - MF(X)-directly_regulates->MF(Y)-enabled_by->GP(Z) => MF(Y)-has_input->GP(Y) e.g. if 'protein kinase activity'(X) directly_regulates 'protein binding activity (Y)and this is enabled by GP(Z) then X has_input Z - infer input from direct reg - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - GP(X)-enables->MF(Y)-has_part->MF(Z) => GP(X) enables MF(Z), -e.g. if GP X enables ATPase coupled transporter activity' and 'ATPase coupled transporter activity' has_part 'ATPase activity' then GP(X) enables 'ATPase activity' - enabling an MF enables its parts - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - true - GP(X)-enables->MF(Y)-part_of->BP(Z) => GP(X) involved_in BP(Z) e.g. if X enables 'protein kinase activity' and Y 'part of' 'signal tranduction' then X involved in 'signal transduction' - involved in BP - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - If a molecular function (X) has a regulatory subfunction, then any gene product which is an input to that subfunction has an activity that directly_regulates X. Note: this is intended for cases where the regaultory subfunction is protein binding, so it could be tightened with an additional clause to specify this. - inferring direct reg edge from input to regulatory subfunction - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - inferring direct neg reg edge from input to regulatory subfunction - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - inferring direct positive reg edge from input to regulatory subfunction - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - effector input is compound function input - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Input of effector is input of its parent MF - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - if effector directly regulates X, its parent MF directly regulates X - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - if effector directly positively regulates X, its parent MF directly positively regulates X - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - if effector directly negatively regulates X, its parent MF directly negatively regulates X - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 'causally downstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties). - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 'causally upstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties). - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + diff --git a/nmrCV-full.ttl b/nmrCV-full.ttl index 4dd53d8..8e6496b 100644 --- a/nmrCV-full.ttl +++ b/nmrCV-full.ttl @@ -1,28 +1,89 @@ -@prefix : . +@prefix : . @prefix dce: . @prefix obo: . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . +@prefix doap: . @prefix foaf: . @prefix rdfs: . @prefix skos: . -@prefix swrl: . -@prefix swrla: . -@prefix swrlb: . +@prefix chebi: . +@prefix chebi1: . +@prefix chebi2: . +@prefix chebi3: . @prefix dcterms: . @prefix protege: . @prefix subsets: . @prefix oboInOwl: . -@base . - - rdf:type owl:Ontology ; - owl:versionIRI ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; - dcterms:license ; - dcterms:title "nuclear magnetic resonance CV" ; - owl:versionInfo "2023-11-23" . +@base . + + rdf:type owl:Ontology ; + owl:versionIRI ; + dce:contributor "Annick Moing" , + "Catherine Deborde" , + "Daniel Jacob" , + "Daniel Schober" , + "Joseph Cruz" , + "Michael Wilson" , + "Philippe Rocca-Serra" , + "Reza Salek" , + """Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen""" , + "Steffen Neumann" ; + dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project.""" ; + dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:license ; + dcterms:title "nuclear magnetic resonance CV" ; + doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." ; + doap:bug-database "https://github.com/nmrML/nmrML/issues" ; + doap:documenter "Daniel Schober" ; + doap:implements "https://github.com/nmrML/nmrML" ; + doap:location "https://github.com/nmrML/nmrCV" ; + doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" ; + doap:maintainer "https://www.wikidata.org/wiki/Q96678459" ; + owl:deprecated "http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo" ; + owl:versionInfo "2.0_alpha" , + "2025-02-18" . ################################################################# # Annotation properties @@ -113,11 +174,32 @@ We don't have definitions of 'meaning' or 'expression' or 'property'. For 'refer Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. -We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with."""@en ; +We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with."""@en , + """2012-04-05: +Barry Smith + +The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. + +Can you fix to something like: + +A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. + +Alan Ruttenberg + +Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. + +On the specifics of the proposed definition: + +We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. + +Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. + +We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. """@en ; obo:IAO_0000117 "PERSON:Daniel Schober"@en ; obo:IAO_0000119 "GROUP:OBI:"@en ; rdfs:isDefinedBy obo:iao.owl ; - rdfs:label "definition"@en . + rdfs:label "definition" , + "definition"@en . ### http://purl.obolibrary.org/obo/IAO_0000116 @@ -607,27 +689,18 @@ obo:OMO_0003012 rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . -### http://purl.obolibrary.org/obo/RO_0001900 -obo:RO_0001900 rdf:type owl:AnnotationProperty . - - -### http://purl.obolibrary.org/obo/RO_0002259 -obo:RO_0002259 rdf:type owl:AnnotationProperty ; - rdfs:subPropertyOf oboInOwl:SubsetProperty . - - -### http://purl.obolibrary.org/obo/RO_0002575 -obo:RO_0002575 rdf:type owl:AnnotationProperty . - - -### http://purl.obolibrary.org/obo/RO_0002579 -obo:RO_0002579 rdf:type owl:AnnotationProperty . +### http://purl.obolibrary.org/obo/OMO_0004000 +obo:OMO_0004000 rdf:type owl:AnnotationProperty ; + obo:IAO_0000112 "A serial number such as \"12324X\"; a stop sign; a written proper name such as \"OBI" ; + obo:IAO_0000115 "An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-03-25"^^xsd:date ; + rdfs:label "has symbol" . -### http://purl.obolibrary.org/obo/RO_0002581 -obo:RO_0002581 rdf:type owl:AnnotationProperty ; - obo:IAO_0000115 "If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL" ; - rdfs:label "is a defining property chain axiom" . +### http://purl.obolibrary.org/obo/RO_0001900 +obo:RO_0001900 rdf:type owl:AnnotationProperty . ### http://purl.obolibrary.org/obo/RO_0002582 @@ -636,14 +709,6 @@ obo:RO_0002582 rdf:type owl:AnnotationProperty ; rdfs:label "is a defining property chain axiom where second argument is reflexive" . -### http://purl.obolibrary.org/obo/RO_0004049 -obo:RO_0004049 rdf:type owl:AnnotationProperty . - - -### http://purl.obolibrary.org/obo/RO_0004050 -obo:RO_0004050 rdf:type owl:AnnotationProperty . - - ### http://purl.obolibrary.org/obo/RO_0040042 obo:RO_0040042 rdf:type owl:AnnotationProperty . @@ -668,6 +733,54 @@ obo:valid_for_gocam rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf oboInOwl:SubsetProperty . +### http://purl.obolibrary.org/obo/chebi#BRAND_NAME +chebi1:BRAND_NAME rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . + + +### http://purl.obolibrary.org/obo/chebi#IUPAC_NAME +chebi1:IUPAC_NAME rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . + + +### http://purl.obolibrary.org/obo/chebi#2_STAR +chebi2:_STAR rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SubsetProperty . + + +### http://purl.obolibrary.org/obo/chebi#3_STAR +chebi3:_STAR rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SubsetProperty . + + +### http://purl.obolibrary.org/obo/chebi/charge +chebi:charge rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/formula +chebi:formula rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/inchi +chebi:inchi rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/inchikey +chebi:inchikey rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/mass +chebi:mass rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/monoisotopicmass +chebi:monoisotopicmass rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/smiles +chebi:smiles rdf:type owl:AnnotationProperty . + + ### http://purl.obolibrary.org/obo/ro/subsets#ro-eco subsets:ro-eco rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf oboInOwl:SubsetProperty . @@ -745,8 +858,8 @@ dcterms:contributor rdf:type owl:AnnotationProperty . dcterms:created rdf:type owl:AnnotationProperty . -### http://purl.org/dc/terms/creator -dcterms:creator rdf:type owl:AnnotationProperty . +### http://purl.org/dc/terms/date +dcterms:date rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/description @@ -754,6 +867,10 @@ dcterms:description rdf:type owl:AnnotationProperty ; rdfs:label "description" . +### http://purl.org/dc/terms/identifier +dcterms:identifier rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/terms/license dcterms:license rdf:type owl:AnnotationProperty ; rdfs:label "license" . @@ -768,8 +885,32 @@ dcterms:title rdf:type owl:AnnotationProperty ; rdfs:label "title" . -### http://swrl.stanford.edu/ontologies/3.3/swrla.owl#isRuleEnabled -swrla:isRuleEnabled rdf:type owl:AnnotationProperty . +### http://usefulinc.com/ns/doap#audience +doap:audience rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#bug-database +doap:bug-database rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#documenter +doap:documenter rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#implements +doap:implements rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#location +doap:location rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#mailing-list +doap:mailing-list rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#maintainer +doap:maintainer rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#SubsetProperty @@ -780,6 +921,14 @@ oboInOwl:SubsetProperty rdf:type owl:AnnotationProperty . oboInOwl:SynonymTypeProperty rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#auto-generated-by +oboInOwl:auto-generated-by rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#consider +oboInOwl:consider rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#created_by oboInOwl:created_by rdf:type owl:AnnotationProperty . @@ -788,10 +937,18 @@ oboInOwl:created_by rdf:type owl:AnnotationProperty . oboInOwl:creation_date rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#date +oboInOwl:date rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#default-namespace oboInOwl:default-namespace rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#hasAlternativeId +oboInOwl:hasAlternativeId rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#hasBroadSynonym oboInOwl:hasBroadSynonym rdf:type owl:AnnotationProperty ; obo:IAO_0000115 "An alternative label for a class or property which has a more general meaning than the preferred name/primary label." ; @@ -803,7 +960,14 @@ oboInOwl:hasBroadSynonym rdf:type owl:AnnotationProperty ; ### http://www.geneontology.org/formats/oboInOwl#hasDbXref -oboInOwl:hasDbXref rdf:type owl:AnnotationProperty . +oboInOwl:hasDbXref rdf:type owl:AnnotationProperty ; + obo:IAO_0000112 "disease characteristic (MONDO:0021125) has cross-reference (http://www.geneontology.org/formats/oboInOwl#hasDbXref) \"NCIT:C41009\"^^xsd:string" ; + obo:IAO_0000115 "An annotation property that links an ontology entity or a statement to a prefixed identifier or URI." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-03-18"^^xsd:date ; + rdfs:label "database_cross_reference" , + "has cross-reference" . ### http://www.geneontology.org/formats/oboInOwl#hasExactSynonym @@ -811,7 +975,8 @@ oboInOwl:hasExactSynonym rdf:type owl:AnnotationProperty ; obo:IAO_0000115 "An alternative label for a class or property which has the exact same meaning than the preferred name/primary label." ; obo:IAO_0000117 ; obo:IAO_0000233 "https://github.com/information-artifact-ontology/ontology-metadata/issues/20" ; - rdfs:label "has exact synonym"@en ; + rdfs:label "has exact synonym"@en , + "has_exact_synonym" ; rdfs:seeAlso "https://github.com/information-artifact-ontology/ontology-metadata/issues/20" ; rdfs:subPropertyOf obo:IAO_0000118 . @@ -827,7 +992,13 @@ oboInOwl:hasNarrowSynonym rdf:type owl:AnnotationProperty ; ### http://www.geneontology.org/formats/oboInOwl#hasOBOFormatVersion -oboInOwl:hasOBOFormatVersion rdf:type owl:AnnotationProperty . +oboInOwl:hasOBOFormatVersion rdf:type owl:AnnotationProperty ; + rdfs:label "has_obo_format_version" . + + +### http://www.geneontology.org/formats/oboInOwl#hasOBONamespace +oboInOwl:hasOBONamespace rdf:type owl:AnnotationProperty ; + rdfs:label "has_obo_namespace" . ### http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym @@ -840,16 +1011,40 @@ oboInOwl:hasRelatedSynonym rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf obo:IAO_0000118 . +### http://www.geneontology.org/formats/oboInOwl#hasSynonymType +oboInOwl:hasSynonymType rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#id +oboInOwl:id rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#inSubset oboInOwl:inSubset rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#is_cyclic +oboInOwl:is_cyclic rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#is_inferred +oboInOwl:is_inferred rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#is_transitive +oboInOwl:is_transitive rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#saved-by oboInOwl:saved-by rdf:type owl:AnnotationProperty . -### http://www.w3.org/2000/01/rdf-schema#comment -rdfs:comment rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#shorthand +oboInOwl:shorthand rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#source +oboInOwl:source rdf:type owl:AnnotationProperty . ### http://www.w3.org/2000/01/rdf-schema#isDefinedBy @@ -864,8 +1059,24 @@ rdfs:label rdf:type owl:AnnotationProperty . rdfs:seeAlso rdf:type owl:AnnotationProperty . -### http://www.w3.org/2004/02/skos/core#closeMatch -skos:closeMatch rdf:type owl:AnnotationProperty . +### http://www.w3.org/2004/02/skos/core#altLabel +skos:altLabel rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#definition +skos:definition rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#editorialNote +skos:editorialNote rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#example +skos:example rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#scopeNote +skos:scopeNote rdf:type owl:AnnotationProperty . ### http://xmlns.com/foaf/0.1/homepage @@ -939,53 +1150,52 @@ obo:BFO_0000051 rdf:type owl:ObjectProperty ; A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'."""@en ; obo:IAO_0000118 "has_part"@en ; obo:RO_0001900 obo:RO_0001901 ; + oboInOwl:hasDbXref "BFO:0000051" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "has_part" ; oboInOwl:inSubset obo:valid_for_go_annotation_extension , obo:valid_for_go_ontology , obo:valid_for_gocam ; - rdfs:label "has part"@en . + oboInOwl:is_cyclic "false"^^xsd:boolean ; + oboInOwl:shorthand "has_part" ; + rdfs:label "has part" , + "has part"@en . + + +### http://purl.obolibrary.org/obo/BFO_0000054 +obo:BFO_0000054 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:BFO_0000055 ; + rdfs:domain obo:BFO_0000017 ; + rdfs:range obo:BFO_0000015 ; + obo:IAO_0000111 "realized in"@en ; + obo:IAO_0000112 "this disease is realized in this disease course"@en , + "this fragility is realized in this shattering"@en , + "this investigator role is realized in this investigation"@en ; + obo:IAO_0000118 "is realized by"@en , + "realized_in"@en ; + obo:IAO_0000600 "[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])"@en ; + rdfs:comment "Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process" ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "realized in"@en . ### http://purl.obolibrary.org/obo/BFO_0000055 -obo:BFO_0000055 rdf:type owl:ObjectProperty . - - -### http://purl.obolibrary.org/obo/BFO_0000062 -obo:BFO_0000062 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002086 ; - owl:inverseOf obo:BFO_0000063 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - owl:propertyChainAxiom ( obo:BFO_0000050 - obo:BFO_0000062 - ) ; - obo:IAO_0000111 "preceded by"@en ; - obo:IAO_0000115 "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point."@en ; - obo:IAO_0000116 "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other."@en ; - obo:IAO_0000118 "is preceded by"@en , - "preceded_by"@en ; - dcterms:source "http://www.obofoundry.org/ro/#OBO_REL:preceded_by" ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "preceded by"@en . - - -### http://purl.obolibrary.org/obo/BFO_0000063 -obo:BFO_0000063 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002222 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - owl:propertyChainAxiom ( obo:BFO_0000050 - obo:BFO_0000063 - ) ; - obo:IAO_0000111 "precedes"@en ; - obo:IAO_0000115 "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point."@en ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "precedes"@en . +obo:BFO_0000055 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000015 ; + rdfs:range obo:BFO_0000017 ; + obo:IAO_0000111 "realizes"@en ; + obo:IAO_0000112 "this disease course realizes this disease"@en , + "this investigation realizes this investigator role"@en , + "this shattering realizes this fragility"@en ; + obo:IAO_0000600 "to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])"@en ; + rdfs:comment "Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process" ; + rdfs:isDefinedBy obo:iao.owl ; + rdfs:label "realizes"@en . ### http://purl.obolibrary.org/obo/IAO_0000136 obo:IAO_0000136 rdf:type owl:ObjectProperty ; + rdfs:domain obo:IAO_0000030 ; obo:IAO_0000112 "This document is about information artifacts and their representations"@en ; obo:IAO_0000114 obo:IAO_0000125 ; obo:IAO_0000115 "A (currently) primitive relation that relates an information artifact to an entity."@en ; @@ -1001,77 +1211,103 @@ Some currently missing phenomena that should be considered \"about\" are predica ### http://purl.obolibrary.org/obo/OBI_0000293 obo:OBI_0000293 rdf:type owl:ObjectProperty ; - owl:equivalentProperty [ owl:inverseOf obo:OBI_0000295 - ] ; rdfs:subPropertyOf obo:RO_0000057 ; - obo:IAO_0000111 "has_specified_input" , - "has_specified_input"@en ; + owl:inverseOf obo:OBI_0000295 ; + rdfs:domain obo:OBI_0000011 ; + obo:IAO_0000111 "has specified input" ; obo:IAO_0000112 "see is_input_of example_of_usage"@en ; obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "The inverse property of is_specified_input_of"@en ; + obo:IAO_0000115 "The inverse property of is specified input of"@en ; obo:IAO_0000116 "8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works." ; obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , "PERSON: Bjoern Peters" , "PERSON: Larry Hunter" , "PERSON: Melanie Coutot" ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "has_specified_input"@en . + rdfs:label "has specified input"@en . ### http://purl.obolibrary.org/obo/OBI_0000295 obo:OBI_0000295 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000056 ; - obo:IAO_0000111 "is_specified_input_of" ; + rdfs:range obo:OBI_0000011 ; + obo:IAO_0000111 "is specified input of" ; obo:IAO_0000112 "some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay"@en ; obo:IAO_0000114 obo:IAO_0000122 ; obo:IAO_0000115 "A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of."@en ; obo:IAO_0000117 "Alan Ruttenberg"@en , "PERSON:Bjoern Peters" ; - rdfs:label "is_specified_input_of"@en . + rdfs:label "is specified input of"@en . ### http://purl.obolibrary.org/obo/OBI_0000299 obo:OBI_0000299 rdf:type owl:ObjectProperty ; - owl:equivalentProperty [ owl:inverseOf obo:OBI_0000312 - ] ; rdfs:subPropertyOf obo:RO_0000057 ; - obo:IAO_0000111 "has_specified_output" , - "has_specified_output"@en ; + owl:inverseOf obo:OBI_0000312 ; + rdfs:domain obo:OBI_0000011 ; + obo:IAO_0000111 "has specified output" ; obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "The inverse property of is_specified_output_of"@en ; + obo:IAO_0000115 "The inverse property of is specified output of"@en ; obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , "PERSON: Bjoern Peters" , "PERSON: Larry Hunter" , "PERSON: Melanie Courtot" ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "has_specified_output"@en . + rdfs:label "has specified output"@en . + + +### http://purl.obolibrary.org/obo/OBI_0000304 +obo:OBI_0000304 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000040 ; + rdfs:range obo:OBI_0000835 ; + obo:IAO_0000111 "is_manufactured_by"@en ; + obo:IAO_0000112 "http://www.affymetrix.com/products/arrays/specific/hgu133.affx is_manufactered_by http://www.affymetrix.com/ (if we decide to use these URIs for the actual entities)"@en ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "c is_manufactured_by o means that there was a process p in which c was built in which a person, or set of people or machines did the work(bore the \"Manufacturer Role\", and those people/and or machines were members or of directed by the organization to do this."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en , + "Liju Fan"@en ; + obo:IAO_0000118 "has_make"@en , + "has_manufacturer"@en ; + rdfs:label "is_manufactured_by"@en . ### http://purl.obolibrary.org/obo/OBI_0000312 obo:OBI_0000312 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000056 ; - obo:IAO_0000111 "is_specified_output_of" , - "is_specified_output_of"@en ; + rdfs:range obo:OBI_0000011 ; + obo:IAO_0000111 "is specified output of" ; obo:IAO_0000114 obo:IAO_0000122 ; obo:IAO_0000115 "A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of."@en ; obo:IAO_0000117 "Alan Ruttenberg"@en , "PERSON:Bjoern Peters" ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "is_specified_output_of"@en . + rdfs:label "is specified output of"@en . ### http://purl.obolibrary.org/obo/OBI_0000417 obo:OBI_0000417 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:OBI_0000833 ; + rdfs:domain obo:OBI_0000011 ; + rdfs:range obo:IAO_0000005 ; obo:IAO_0000111 "achieves_planned_objective" ; obo:IAO_0000112 "A cell sorting process achieves the objective specification 'material separation objective'" ; obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process." ; + obo:IAO_0000115 "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process."@en ; obo:IAO_0000117 "BP, AR, PPPB branch" ; obo:IAO_0000119 "PPPB branch derived" ; obo:IAO_0000232 "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch" ; rdfs:label "achieves_planned_objective" . +### http://purl.obolibrary.org/obo/OBI_0000833 +obo:OBI_0000833 rdf:type owl:ObjectProperty ; + rdfs:domain obo:IAO_0000005 ; + rdfs:range obo:OBI_0000011 ; + obo:IAO_0000111 "objective_achieved_by" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process."@en ; + obo:IAO_0000117 "OBI" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "objective_achieved_by" . + + ### http://purl.obolibrary.org/obo/RO_0000052 obo:RO_0000052 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002314 ; @@ -1121,6 +1357,10 @@ obo:RO_0000057 rdf:type owl:ObjectProperty ; rdfs:domain obo:BFO_0000003 ; rdfs:range obo:BFO_0000002 ; owl:propertyChainAxiom ( obo:BFO_0000051 + obo:BFO_0000055 + obo:RO_0000052 + ) , + ( obo:BFO_0000051 obo:RO_0000057 ) ; obo:IAO_0000111 "has participant"@en ; @@ -1134,8 +1374,25 @@ obo:RO_0000057 rdf:type owl:ObjectProperty ; rdfs:label "has participant"@en . +### http://purl.obolibrary.org/obo/RO_0000058 +obo:RO_0000058 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:RO_0000059 ; + rdfs:domain obo:BFO_0000031 ; + rdfs:range obo:BFO_0000020 ; + obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , + "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; + obo:IAO_0000115 "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en ; + rdfs:label "is concretized as"@en . + + ### http://purl.obolibrary.org/obo/RO_0000059 -obo:RO_0000059 rdf:type owl:ObjectProperty . +obo:RO_0000059 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000020 ; + rdfs:range obo:BFO_0000031 ; + obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , + "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; + obo:IAO_0000115 "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en ; + rdfs:label "concretizes"@en . ### http://purl.obolibrary.org/obo/RO_0000079 @@ -1152,19 +1409,6 @@ obo:RO_0000079 rdf:type owl:ObjectProperty ; rdfs:label "function of"@en . -### http://purl.obolibrary.org/obo/RO_0000080 -obo:RO_0000080 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000052 ; - owl:inverseOf obo:RO_0000086 ; - obo:IAO_0000112 "this red color is a quality of this apple"@en ; - obo:IAO_0000115 "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en ; - obo:IAO_0000116 "A quality inheres in its bearer at all times for which the quality exists."@en ; - obo:IAO_0000118 "is quality of"@en , - "quality_of"@en ; - rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; - rdfs:label "quality of"@en . - - ### http://purl.obolibrary.org/obo/RO_0000081 obo:RO_0000081 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000052 ; @@ -1190,17 +1434,6 @@ obo:RO_0000085 rdf:type owl:ObjectProperty ; rdfs:label "has function"@en . -### http://purl.obolibrary.org/obo/RO_0000086 -obo:RO_0000086 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000053 ; - rdfs:range obo:BFO_0000019 ; - obo:IAO_0000112 "this apple has quality this red color"@en ; - obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en ; - obo:IAO_0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en ; - obo:IAO_0000118 "has_quality"@en ; - rdfs:label "has quality"@en . - - ### http://purl.obolibrary.org/obo/RO_0000087 obo:RO_0000087 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000053 ; @@ -1210,180 +1443,14 @@ obo:RO_0000087 rdf:type owl:ObjectProperty ; obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence"@en ; obo:IAO_0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists."@en ; obo:IAO_0000118 "has_role"@en ; - rdfs:label "has role"@en . - - -### http://purl.obolibrary.org/obo/RO_0000091 -obo:RO_0000091 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000053 ; - owl:inverseOf obo:RO_0000092 ; - rdfs:domain obo:BFO_0000004 ; - rdfs:range obo:BFO_0000016 ; - obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence"@en ; - rdfs:label "has disposition"@en . - - -### http://purl.obolibrary.org/obo/RO_0000092 -obo:RO_0000092 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000052 ; - obo:IAO_0000115 "inverse of has disposition" ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; - rdfs:label "disposition of"@en . - - -### http://purl.obolibrary.org/obo/RO_0002013 -obo:RO_0002013 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002017 , - obo:RO_0002334 ; - obo:IAO_0000115 "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:30:46Z"^^xsd:dateTime ; - rdfs:label "has regulatory component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002014 -obo:RO_0002014 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002013 , - obo:RO_0002335 ; - obo:IAO_0000115 "A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:31:01Z"^^xsd:dateTime ; - rdfs:comment "By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'." ; - rdfs:label "has negative regulatory component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002015 -obo:RO_0002015 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002013 , - obo:RO_0002336 ; - obo:IAO_0000115 "A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:31:17Z"^^xsd:dateTime ; - rdfs:comment "By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'." ; - rdfs:label "has positive regulatory component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002017 -obo:RO_0002017 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002018 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:44:33Z"^^xsd:dateTime ; - rdfs:comment "A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B." ; - rdfs:label "has component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002018 -obo:RO_0002018 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002180 ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000115 "w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:49:21Z"^^xsd:dateTime ; - rdfs:label "has component process" . - - -### http://purl.obolibrary.org/obo/RO_0002022 -obo:RO_0002022 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002334 ; - owl:inverseOf obo:RO_0002578 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-17T13:52:24Z"^^xsd:dateTime ; - rdfs:comment "Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2." ; - rdfs:label "directly regulated by" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002022 ; - owl:annotatedProperty rdfs:comment ; - owl:annotatedTarget "Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002023 -obo:RO_0002023 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002022 ; - owl:inverseOf obo:RO_0002630 ; - obo:IAO_0000115 "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-17T13:52:38Z"^^xsd:dateTime ; - rdfs:label "directly negatively regulated by" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002023 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002024 -obo:RO_0002024 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002022 ; - owl:inverseOf obo:RO_0002629 ; - obo:IAO_0000115 "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-17T13:52:47Z"^^xsd:dateTime ; - rdfs:label "directly positively regulated by" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002024 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002025 -obo:RO_0002025 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002017 ; - rdf:type owl:FunctionalProperty ; - obo:IAO_0000115 "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-22T14:14:36Z"^^xsd:dateTime ; - rdfs:comment "This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations." ; - rdfs:label "has effector activity" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002025 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002086 -obo:RO_0002086 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002222 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000117 "David Osumi-Sutherland" ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:comment "X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)"@en ; - rdfs:label "ends after"@en . - - -### http://purl.obolibrary.org/obo/RO_0002087 -obo:RO_0002087 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000062 ; - owl:inverseOf obo:RO_0002090 ; - obo:IAO_0000117 "David Osumi-Sutherland" ; - obo:IAO_0000118 "starts_at_end_of" ; - rdfs:comment "X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)"@en ; - rdfs:label "immediately preceded by"@en . - - -### http://purl.obolibrary.org/obo/RO_0002090 -obo:RO_0002090 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000063 ; - obo:IAO_0000117 , - "David Osumi-Sutherland" ; - obo:IAO_0000118 "ends_at_start_of" , - "meets" ; - obo:RO_0002575 obo:BFO_0000063 ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:comment "X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)"@en ; - rdfs:label "immediately precedes"@en . + oboInOwl:hasDbXref "RO:0000087" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "has_role" ; + oboInOwl:is_cyclic "false"^^xsd:boolean ; + oboInOwl:is_transitive "false"^^xsd:boolean ; + oboInOwl:shorthand "has_role" ; + rdfs:label "has role" , + "has role"@en . ### http://purl.obolibrary.org/obo/RO_0002131 @@ -1393,7 +1460,7 @@ obo:RO_0002131 rdf:type owl:ObjectProperty ; owl:propertyChainAxiom ( obo:BFO_0000050 obo:BFO_0000050 ) , - _:genid16 , + _:genid9 , ( obo:BFO_0000051 obo:RO_0002131 ) , @@ -1409,226 +1476,23 @@ obo:RO_0002131 rdf:type owl:ObjectProperty ; subsets:ro-eco ; rdfs:label "overlaps"@en . -_:genid16 rdf:type rdf:List ; - rdf:first obo:BFO_0000051 ; - rdf:rest ( obo:BFO_0000050 - ) . +_:genid9 rdf:type rdf:List ; + rdf:first obo:BFO_0000051 ; + rdf:rest ( obo:BFO_0000050 + ) . [ rdf:type owl:Axiom ; owl:annotatedSource obo:RO_0002131 ; owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid16 ; - obo:RO_0002582 "true"^^xsd:boolean - ] . - - -### http://purl.obolibrary.org/obo/RO_0002180 -obo:RO_0002180 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000051 ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." ; - obo:IAO_0000116 "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity." ; - obo:IAO_0000232 "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit."@en ; - obo:RO_0001900 obo:RO_0001901 ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "has component"@en ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0002211 -obo:RO_0002211 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 ; - owl:inverseOf obo:RO_0002334 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:BFO_0000015 ; - owl:propertyChainAxiom ( obo:RO_0002211 - obo:RO_0002025 - ) , - ( obo:RO_0002578 - obo:RO_0002578 - ) ; - obo:IAO_0000115 "p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q." ; - obo:IAO_0000117 , - , - ; - obo:IAO_0000119 , - "GO" ; - obo:IAO_0000232 "Regulation precludes parthood; the regulatory process may not be within the regulated process." ; - obo:IAO_0000589 "regulates (processual)" ; - obo:IAO_0000600 "false"^^xsd:boolean ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0002212 -obo:RO_0002212 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0002305 ; - owl:inverseOf obo:RO_0002335 ; - obo:IAO_0000115 "p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "negatively regulates (process to process)" ; - obo:RO_0004050 obo:RO_0002211 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "negatively regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0002213 -obo:RO_0002213 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0002304 ; - owl:inverseOf obo:RO_0002336 ; - rdf:type owl:TransitiveProperty ; - owl:propertyChainAxiom ( obo:RO_0002212 - obo:RO_0002212 - ) ; - obo:IAO_0000115 "p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "positively regulates (process to process)" ; - obo:RO_0004049 obo:RO_0002211 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "positively regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0002215 -obo:RO_0002215 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002216 ; - rdfs:domain obo:BFO_0000004 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000112 "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)" , - "osteoclast SubClassOf 'capable of' some 'bone resorption'" ; - obo:IAO_0000115 "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. " ; - obo:IAO_0000117 ; - obo:IAO_0000118 "has function realized in" ; - obo:IAO_0000119 , - ; - obo:IAO_0000232 "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\"." ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "capable of"@en . - - -### http://purl.obolibrary.org/obo/RO_0002216 -obo:RO_0002216 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 , - obo:RO_0002500 ; - owl:propertyChainAxiom _:genid29 ; - obo:IAO_0000115 "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "has function in" ; - rdfs:label "capable of part of"@en ; - rdfs:seeAlso . - -_:genid29 rdf:type rdf:List ; - rdf:first obo:RO_0002215 ; - rdf:rest ( obo:BFO_0000050 - ) . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002216 ; - owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid29 ; + owl:annotatedTarget _:genid9 ; obo:RO_0002582 "true"^^xsd:boolean ] . -### http://purl.obolibrary.org/obo/RO_0002222 -obo:RO_0002222 rdf:type owl:ObjectProperty ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000232 "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends." ; - dcterms:source "https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1"^^xsd:anyURI ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:comment "A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations." ; - rdfs:label "temporally related to"@en . - - -### http://purl.obolibrary.org/obo/RO_0002233 -obo:RO_0002233 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000057 ; - owl:inverseOf obo:RO_0002352 ; - rdfs:domain obo:BFO_0000015 ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "consumes" ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam , - subsets:ro-eco ; - rdfs:label "has input"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Has_input"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002263 -obo:RO_0002263 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002411 - ) ; - obo:IAO_0000112 "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision." ; - obo:IAO_0000115 "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes." ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of" ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0002264 -obo:RO_0002264 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002500 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002418 - ) ; - obo:IAO_0000112 "A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway." ; - obo:IAO_0000115 "c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process." ; - oboInOwl:hasRelatedSynonym "affects" ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of or within" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002304 -obo:RO_0002304 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 , - obo:RO_0004047 ; - obo:IAO_0000115 "p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q." ; - obo:RO_0004049 obo:RO_0002411 ; - dcterms:creator ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_gocam ; - rdfs:comment "holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y" ; - rdfs:label "causally upstream of, positive effect" ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0002305 -obo:RO_0002305 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 , - obo:RO_0004046 ; - obo:IAO_0000115 "p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q." ; - obo:RO_0004050 obo:RO_0002411 ; - dcterms:creator ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_gocam ; - rdfs:label "causally upstream of, negative effect" ; - rdfs:seeAlso . - - ### http://purl.obolibrary.org/obo/RO_0002314 obo:RO_0002314 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002502 ; - owl:propertyChainAxiom _:genid36 , + owl:propertyChainAxiom _:genid16 , ( obo:RO_0002314 obo:BFO_0000050 ) ; @@ -1641,7 +1505,7 @@ obo:RO_0002314 rdf:type owl:ObjectProperty ; rdfs:label "characteristic of part of"@en ; rdfs:seeAlso . -_:genid36 rdf:type rdf:List ; +_:genid16 rdf:type rdf:List ; rdf:first obo:RO_0000052 ; rdf:rest ( obo:BFO_0000050 ) . @@ -1649,7 +1513,7 @@ _:genid36 rdf:type rdf:List ; [ rdf:type owl:Axiom ; owl:annotatedSource obo:RO_0002314 ; owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid36 ; + owl:annotatedTarget _:genid16 ; obo:RO_0002582 "true"^^xsd:boolean ] . @@ -1663,6638 +1527,27570 @@ obo:RO_0002323 rdf:type owl:ObjectProperty ; rdfs:label "mereotopologically related to"@en . -### http://purl.obolibrary.org/obo/RO_0002327 -obo:RO_0002327 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002215 ; - owl:inverseOf obo:RO_0002333 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:BFO_0000051 - ) , - ( obo:RO_0002327 - obo:RO_0002017 - ) ; - obo:IAO_0000112 "a particular instances of akt-2 enables some instance of protein kinase activity" ; - obo:IAO_0000115 "c enables p iff c is capable of p and c acts to execute p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "catalyzes" , - "executes" , - "has" , - "is catalyzing" , - "is executing" ; - obo:IAO_0000232 "This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized." ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "enables"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Enables"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002328 -obo:RO_0002328 rdf:type owl:ObjectProperty ; - obo:IAO_0000115 "A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities." ; - obo:IAO_0000117 ; - obo:IAO_0000232 "This is a grouping relation that collects relations used for the purpose of connecting structure and function" ; - rdfs:label "functionally related to"@en . +### http://purl.obolibrary.org/obo/RO_0002350 +obo:RO_0002350 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:BFO_0000050 ; + owl:inverseOf obo:RO_0002351 ; + obo:IAO_0000112 "An organism that is a member of a population of organisms" ; + obo:IAO_0000115 "is member of is a mereological relation between a item and a collection." ; + obo:IAO_0000118 "is member of" , + "member part of" ; + obo:IAO_0000119 "SIO" ; + obo:RO_0001900 obo:RO_0001901 ; + rdfs:label "member of"@en . -### http://purl.obolibrary.org/obo/RO_0002329 -obo:RO_0002329 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 ; - owl:propertyChainAxiom _:genid45 ; - obo:IAO_0000115 "this relation holds between c and p when c is part of some c', and c' is capable of p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "false"^^xsd:boolean ; - rdfs:label "part of structure that is capable of"@en . +### http://purl.obolibrary.org/obo/RO_0002351 +obo:RO_0002351 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:BFO_0000051 ; + obo:IAO_0000115 "has member is a mereological relation between a collection and an item." ; + obo:IAO_0000119 "SIO" ; + obo:RO_0001900 obo:RO_0001901 ; + rdfs:label "has member"@en . -_:genid45 rdf:type rdf:List ; - rdf:first obo:BFO_0000050 ; - rdf:rest ( obo:RO_0002215 - ) . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002329 ; - owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid45 ; - obo:RO_0002581 "true"^^xsd:boolean - ] . +### http://purl.obolibrary.org/obo/RO_0002502 +obo:RO_0002502 rdf:type owl:ObjectProperty ; + obo:IAO_0000117 ; + rdfs:label "depends on" ; + rdfs:seeAlso obo:BFO_0000169 . -### http://purl.obolibrary.org/obo/RO_0002331 -obo:RO_0002331 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000056 , - obo:RO_0002431 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:BFO_0000050 - ) , - ( obo:RO_0002331 - obo:BFO_0000050 +### http://purl.obolibrary.org/obo/RO_0010001 +obo:RO_0010001 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:RO_0010002 ; + rdfs:domain obo:BFO_0000031 ; + rdfs:range obo:BFO_0000004 ; + owl:propertyChainAxiom ( obo:RO_0000052 + obo:RO_0000058 ) ; - obo:IAO_0000115 "c involved_in p if and only if c enables some process p', and p' is part of p" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "actively involved in" , - "enables part of" ; - rdfs:label "involved in"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Involved_in"^^xsd:anyURI . + obo:IAO_0000112 "Genetic information generically depend on molecules of DNA." , + "The novel *War and Peace* generically depends on this copy of the novel." , + "The pattern shared by chess boards generically depends on any chess board." , + "The score of a symphony g-depends on a copy of the score." , + "This pdf file generically depends on this server." ; + obo:IAO_0000115 "A generically dependent continuant *b* generically depends on an independent continuant *c* at time *t* means: there inheres in *c* a specifically deendent continuant which concretizes *b* at *t*." ; + obo:IAO_0000119 "[072-ISO]" ; + oboInOwl:hasExactSynonym "g-depends on" ; + rdfs:label "generically depends on" . + + +### http://purl.obolibrary.org/obo/RO_0010002 +obo:RO_0010002 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000004 ; + rdfs:range obo:BFO_0000031 ; + owl:propertyChainAxiom ( obo:RO_0000059 + obo:RO_0000053 + ) ; + obo:IAO_0000112 "Molecules of DNA are carriers of genetic information." , + "This copy of *War and Peace* is carrier of the novel written by Tolstoy." , + "This hard drive is carrier of these data items." ; + obo:IAO_0000115 "*b* is carrier of *c* at time *t* if and only if *c* *g-depends on* *b* at *t*" ; + obo:IAO_0000119 "[072-ISO]" ; + rdfs:label "is carrier of"@en . -### http://purl.obolibrary.org/obo/RO_0002333 -obo:RO_0002333 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000057 , - obo:RO_0002328 ; - obo:IAO_0000115 "inverse of enables" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:valid_for_gocam ; - rdfs:label "enabled by"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Enabled_by"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002334 -obo:RO_0002334 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002427 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000115 "inverse of regulates" ; - obo:IAO_0000117 ; - obo:IAO_0000589 "regulated by (processual)" ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "regulated by"@en . +################################################################# +# Classes +################################################################# +### http://nmrML.org/nmrCV#NMR:0002001 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:CHEBI_23367 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A molecular entity that has a characterized compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-21T15:06:17Z"^^xsd:dateTime ; + rdfs:label "characterized compound"@en . + + +### http://nmrML.org/nmrCV#NMR:0002002 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_51086 ; + obo:IAO_0000115 "A role which inheres in a molecular entity being characterized in an NMR sample using data acquired from an NMR analysis." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-21T15:10:29Z"^^xsd:dateTime ; + rdfs:label "NMR characterized compound role"@en . + + +### http://nmrML.org/nmrCV#NMR:0002003 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A calibration compound that has a chemical shift calibration compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T14:49:21Z"^^xsd:dateTime ; + rdfs:label "chemical shift calibration compound"@en . + + +### http://nmrML.org/nmrCV#NMR:0002005 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_51086 ; + obo:IAO_0000115 "A role which inheres in a molecular entity that produces one or more peaks used to calibrate the NMR spectrometer and/or the spectrum." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:10:11Z"^^xsd:dateTime ; + rdfs:label "NMR calibration compound role"@en . -### http://purl.obolibrary.org/obo/RO_0002335 -obo:RO_0002335 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002334 ; - obo:IAO_0000115 "inverse of negatively regulates" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "negatively regulated by"@en . - +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget obo:CHEBI_51086 ; + rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds."@en ; + rdfs:isDefinedBy + ] . -### http://purl.obolibrary.org/obo/RO_0002336 -obo:RO_0002336 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002334 ; - obo:IAO_0000115 "inverse of positively regulates" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "positively regulated by"@en . +### http://nmrML.org/nmrCV#NMR:0002006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A role which inheres in a calibration compound that produces one or more peaks used for chemical shift calibration." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:12:21Z"^^xsd:dateTime ; + rdfs:label "NMR chemical shift calibration compound role"@en . -### http://purl.obolibrary.org/obo/RO_0002351 -obo:RO_0002351 rdf:type owl:ObjectProperty . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds." ; + rdfs:isDefinedBy + ] . -### http://purl.obolibrary.org/obo/RO_0002352 -obo:RO_0002352 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000056 , - obo:RO_0002328 ; - obo:IAO_0000115 "inverse of has input" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:RO_0002259 , - subsets:ro-eco ; - rdfs:label "input of"@en . +### http://nmrML.org/nmrCV#NMR:0002007 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A role which inheres in a calibration compound of a known concentration that produces one or more peaks used to calibrate a spectrum for quantification." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:15:36Z"^^xsd:dateTime ; + rdfs:label "NMR concentration calibration compound role"@en . -### http://purl.obolibrary.org/obo/RO_0002404 -obo:RO_0002404 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000062 , - obo:RO_0002427 ; - owl:inverseOf obo:RO_0002411 ; - obo:IAO_0000114 obo:IAO_0000428 ; - obo:IAO_0000115 "inverse of upstream of" ; - obo:IAO_0000117 ; - rdfs:label "causally downstream of"@en . +### http://nmrML.org/nmrCV#NMR:0002008 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 3H spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted." ; + rdfs:label "3H spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 3H spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002405 -obo:RO_0002405 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002087 , - obo:RO_0002404 ; - owl:inverseOf obo:RO_0002412 ; - obo:IAO_0000114 obo:IAO_0000428 ; - obo:IAO_0000117 ; - rdfs:label "immediately causally downstream of"@en . +### http://nmrML.org/nmrCV#NMR:0002082 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 3He spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T18:14:29Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3He spectra. The children of this class were manually asserted." ; + rdfs:label "3He spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002407 -obo:RO_0002407 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002213 , - obo:RO_0012012 ; - rdf:type owl:TransitiveProperty ; - owl:propertyChainAxiom ( obo:RO_0002407 - obo:RO_0002629 - ) , - ( obo:RO_0002409 - obo:RO_0002409 - ) , - ( obo:RO_0002629 - obo:RO_0002407 - ) , - ( obo:RO_0002629 - obo:RO_0002629 - ) ; - obo:IAO_0000115 "p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "indirectly activates" ; - obo:RO_0002579 obo:RO_0002213 ; - rdfs:label "indirectly positively regulates"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Indirectly_positively_regulates"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002409 -obo:RO_0002409 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002212 , - obo:RO_0012012 ; - rdf:type owl:TransitiveProperty ; - owl:propertyChainAxiom ( obo:RO_0002409 - obo:RO_0002630 - ) , - ( obo:RO_0002630 - obo:RO_0002409 - ) , - ( obo:RO_0002630 - obo:RO_0002630 - ) ; - obo:IAO_0000115 "p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "indirectly inhibits" ; - obo:RO_0002579 obo:RO_0002212 ; - rdfs:label "indirectly negatively regulates"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Indirectly_negatively_regulates"^^xsd:anyURI . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 3He spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002410 -obo:RO_0002410 rdf:type owl:ObjectProperty ; - obo:IAO_0000115 "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause." ; - obo:IAO_0000116 """This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. +### http://nmrML.org/nmrCV#NMR:0002083 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 19F spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 19F spectra. The children of this class were manually asserted." ; + rdfs:label "19F spectrum chemical shift reference compound"@en . -To define causal relations in an activity-flow type network, we make use of 3 primitives: +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 19F spectra according to IUPAC recommendations." ; + dcterms:source ; + rdfs:comment + ] . - * Temporal: how do the intervals of the two occurrents relate? - * Is the causal relation regulatory? - * Is the influence positive or negative? -The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. +### http://nmrML.org/nmrCV#NMR:0002084 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 29Si spectra. The children of this class were manually asserted." ; + rdfs:label "29Si spectrum chemical shift reference compound"@en . -For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. -Each of these 3 primitives can be composed to yield a cross-product of different relation types.""" ; - obo:IAO_0000117 ; - obo:IAO_0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - rdfs:label "causally related to"@en . +### http://nmrML.org/nmrCV#NMR:0002085 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 57Fe spectra. The children of this class were manually asserted." ; + rdfs:label "57Fe spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002410 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause." ; - oboInOwl:hasDbXref "https://en.wikipedia.org/wiki/Causality" + owl:annotatedTarget "A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations." ; + dcterms:source , + ] . -### http://purl.obolibrary.org/obo/RO_0002411 -obo:RO_0002411 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000063 , - obo:RO_0002418 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000115 "p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q." ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_gocam ; - rdfs:label "causally upstream of"@en . - +### http://nmrML.org/nmrCV#NMR:0002086 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 77Se spectra. The children of this class were manually asserted." ; + rdfs:label "77Se spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002412 -obo:RO_0002412 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002090 , - obo:RO_0002411 ; - obo:IAO_0000115 "p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q." ; - obo:IAO_0000117 ; - obo:RO_0002575 obo:RO_0002411 ; - rdfs:label "immediately causally upstream of"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002418 -obo:RO_0002418 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002501 ; - owl:inverseOf obo:RO_0002427 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000115 "p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q." ; - obo:IAO_0000116 "We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "influences (processual)" ; - oboInOwl:hasRelatedSynonym "affects" ; - rdfs:label "causally upstream of or within" . +### http://nmrML.org/nmrCV#NMR:0002087 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 89Y spectra. The children of this class were manually asserted." ; + rdfs:label "89Y spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002427 -obo:RO_0002427 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002501 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000115 "inverse of causally upstream of or within" ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "causally downstream of or within" . +### http://nmrML.org/nmrCV#NMR:0002088 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 103Rh spectra. The children of this class were manually asserted." ; + rdfs:label "103Rh spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002428 -obo:RO_0002428 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002263 , - obo:RO_0002431 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002211 - ) , - ( obo:RO_0002331 - obo:RO_0002211 - ) ; - obo:IAO_0000115 "c involved in regulation of p if c is involved in some p' and p' regulates some p" ; - obo:IAO_0000117 ; - rdfs:label "involved in regulation of" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002429 -obo:RO_0002429 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002428 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002213 - ) , - ( obo:RO_0002331 - obo:RO_0002213 - ) ; - obo:IAO_0000115 "c involved in regulation of p if c is involved in some p' and p' positively regulates some p" ; - obo:IAO_0000117 ; - obo:RO_0004049 obo:RO_0002428 ; - rdfs:label "involved in positive regulation of" . +### http://nmrML.org/nmrCV#NMR:0002089 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 107Ag spectra. The children of this class were manually asserted." ; + rdfs:label "107Ag spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002430 -obo:RO_0002430 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002428 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002212 - ) , - ( obo:RO_0002331 - obo:RO_0002212 - ) ; - obo:IAO_0000115 "c involved in regulation of p if c is involved in some p' and p' negatively regulates some p" ; - obo:IAO_0000117 ; - obo:RO_0004050 obo:RO_0002428 ; - rdfs:label "involved in negative regulation of" . +### http://nmrML.org/nmrCV#NMR:0002090 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 109Ag spectra. The children of this class were manually asserted." ; + rdfs:label "109Ag spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002431 -obo:RO_0002431 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 , - obo:RO_0002328 , - obo:RO_0002500 ; - obo:IAO_0000115 "c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p" ; - obo:IAO_0000116 "OWL does not allow defining object properties via a Union" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "involved in or reguates" ; - rdfs:label "involved in or involved in regulation of" . - - -### http://purl.obolibrary.org/obo/RO_0002434 -obo:RO_0002434 rdf:type owl:ObjectProperty , - owl:SymmetricProperty ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - obo:IAO_0000115 "A relationship that holds between two entities in which the processes executed by the two entities are causally connected." ; - obo:IAO_0000116 "This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact." , - "Considering relabeling as 'pairwise interacts with'"^^xsd:anyURI ; - obo:IAO_0000117 ; - obo:IAO_0000232 "Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules." ; - oboInOwl:hasExactSynonym "in pairwise interaction with" ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "interacts with" ; - rdfs:seeAlso "http://purl.obolibrary.org/obo/ro/docs/interaction-relations/"^^xsd:anyURI ; - skos:closeMatch "http://purl.obolibrary.org/obo/MI_0914"^^xsd:anyURI . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations." ; + dce:source ; + dcterms:source + ] . -### http://purl.obolibrary.org/obo/RO_0002436 -obo:RO_0002436 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002434 ; - rdf:type owl:SymmetricProperty ; - obo:IAO_0000115 "An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "binds" , - "molecularly binds with" ; - rdfs:label "molecularly interacts with" ; - rdfs:seeAlso obo:ECO_0000353 ; - skos:closeMatch "http://purl.obolibrary.org/obo/MI_0915"^^xsd:anyURI . +### http://nmrML.org/nmrCV#NMR:0002091 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 111Cd spectra. The children of this class were manually asserted." ; + rdfs:label "111Cd spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002447 -obo:RO_0002447 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002436 ; - obo:IAO_0000116 "Axiomatization to GO to be added later" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y." ; - rdfs:label "phosphorylates" . - - -### http://purl.obolibrary.org/obo/RO_0002448 -obo:RO_0002448 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002436 , - obo:RO_0011002 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002211 - obo:RO_0002333 - ) ; - obo:IAO_0000115 """The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. - -A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B.""" ; - obo:IAO_0000117 , - ; - oboInOwl:hasExactSynonym "molecularly controls" ; - rdfs:label "directly regulates activity of" . - - -### http://purl.obolibrary.org/obo/RO_0002449 -obo:RO_0002449 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002448 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002630 - obo:RO_0002333 - ) ; - obo:IAO_0000115 """The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B.""" ; - obo:IAO_0000117 , - ; - obo:IAO_0000118 "directly inhibits" ; - oboInOwl:hasExactSynonym "molecularly decreases activity of" ; - rdfs:label "directly negatively regulates activity of" . - - -### http://purl.obolibrary.org/obo/RO_0002450 -obo:RO_0002450 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002448 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002629 - obo:RO_0002333 - ) ; - obo:IAO_0000115 """The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B.""" ; - obo:IAO_0000117 , - ; - obo:IAO_0000118 "directly activates" ; - oboInOwl:hasExactSynonym "molecularly increases activity of" ; - rdfs:label "directly positively regulates activity of" . +### http://nmrML.org/nmrCV#NMR:0002092 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113Cd spectra. The children of this class were manually asserted." ; + rdfs:label "113Cd spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002464 -obo:RO_0002464 rdf:type owl:ObjectProperty ; - obo:IAO_0000117 ; - obo:IAO_0000232 "This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning." ; - rdfs:label "helper property (not for use in curation)" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002481 -obo:RO_0002481 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002564 ; - obo:IAO_0000117 ; - rdfs:label "is kinase activity" . +### http://nmrML.org/nmrCV#NMR:0002093 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115Sn spectra. The children of this class were manually asserted." ; + rdfs:label "115Sn spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002500 -obo:RO_0002500 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002595 ; - owl:inverseOf obo:RO_0002608 ; - obo:IAO_0000115 "A relationship between a material entity and a process where the material entity has some causal role that influences the process" ; - obo:IAO_0000119 ; - rdfs:label "causal agent in process" . +### http://nmrML.org/nmrCV#NMR:0002094 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 117Sn spectra. The children of this class were manually asserted." ; + rdfs:label "117Sn spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002501 -obo:RO_0002501 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - obo:IAO_0000115 "p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - rdfs:label "causal relation between processes" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002502 -obo:RO_0002502 rdf:type owl:ObjectProperty ; - obo:IAO_0000117 ; - rdfs:label "depends on" ; - rdfs:seeAlso obo:BFO_0000169 . +### http://nmrML.org/nmrCV#NMR:0002095 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 119Sn spectra. The children of this class were manually asserted." ; + rdfs:label "119Sn spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002506 -obo:RO_0002506 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000002 ; - rdfs:range obo:BFO_0000002 ; - obo:IAO_0000116 "The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch" ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - rdfs:label "causal relation between entities" . +### http://nmrML.org/nmrCV#NMR:0002096 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Te spectra. The children of this class were manually asserted." ; + rdfs:label "123Te spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002559 -obo:RO_0002559 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002506 ; - owl:inverseOf obo:RO_0002566 ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "causally influenced by (entity-centric)" ; - rdfs:label "causally influenced by" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002563 -obo:RO_0002563 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002464 ; - obo:IAO_0000117 ; - rdfs:label "interaction relation helper property" ; - rdfs:seeAlso , - "http://purl.obolibrary.org/obo/ro/docs/interaction-relations/"^^xsd:anyURI . +### http://nmrML.org/nmrCV#NMR:0002097 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 125Te spectra. The children of this class were manually asserted." ; + rdfs:label "125Te spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002564 -obo:RO_0002564 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002563 ; - obo:IAO_0000117 ; - rdfs:label "molecular interaction relation helper property" . +### http://nmrML.org/nmrCV#NMR:0002098 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 129Xe spectra. The children of this class were manually asserted." ; + rdfs:label "129Xe spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002566 -obo:RO_0002566 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002506 ; - rdfs:domain obo:BFO_0000002 ; - rdfs:range obo:BFO_0000002 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002411 - obo:RO_0002233 - ) , - ( obo:RO_0002327 - obo:RO_0002411 - obo:RO_0002333 - ) ; - obo:IAO_0000115 "The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size)." ; - obo:IAO_0000117 , - ; - obo:IAO_0000119 ; - obo:IAO_0000589 "causally influences (entity-centric)" ; - rdfs:label "causally influences" . - - -### http://purl.obolibrary.org/obo/RO_0002578 -obo:RO_0002578 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0002412 ; - obo:IAO_0000115 "p directly regulates q iff p is immediately causally upstream of q and p regulates q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "directly regulates (processual)" ; - obo:RO_0002575 obo:RO_0002211 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "directly regulates" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002584 -obo:RO_0002584 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 , - obo:RO_0002595 ; - owl:propertyChainAxiom ( obo:BFO_0000051 - obo:RO_0002215 - ) ; - obo:IAO_0000112 "gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'" ; - obo:IAO_0000115 "s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p" ; - obo:IAO_0000117 ; - rdfs:label "has part structure that is capable of" . +### http://nmrML.org/nmrCV#NMR:0002099 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 183W spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 183W spectra. The children of this class were manually asserted." ; + rdfs:label "183W spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 183W spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002595 -obo:RO_0002595 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000115 "A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity." ; - obo:IAO_0000116 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - rdfs:label "causal relation between material entity and a process" . +### http://nmrML.org/nmrCV#NMR:0002100 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Os spectra. The children of this class were manually asserted." ; + rdfs:label "187Os spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002596 -obo:RO_0002596 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002500 ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002211 - ) ; - obo:IAO_0000112 "pyrethroid -> growth" ; - obo:IAO_0000115 "Holds between c and p if and only if c is capable of some activity a, and a regulates p." ; - obo:IAO_0000119 ; - rdfs:label "capable of regulating" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002597 -obo:RO_0002597 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002596 ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002212 - ) ; - obo:IAO_0000115 "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p." ; - obo:IAO_0000119 ; - rdfs:label "capable of negatively regulating" . +### http://nmrML.org/nmrCV#NMR:0002101 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 195Pt spectra. The children of this class were manually asserted." ; + rdfs:label "195Pt spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002598 -obo:RO_0002598 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002596 ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002213 - ) ; - obo:IAO_0000112 "renin -> arteriolar smooth muscle contraction" ; - obo:IAO_0000115 "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p." ; - obo:IAO_0000119 ; - rdfs:label "capable of positively regulating" . - - -### http://purl.obolibrary.org/obo/RO_0002608 -obo:RO_0002608 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - obo:IAO_0000115 "Inverse of 'causal agent in process'" ; - obo:IAO_0000119 ; - rdfs:label "process has causal agent" . - - -### http://purl.obolibrary.org/obo/RO_0002629 -obo:RO_0002629 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002213 , - obo:RO_0002578 ; - obo:IAO_0000115 "p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q." ; - obo:IAO_0000119 ; - obo:IAO_0000589 "directly positively regulates (process to process)" ; - obo:RO_0004049 obo:RO_0002578 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "directly positively regulates" ; - rdfs:seeAlso "https://wiki.geneontology.org/Directly_positively_regulates"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002630 -obo:RO_0002630 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002212 , - obo:RO_0002578 ; - obo:IAO_0000115 "p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q." ; - obo:IAO_0000119 ; - obo:IAO_0000589 "directly negatively regulates (process to process)" ; - obo:RO_0004050 obo:RO_0002578 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "directly negatively regulates" ; - rdfs:seeAlso "https://wiki.geneontology.org/Directly_negatively_regulates"^^xsd:anyURI . +### http://nmrML.org/nmrCV#NMR:0002102 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 199Hg spectra. The children of this class were manually asserted." ; + rdfs:label "199Hg spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0004031 -obo:RO_0004031 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:BFO_0000051 - ) ; - obo:IAO_0000115 "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-25T23:20:13Z"^^xsd:dateTime ; - rdfs:label "enables subfunction" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0004032 -obo:RO_0004032 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0004047 - ) ; - obo:RO_0004049 obo:RO_0002264 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:49:30Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of or within, positive effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004033 -obo:RO_0004033 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0004046 - ) ; - obo:RO_0004050 obo:RO_0002264 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:49:51Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of or within, negative effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004034 -obo:RO_0004034 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002263 , - obo:RO_0004032 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002304 - ) ; - obo:IAO_0000115 "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive" ; - obo:RO_0004049 obo:RO_0002263 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:53:14Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of, positive effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_positive_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004035 -obo:RO_0004035 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002263 , - obo:RO_0004033 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002305 - ) ; - obo:IAO_0000115 "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative" ; - obo:RO_0004050 obo:RO_0002263 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:53:22Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of, negative effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_negative_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004046 -obo:RO_0004046 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002418 ; - obo:RO_0004050 obo:RO_0002418 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-03-13T23:55:05Z"^^xsd:dateTime ; - rdfs:label "causally upstream of or within, negative effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004047 -obo:RO_0004047 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002418 ; - obo:RO_0004049 obo:RO_0002418 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-03-13T23:55:19Z"^^xsd:dateTime ; - rdfs:label "causally upstream of or within, positive effect" ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0011002 -obo:RO_0011002 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002566 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - obo:IAO_0000115 "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B." ; - obo:IAO_0000117 ; - rdfs:label "regulates activity of" . - - -### http://purl.obolibrary.org/obo/RO_0012011 -obo:RO_0012011 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 ; - obo:IAO_0000115 "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2022-09-26T06:07:17Z"^^xsd:dateTime ; - rdfs:label "indirectly causally upstream of"@en . - - -### http://purl.obolibrary.org/obo/RO_0012012 -obo:RO_0012012 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0012011 ; - obo:IAO_0000115 "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2022-09-26T06:08:01Z"^^xsd:dateTime ; - rdfs:label "indirectly regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0017001 -obo:RO_0017001 rdf:type owl:ObjectProperty ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002233 - ) ; - obo:IAO_0000112 "A diagnostic testing device utilizes a specimen." ; - obo:IAO_0000115 "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y." ; - obo:IAO_0000117 , - ; - obo:IAO_0000232 "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input." , - "See github ticket https://github.com/oborel/obo-relations/issues/497" ; - oboInOwl:creation_date "2021-11-08T12:00:00Z"^^xsd:dateTime ; - oboInOwl:hasBroadSynonym "utilizes" ; - rdfs:label "device utilizes material"@en . - - -### http://purl.obolibrary.org/obo/RO_0019000 -obo:RO_0019000 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:PATO_0000001 ; - owl:propertyChainAxiom ( obo:RO_0002211 - obo:RO_0019000 - ) ; - obo:IAO_0000115 "A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C." ; - dcterms:contributor ; - rdfs:label "regulates characteristic" . +### http://nmrML.org/nmrCV#NMR:0002103 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 203Ti spectra. The children of this class were manually asserted." ; + rdfs:label "203Ti spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0019001 -obo:RO_0019001 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0019000 ; - owl:propertyChainAxiom ( obo:RO_0002213 - obo:RO_0019001 - ) ; - obo:IAO_0000115 "A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C." ; - dcterms:contributor ; - rdfs:label "positively regulates characteristic" . +### http://nmrML.org/nmrCV#NMR:0002104 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 205Ti spectra. The children of this class were manually asserted." ; + rdfs:label "205Ti spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0019002 -obo:RO_0019002 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0019000 ; - owl:propertyChainAxiom ( obo:RO_0002212 - obo:RO_0019001 - ) , - ( obo:RO_0002213 - obo:RO_0019002 - ) ; - obo:IAO_0000115 "A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C." ; - dcterms:contributor ; - rdfs:label "negatively regulates characteristic" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -################################################################# -# Classes -################################################################# +### http://nmrML.org/nmrCV#NMR:0002105 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 207Pb spectra. The children of this class were manually asserted." ; + rdfs:label "207Pb spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/APOLLO_SV_00000796 -obo:APOLLO_SV_00000796 rdf:type owl:Class . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/BFO_0000001 -obo:BFO_0000001 rdf:type owl:Class ; - rdfs:subClassOf owl:Thing ; - obo:BFO_0000179 "entity" ; - obo:BFO_0000180 "Entity" ; - obo:IAO_0000112 "Julius Caesar"@en , - "Verdi’s Requiem"@en , - "the Second World War"@en , - "your body mass index"@en ; - obo:IAO_0000116 "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81"@en , - "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; - obo:IAO_0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "entity"@en . +### http://nmrML.org/nmrCV#NMR:0002106 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 59Co spectra. The children of this class were manually asserted." ; + rdfs:label "59Co spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000001 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" ; - rdfs:seeAlso + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002107 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 55Mn spectra. The children of this class were manually asserted." ; + rdfs:label "55Mn spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000001 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000002 -obo:BFO_0000002 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000001 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000002 - ] ; - owl:disjointWith obo:BFO_0000003 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:someValuesFrom obo:BFO_0000003 - ] ; - obo:BFO_0000179 "continuant" ; - obo:BFO_0000180 "Continuant" ; - obo:IAO_0000115 "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en ; - obo:IAO_0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , - "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; - obo:IAO_0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; - obo:IAO_0000601 "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en , - "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en , - "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; - obo:IAO_0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " , - "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " , - "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " , - "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "continuant"@en . +### http://nmrML.org/nmrCV#NMR:0002108 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 53Cr spectra. The children of this class were manually asserted." ; + rdfs:label "53Cr spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations." ; + dcterms:source ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; - obo:IAO_0010000 - ] . + +### http://nmrML.org/nmrCV#NMR:0002109 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 51V spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 51V spectra. The children of this class were manually asserted." ; + rdfs:label "51V spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 51V spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002110 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 50V spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 50V spectra. The children of this class were manually asserted." ; + rdfs:label "50V spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 50V spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002111 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 49Ti spectra. The children of this class were manually asserted." ; + rdfs:label "49Ti spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002112 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 47Ti spectra. The children of this class were manually asserted." ; + rdfs:label "47Ti spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002113 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 45Sc spectra. The children of this class were manually asserted." ; + rdfs:label "45Sc spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002114 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 43Ca spectra. The children of this class were manually asserted." ; + rdfs:label "43Ca spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002115 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 41K spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 41K spectra. The children of this class were manually asserted." ; + rdfs:label "41K spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 41K spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000003 -obo:BFO_0000003 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000001 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000003 - ] ; - owl:disjointWith [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:someValuesFrom obo:BFO_0000002 - ] ; - obo:BFO_0000179 "occurrent" ; - obo:BFO_0000180 "Occurrent" ; - obo:IAO_0000115 "An entity that has temporal parts and that happens, unfolds or develops through time."@en ; - obo:IAO_0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , - "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , - "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , - "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; - obo:IAO_0000600 "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; - obo:IAO_0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en , - "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " , - "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "occurrent"@en . +### http://nmrML.org/nmrCV#NMR:0002116 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 40K spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 40K spectra. The children of this class were manually asserted." ; + rdfs:label "40K spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 40K spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002117 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 39K spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 39K spectra. The children of this class were manually asserted." ; + rdfs:label "39K spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 39K spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002118 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 37Cl spectra. The children of this class were manually asserted." ; + rdfs:label "37Cl spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002119 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 35Cl spectra. The children of this class were manually asserted." ; + rdfs:label "35Cl spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002120 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 33S spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 33S spectra. The children of this class were manually asserted." ; + rdfs:label "33S spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 33S spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002121 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 27Al spectra. The children of this class were manually asserted." ; + rdfs:label "27Al spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002122 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 25Mg spectra. The children of this class were manually asserted." ; + rdfs:label "25Mg spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000004 -obo:BFO_0000004 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000002 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000004 - ] ; - owl:disjointWith obo:BFO_0000020 , - obo:BFO_0000031 ; - obo:BFO_0000179 "ic" ; - obo:BFO_0000180 "IndependentContinuant" ; - obo:IAO_0000112 "a chair"@en , - "a heart"@en , - "a leg"@en , - "a molecule"@en , - "a spatial region"@en , - "an atom"@en , - "an orchestra."@en , - "an organism"@en , - "the bottom right portion of a human torso"@en , - "the interior of your mouth"@en ; - obo:IAO_0000115 "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; - obo:IAO_0000601 "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en , - "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; - obo:IAO_0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , - "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , - "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; - rdfs:comment "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything."@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "independent continuant"@en . +### http://nmrML.org/nmrCV#NMR:0002123 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 23Na spectra. The children of this class were manually asserted." ; + rdfs:label "23Na spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002124 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted." ; + rdfs:label "21Ne spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002125 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 17O spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 17O spectra. The children of this class were manually asserted." ; + rdfs:label "17O spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 17O spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002126 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 14N spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 14N spectra. The children of this class were manually asserted." ; + rdfs:label "14N spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 14N spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002127 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 11B spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 11B spectra. The children of this class were manually asserted." ; + rdfs:label "11B spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 11B spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002128 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 10B spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 10B spectra. The children of this class were manually asserted." ; + rdfs:label "10B spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 10B spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000006 -obo:BFO_0000006 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000141 ; - owl:disjointWith obo:BFO_0000029 , - obo:BFO_0000140 ; - obo:BFO_0000179 "s-region" ; - obo:BFO_0000180 "SpatialRegion" ; - obo:IAO_0000116 "BFO 2 Reference: Spatial regions do not participate in processes."@en , - "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; - obo:IAO_0000600 "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; - obo:IAO_0000601 "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; - obo:IAO_0000602 "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " , - "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "spatial region"@en . +### http://nmrML.org/nmrCV#NMR:0002130 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted." ; + rdfs:label "9Be spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002131 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-26T16:16:31Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 7Li spectra. The children of this class were manually asserted." ; + rdfs:label "7Li spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002132 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 6Li spectra. The children of this class were manually asserted." ; + rdfs:label "6Li spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002133 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 61Ni spectra. The children of this class were manually asserted." ; + rdfs:label "61Ni spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002134 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 63Cu spectra. The children of this class were manually asserted." ; + rdfs:label "63Cu spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000008 -obo:BFO_0000008 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - owl:disjointWith obo:BFO_0000011 , - obo:BFO_0000015 , - obo:BFO_0000035 ; - obo:BFO_0000179 "t-region" ; - obo:BFO_0000180 "TemporalRegion" ; - obo:IAO_0000116 "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; - obo:IAO_0000600 "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; - obo:IAO_0000601 "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en , - "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; - obo:IAO_0000602 "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " , - "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " , - "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "temporal region"@en . +### http://nmrML.org/nmrCV#NMR:0002135 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 65Cu spectra. The children of this class were manually asserted." ; + rdfs:label "65Cu spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002136 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 67Zn spectra. The children of this class were manually asserted." ; + rdfs:label "67Zn spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002137 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 69Ga spectra. The children of this class were manually asserted." ; + rdfs:label "69Ga spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002138 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 71Ga spectra. The children of this class were manually asserted." ; + rdfs:label "71Ga spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002139 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 73Ge spectra. The children of this class were manually asserted." ; + rdfs:label "73Ge spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002140 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 75As spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 75As spectra. The children of this class were manually asserted." ; + rdfs:label "75As spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 75As spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002141 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 79Br spectra. The children of this class were manually asserted." ; + rdfs:label "79Br spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000009 -obo:BFO_0000009 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - owl:disjointWith obo:BFO_0000028 ; - obo:BFO_0000179 "2d-s-region" ; - obo:BFO_0000180 "TwoDimensionalSpatialRegion" ; - obo:IAO_0000112 "an infinitely thin plane in space."@en , - "the surface of a sphere-shaped part of space"@en ; - obo:IAO_0000600 "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "two-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:0002142 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 81Br spectra. The children of this class were manually asserted." ; + rdfs:label "81Br spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000009 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002143 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 83Kr spectra. The children of this class were manually asserted." ; + rdfs:label "83Kr spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000009 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000011 -obo:BFO_0000011 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - obo:BFO_0000179 "st-region" ; - obo:BFO_0000180 "SpatiotemporalRegion" ; - obo:IAO_0000112 "the spatiotemporal region occupied by a human life"@en , - "the spatiotemporal region occupied by a process of cellular meiosis."@en , - "the spatiotemporal region occupied by the development of a cancer tumor"@en ; - obo:IAO_0000600 "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; - obo:IAO_0000601 "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en , - "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en , - "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en , - "Every spatiotemporal region occupies_spatiotemporal_region itself."@en , - "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; - obo:IAO_0000602 "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " , - "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " , - "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " , - "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " , - "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "spatiotemporal region"@en . +### http://nmrML.org/nmrCV#NMR:0002144 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 85Rb spectra. The children of this class were manually asserted." ; + rdfs:label "85Rb spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002145 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Rb spectra. The children of this class were manually asserted." ; + rdfs:label "87Rb spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002146 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 91Zr spectra. The children of this class were manually asserted." ; + rdfs:label "91Zr spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002147 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 93Nb spectra. The children of this class were manually asserted." ; + rdfs:label "93Nb spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002148 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 95Mo spectra. The children of this class were manually asserted." ; + rdfs:label "95Mo spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002149 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 97Mo spectra. The children of this class were manually asserted." ; + rdfs:label "97Mo spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002150 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Tc spectra. The children of this class were manually asserted." ; + rdfs:label "99Tc spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002151 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Ru spectra. The children of this class were manually asserted." ; + rdfs:label "99Ru spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002152 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 101Ru spectra. The children of this class were manually asserted." ; + rdfs:label "101Ru spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002153 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 105Pd spectra. The children of this class were manually asserted." ; + rdfs:label "105Pd spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000015 -obo:BFO_0000015 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - obo:BFO_0000179 "process" ; - obo:BFO_0000180 "Process" ; - obo:IAO_0000112 "a process of cell-division, \\ a beating of the heart"@en , - "a process of meiosis"@en , - "a process of sleeping"@en , - "the course of a disease"@en , - "the flight of a bird"@en , - "the life of an organism"@en , - "your process of aging."@en ; - obo:IAO_0000115 "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; - obo:IAO_0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; - obo:IAO_0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; - rdfs:comment "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "process"@en . +### http://nmrML.org/nmrCV#NMR:0002154 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 113In spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113In spectra. The children of this class were manually asserted." ; + rdfs:label "113In spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000015 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 113In spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002155 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 115In spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115In spectra. The children of this class were manually asserted." ; + rdfs:label "115In spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000015 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 115In spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000016 -obo:BFO_0000016 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000017 ; - owl:disjointWith obo:BFO_0000023 ; - obo:BFO_0000179 "disposition" ; - obo:BFO_0000180 "Disposition" ; - obo:IAO_0000112 "an atom of element X has the disposition to decay to an atom of element Y"@en , - "certain people have a predisposition to colon cancer"@en , - "children are innately disposed to categorize objects in certain ways."@en , - "the cell wall is disposed to filter chemicals in endocytosis and exocytosis"@en ; - obo:IAO_0000116 "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type."@en ; - obo:IAO_0000600 "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; - obo:IAO_0000601 "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; - obo:IAO_0000602 "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " , - "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "disposition"@en . +### http://nmrML.org/nmrCV#NMR:0002156 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 121Sb spectra. The children of this class were manually asserted." ; + rdfs:label "121Sb spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002157 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Sb spectra. The children of this class were manually asserted." ; + rdfs:label "123Sb spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002158 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 127I spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 127I spectra. The children of this class were manually asserted." ; + rdfs:label "127I spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 127I spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002159 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 131Xe spectra. The children of this class were manually asserted." ; + rdfs:label "131Xe spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000017 -obo:BFO_0000017 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000020 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000017 - ] ; - owl:disjointWith obo:BFO_0000019 ; - obo:BFO_0000179 "realizable" ; - obo:BFO_0000180 "RealizableEntity" ; - obo:IAO_0000112 "the disposition of this piece of metal to conduct electricity."@en , - "the disposition of your blood to coagulate"@en , - "the function of your reproductive organs"@en , - "the role of being a doctor"@en , - "the role of this boundary to delineate where Utah and Colorado meet"@en ; - obo:IAO_0000115 "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en ; - obo:IAO_0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; - obo:IAO_0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; - obo:IAO_0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , - "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "realizable entity"@en . +### http://nmrML.org/nmrCV#NMR:0002160 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 133Cs spectra. The children of this class were manually asserted." ; + rdfs:label "133Cs spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002161 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 135Ba spectra. The children of this class were manually asserted." ; + rdfs:label "135Ba spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002162 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 137Ba spectra. The children of this class were manually asserted." ; + rdfs:label "137Ba spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002163 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 138La spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 138La spectra. The children of this class were manually asserted." ; + rdfs:label "138La spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 138La spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000018 -obo:BFO_0000018 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - owl:disjointWith obo:BFO_0000028 ; - obo:BFO_0000179 "0d-s-region" ; - obo:BFO_0000180 "ZeroDimensionalSpatialRegion" ; - obo:IAO_0000600 "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "zero-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:0002164 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 139La spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 139La spectra. The children of this class were manually asserted." ; + rdfs:label "139La spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000018 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 139La spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002165 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 177Hf spectra. The children of this class were manually asserted." ; + rdfs:label "177Hf spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000018 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000019 -obo:BFO_0000019 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000020 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000019 - ] ; - obo:BFO_0000179 "quality" ; - obo:BFO_0000180 "Quality" ; - obo:IAO_0000112 "the ambient temperature of this portion of air"@en , - "the color of a tomato"@en , - "the length of the circumference of your waist"@en , - "the mass of this piece of gold."@en , - "the shape of your nose"@en , - "the shape of your nostril"@en ; - obo:IAO_0000600 "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; - obo:IAO_0000601 "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " , - "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "quality"@en . +### http://nmrML.org/nmrCV#NMR:0002166 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 179Hf spectra. The children of this class were manually asserted." ; + rdfs:label "179Hf spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002167 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 181Ta spectra. The children of this class were manually asserted." ; + rdfs:label "181Ta spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002168 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 185Re spectra. The children of this class were manually asserted." ; + rdfs:label "185Re spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002169 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Re spectra. The children of this class were manually asserted." ; + rdfs:label "187Re spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000020 -obo:BFO_0000020 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000002 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000020 - ] ; - owl:disjointWith obo:BFO_0000031 ; - obo:BFO_0000179 "sdc" ; - obo:BFO_0000180 "SpecificallyDependentContinuant" ; - obo:IAO_0000112 "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en , - "of one-sided specifically dependent continuants: the mass of this tomato"@en , - "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en , - "the disposition of this fish to decay"@en , - "the function of this heart: to pump blood"@en , - "the mutual dependence of proton donors and acceptors in chemical reactions [79"@en , - "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction"@en , - "the pink color of a medium rare piece of grilled filet mignon at its center"@en , - "the role of being a doctor"@en , - "the shape of this hole."@en , - "the smell of this portion of mozzarella"@en ; - obo:IAO_0000115 "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; - obo:IAO_0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; - obo:IAO_0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; - rdfs:comment "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "specifically dependent continuant"@en . +### http://nmrML.org/nmrCV#NMR:0002170 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 189Os spectra. The children of this class were manually asserted." ; + rdfs:label "189Os spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002171 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 191Ir spectra. The children of this class were manually asserted." ; + rdfs:label "191Ir spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000020 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002172 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 193Ir spectra. The children of this class were manually asserted." ; + rdfs:label "193Ir spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000020 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000023 -obo:BFO_0000023 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000017 ; - obo:BFO_0000179 "role" ; - obo:BFO_0000180 "Role" ; - obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , - "the priest role"@en , - "the role of a boundary to demarcate two neighboring administrative territories"@en , - "the role of a building in serving as a military target"@en , - "the role of a stone in marking a property boundary"@en , - "the role of subject in a clinical trial"@en , - "the student role"@en ; - obo:IAO_0000115 "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en ; - obo:IAO_0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; - obo:IAO_0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "role"@en . +### http://nmrML.org/nmrCV#NMR:0002173 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 197Au spectra. The children of this class were manually asserted." ; + rdfs:label "197Au spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000023 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002174 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 201Hg spectra. The children of this class were manually asserted." ; + rdfs:label "201Hg spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000023 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000024 -obo:BFO_0000024 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:BFO_0000179 "fiat-object-part" ; - obo:BFO_0000180 "FiatObjectPart" ; - obo:IAO_0000112 "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29"@en , - "the FMA:regional parts of an intact human body."@en , - "the Western hemisphere of the Earth"@en , - "the division of the brain into regions"@en , - "the division of the planet into hemispheres"@en , - "the dorsal and ventral surfaces of the body"@en , - "the upper and lower lobes of the left lung"@en ; - obo:IAO_0000116 "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions"@en ; - obo:IAO_0000600 "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; - obo:IAO_0000602 "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "fiat object part"@en . +### http://nmrML.org/nmrCV#NMR:0002175 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 209Bi spectra. The children of this class were manually asserted." ; + rdfs:label "209Bi spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000024 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:1000000 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits)." ; + rdfs:label "integer32"@en . + + +### http://nmrML.org/nmrCV#NMR:1000001 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A reference number relevant to the sample under study." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000001" ; + rdfs:label "sample number" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000024 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A reference number relevant to the sample under study." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." ] . -### http://purl.obolibrary.org/obo/BFO_0000026 -obo:BFO_0000026 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - owl:disjointWith obo:BFO_0000028 ; - obo:BFO_0000179 "1d-s-region" ; - obo:BFO_0000180 "OneDimensionalSpatialRegion" ; - obo:IAO_0000112 "an edge of a cube-shaped portion of space."@en ; - obo:IAO_0000600 "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "one-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:1000002 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits)." ; + rdfs:label "long64"@en . + + +### http://nmrML.org/nmrCV#NMR:1000003 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The chemical phase of a pure sample, or the state of a mixed sample." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000003" ; + rdfs:label "sample state information" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000026 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The chemical phase of a pure sample, or the state of a mixed sample." ; + oboInOwl:hasDbXref "MSI:NMR" ] . + +### http://nmrML.org/nmrCV#NMR:1000004 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Total mass of sample used." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000004" ; + rdfs:label "sample mass information" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000026 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Total mass of sample used." ; + oboInOwl:hasDbXref "MSI:NMR" ] . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." + ] . -### http://purl.obolibrary.org/obo/BFO_0000027 -obo:BFO_0000027 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:BFO_0000179 "object-aggregate" ; - obo:BFO_0000180 "ObjectAggregate" ; - obo:IAO_0000112 "a collection of cells in a blood biobank."@en , - "a swarm of bees is an aggregate of members who are linked together through natural bonds"@en , - "a symphony orchestra"@en , - "an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)"@en , - "defined by fiat: the aggregate of members of an organization"@en , - "defined through physical attachment: the aggregate of atoms in a lump of granite"@en , - "defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container"@en , - "defined via attributive delimitations such as: the patients in this hospital"@en , - "the aggregate of bearings in a constant velocity axle joint"@en , - "the aggregate of blood cells in your body"@en , - "the nitrogen atoms in the atmosphere"@en , - "the restaurants in Palo Alto"@en , - "your collection of Meissen ceramic plates."@en ; - obo:IAO_0000116 "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " , - "BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee)."@en ; - obo:IAO_0000119 "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; - obo:IAO_0000600 "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; - obo:IAO_0000602 "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "object aggregate"@en . + +### http://nmrML.org/nmrCV#NMR:1000005 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Total volume of solution used." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000005" ; + rdfs:label "sample volume" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Total volume of solution used." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." ] . + +### http://nmrML.org/nmrCV#NMR:1000006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000006" ; + rdfs:label "sample concentration" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000119 ; - owl:annotatedTarget "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." ] . + +### http://nmrML.org/nmrCV#NMR:1000008 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible +to determine if the frequency is positive or negative. The instrument uses a spectrometer +frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule +produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency +is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency +signals are very easy frequency to detect, transmit, amplify and sample. +The complication with this rotating frame of reference is that a single detector can not distinguish positive and +negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels +separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these +two channels, it is possible to distinguish positive and negative frequencies. This section shows how the +quadrature signal is processed to obtain an NMR spectrum. +The Fourier transform produces a complex number with a real and an imaginary component. The Re function +extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number.""" ; + rdfs:label "quadrature detection"@en . + + +### http://nmrML.org/nmrCV#NMR:1000010 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "contact role"@en . + + +### http://nmrML.org/nmrCV#NMR:1000011 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "data file attribute"@en . + + +### http://nmrML.org/nmrCV#NMR:1000012 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "The concept represented by this class is already present ('NMR instrument') and ontologically more correct." ; + obo:IAO_0000231 obo:IAO_0000227 ; + obo:IAO_0100001 ; + rdfs:label "obsolete_NMR instrument type"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000013 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1D spectrum coordinate system descriptor"@en . + + +### http://nmrML.org/nmrCV#NMR:1000014 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pre-acquisition solvent suppression"@en . + + +### http://nmrML.org/nmrCV#NMR:1000015 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000016 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_38589 ; + rdfs:label "obsolete_Hexafluorobenzene"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000017 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85365 ; + oboInOwl:hasExactSynonym "CDCl3" ; + rdfs:label "obsolete_Chloroform-d"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000018 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_41981 ; + oboInOwl:consider "CHEBI:41981" ; + oboInOwl:hasExactSynonym "D2O" ; + rdfs:label "obsolete_heavy water"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000019 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "sample pH"@en . + + +### http://nmrML.org/nmrCV#NMR:1000020 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "post buffer pH"@en . + + +### http://nmrML.org/nmrCV#NMR:1000021 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca-Serra" ; + obo:IAO_0000119 "http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf" ; + rdfs:label "apodization" ; + skos:definition """Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. +Apodization is usually performed by applying a window function to the FID""" . + + +### http://nmrML.org/nmrCV#NMR:1000022 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.metabolomicssociety.org/databases" ; + rdfs:comment "PRS: rename 'reference' to 'identifier'"@en ; + rdfs:label "metabolomics database identifier"@en . + + +### http://nmrML.org/nmrCV#NMR:1000023 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Metabolights identifier"@en . + + +### http://nmrML.org/nmrCV#NMR:1000024 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_38472 ; + rdfs:label "obsolete_acetonitrile"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000025 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_47032 ; + rdfs:label "obsolete_1,4-Dioxane"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000026 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 1H spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 1H spectra. The children of this class were manually asserted." ; + rdfs:label "1H spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 1H spectra according to IUPAC recommendations." ; + dcterms:source , + ] . -### http://purl.obolibrary.org/obo/BFO_0000028 -obo:BFO_0000028 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - obo:BFO_0000179 "3d-s-region" ; - obo:BFO_0000180 "ThreeDimensionalSpatialRegion" ; - obo:IAO_0000112 "a cube-shaped region of space"@en , - "a sphere-shaped region of space,"@en ; - obo:IAO_0000600 "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "three-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:1000027 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_228806 ; + oboInOwl:hasExactSynonym "DSS" ; + rdfs:label "obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000028 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_32954 ; + rdfs:label "obsolete_sodium acetate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000029 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85361 ; + oboInOwl:hasExactSynonym "TMS" ; + rdfs:label "obsolete_tetramethylsilane"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000030 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 13C spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 13C spectra. The children of this class were manually asserted." ; + rdfs:label "13C spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000028 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 13C spectra according to IUPAC recommendations." ; + dcterms:source , + ] . + +### http://nmrML.org/nmrCV#NMR:1000031 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Instrument model name not including the vendor's name." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000031" ; + rdfs:label "NMR instrument model" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000028 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Instrument model name not including the vendor's name." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000029 -obo:BFO_0000029 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000141 ; - obo:BFO_0000179 "site" ; - obo:BFO_0000180 "Site" ; - obo:IAO_0000112 "Manhattan Canyon)"@en , - "a hole in the interior of a portion of cheese"@en , - "a rabbit hole"@en , - "an air traffic control region defined in the airspace above an airport"@en , - "the Grand Canyon"@en , - "the Piazza San Marco"@en , - "the cockpit of an aircraft"@en , - "the hold of a ship"@en , - "the interior of a kangaroo pouch"@en , - "the interior of the trunk of your car"@en , - "the interior of your bedroom"@en , - "the interior of your office"@en , - "the interior of your refrigerator"@en , - "the lumen of your gut"@en , - "your left nostril (a fiat part – the opening – of your left nasal cavity)"@en ; - obo:IAO_0000600 "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; - obo:IAO_0000602 "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "site"@en . +### http://nmrML.org/nmrCV#NMR:1000032 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Free text description of a single customization made to the instrument; for several modifications, use several entries." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000032" ; + rdfs:label "instrument customization" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000029 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Free text description of a single customization made to the instrument; for several modifications, use several entries." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000029 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." ] . -### http://purl.obolibrary.org/obo/BFO_0000030 -obo:BFO_0000030 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:BFO_0000179 "object" ; - obo:BFO_0000180 "Object" ; - obo:IAO_0000112 "atom"@en , - "cell"@en , - "cells and organisms"@en , - "engineered artifacts"@en , - "grain of sand"@en , - "molecule"@en , - "organelle"@en , - "organism"@en , - "planet"@en , - "solid portions of matter"@en , - "star"@en ; - obo:IAO_0000116 "BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting."@en , - "BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below)."@en , - "BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47"@en , - "BFO 2 Reference: an object is a maximal causally unified material entity"@en , - "BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74"@en ; - obo:IAO_0000600 "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "object"@en . +### http://nmrML.org/nmrCV#NMR:1000033 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85365 ; + rdfs:label "obsolete_Chloroform-d1"@en ; + owl:deprecated "true"^^xsd:boolean . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000030 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000034 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "keyword" . -### http://purl.obolibrary.org/obo/BFO_0000031 -obo:BFO_0000031 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000002 ; - obo:BFO_0000179 "gdc" ; - obo:BFO_0000180 "GenericallyDependentContinuant" ; - obo:IAO_0000112 "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity."@en , - "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop"@en , - "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; - obo:IAO_0000115 "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; - obo:IAO_0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "generically dependent continuant"@en . + +### http://nmrML.org/nmrCV#NMR:1000035 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_55317 ; + rdfs:label "obsolete_tetramethylammonium bromide"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000036 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 15N spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 15N spectra. The children of this class were manually asserted." ; + rdfs:label "15N spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000031 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 15N spectra according to IUPAC recommendations." ; + dcterms:source , + ] . + +### http://nmrML.org/nmrCV#NMR:1000037 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_16134 ; + rdfs:label "obsolete_ammonia (liquid)"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000038 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85364 ; + rdfs:label "obsolete_ammonium bromide"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000039 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_34856 ; + rdfs:label "obsolete_1,4-morpholine"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000040 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_77701 ; + rdfs:label "obsolete_nitromethane"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000041 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_16227 ; + rdfs:label "obsolete_pyridine"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000042 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_63005 ; + rdfs:label "obsolete_sodium nitrate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000043 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "solvent filtering" ; + rdfs:label "post-acquisition solvent suppression"@en . + + +### http://nmrML.org/nmrCV#NMR:1000044 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds." ; + dce:source "http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling" ; + rdfs:label "decoupling method"@en . + + +### http://nmrML.org/nmrCV#NMR:1000045 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear decoupling"@en . + + +### http://nmrML.org/nmrCV#NMR:1000046 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear decoupling"@en . + + +### http://nmrML.org/nmrCV#NMR:1000047 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in emulsion form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000047" ; + rdfs:label "emulsion" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000031 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in emulsion form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000034 -obo:BFO_0000034 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000016 ; - obo:BFO_0000179 "function" ; - obo:BFO_0000180 "Function" ; - obo:IAO_0000112 "the function of a hammer to drive in nails"@en , - "the function of a heart pacemaker to regulate the beating of a heart through electricity"@en , - "the function of amylase in saliva to break down starch into sugar"@en ; - obo:IAO_0000116 "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc."@en ; - obo:IAO_0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "function"@en . +### http://nmrML.org/nmrCV#NMR:1000048 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in gaseous form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000048" ; + rdfs:label "gas" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000034 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in gaseous form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . + +### http://nmrML.org/nmrCV#NMR:1000049 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in liquid form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000049" ; + rdfs:label "liquid" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000034 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in liquid form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000035 -obo:BFO_0000035 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - obo:BFO_0000179 "p-boundary" ; - obo:BFO_0000180 "ProcessBoundary" ; - obo:IAO_0000112 "the boundary between the 2nd and 3rd year of your life."@en ; - obo:IAO_0000115 "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; - obo:IAO_0000601 "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; - obo:IAO_0000602 "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " , - "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "process boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000050 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in solid form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000050" ; + rdfs:label "solid" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "State if the sample is in solid form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; - obo:IAO_0010000 - ] . + +### http://nmrML.org/nmrCV#NMR:1000051 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in solution form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000051" ; + rdfs:label "solution" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in solution form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . + +### http://nmrML.org/nmrCV#NMR:1000052 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in suspension form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000052" ; + rdfs:label "suspension" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in suspension form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000038 -obo:BFO_0000038 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000008 ; - owl:disjointWith obo:BFO_0000148 ; - obo:BFO_0000179 "1d-t-region" ; - obo:BFO_0000180 "OneDimensionalTemporalRegion" ; - obo:IAO_0000112 "the temporal region during which a process occurs."@en ; - obo:IAO_0000116 "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)."@en ; - obo:IAO_0000600 "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "one-dimensional temporal region"@en . +### http://nmrML.org/nmrCV#NMR:1000053 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Sample batch lot identifier." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000053" ; + rdfs:label "sample batch information" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000038 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Sample batch lot identifier." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000038 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." ] . -### http://purl.obolibrary.org/obo/BFO_0000040 -obo:BFO_0000040 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000004 ; - owl:disjointWith obo:BFO_0000141 ; - obo:BFO_0000179 "material" ; - obo:BFO_0000180 "MaterialEntity" ; - obo:IAO_0000112 "a flame"@en , - "a forest fire"@en , - "a human being"@en , - "a hurricane"@en , - "a photon"@en , - "a puff of smoke"@en , - "a sea wave"@en , - "a tornado"@en , - "an aggregate of human beings."@en , - "an energy wave"@en , - "an epidemic"@en , - "the undetached arm of a human being"@en ; - obo:IAO_0000115 "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en ; - obo:IAO_0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , - "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , - "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en ; - obo:IAO_0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; - obo:IAO_0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , - "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; - obo:IAO_0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " , - "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " , - "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "material entity"@en . +### http://nmrML.org/nmrCV#NMR:1000054 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "broad band decoupling"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000055 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "off resonance decoupling"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000056 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "band-selective decoupling" , + "narowband decoupling" ; + rdfs:label "specific decoupling"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000057 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "angle of sinusoid"@en . -### http://purl.obolibrary.org/obo/BFO_0000140 -obo:BFO_0000140 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000141 ; - obo:BFO_0000179 "cf-boundary" ; - obo:BFO_0000180 "ContinuantFiatBoundary" ; - obo:IAO_0000115 "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; - obo:IAO_0000116 "BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions."@en , - "BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29"@en , - "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; - obo:IAO_0000601 "Every continuant fiat boundary is located at some spatial region at every time at which it exists"@en ; - obo:IAO_0000602 "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000058 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 31P spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 31P spectra. The children of this class were manually asserted." ; + rdfs:label "31P spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 31P spectra according to IUPAC recommendations." ; + dcterms:source , + ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000140 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000140 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000059 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_26078 ; + oboInOwl:hasExactSynonym "H3PO4" ; + rdfs:label "obsolete_phosphoric acid"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/BFO_0000141 -obo:BFO_0000141 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000004 ; - obo:BFO_0000179 "immaterial" ; - obo:BFO_0000180 "ImmaterialEntity" ; - obo:IAO_0000116 "BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "immaterial entity"@en . +### http://nmrML.org/nmrCV#NMR:1000060 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_37971 ; + oboInOwl:hasExactSynonym "P4" ; + rdfs:label "obsolete_phosphorus"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/BFO_0000142 -obo:BFO_0000142 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000140 ; - owl:disjointWith obo:BFO_0000146 , - obo:BFO_0000147 ; - obo:BFO_0000179 "1d-cf-boundary" ; - obo:BFO_0000180 "OneDimensionalContinuantFiatBoundary" ; - obo:IAO_0000112 "The Equator"@en , - "all geopolitical boundaries"@en , - "all lines of latitude and longitude"@en , - "the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin."@en , - "the median sulcus of your tongue"@en ; - obo:IAO_0000600 "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; - obo:IAO_0000602 "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "one-dimensional continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000061 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_46324 ; + oboInOwl:hasExactSynonym "(CH3O)3PO" ; + rdfs:label "obsolete_trimethyl phosphate"@en ; + owl:deprecated "true"^^xsd:boolean . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000142 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000142 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000062 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_183318 ; + oboInOwl:hasExactSynonym "P(C6H5)3" ; + rdfs:label "obsolete_triphenylphosphine"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/BFO_0000144 -obo:BFO_0000144 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000015 ; - owl:disjointWith obo:BFO_0000182 ; - obo:BFO_0000179 "process-profile" ; - obo:BFO_0000180 "ProcessProfile" ; - obo:IAO_0000112 "On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels"@en , - "One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance."@en , - "The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on."@en ; - obo:IAO_0000115 "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; - obo:IAO_0000600 "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; - obo:IAO_0000602 "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " , - "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "process profile"@en . +### http://nmrML.org/nmrCV#NMR:1000063 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_36601 ; + oboInOwl:hasExactSynonym "O=P(C6H5)3" ; + rdfs:label "obsolete_triphenylphosphine oxide"@en ; + owl:deprecated "true"^^xsd:boolean . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000064 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "co-dissolved internal reference"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000065 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "synthetic reference signal"@en . -### http://purl.obolibrary.org/obo/BFO_0000145 -obo:BFO_0000145 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000019 ; - obo:BFO_0000179 "r-quality" ; - obo:BFO_0000180 "RelationalQuality" ; - obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , - "a marriage bond, an instance of requited love, an obligation between one person and another."@en ; - obo:IAO_0000115 "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; - obo:IAO_0000602 "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "relational quality"@en . +### http://nmrML.org/nmrCV#NMR:1000066 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "residual solvent signal"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000145 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000145 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000067 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "FID zero filling"@en . -### http://purl.obolibrary.org/obo/BFO_0000146 -obo:BFO_0000146 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000140 ; - obo:BFO_0000179 "2d-cf-boundary" ; - obo:BFO_0000180 "TwoDimensionalContinuantFiatBoundary" ; - obo:IAO_0000600 "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; - obo:IAO_0000602 "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "two-dimensional continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000068 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data extrapolation using linear prediction"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000146 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000146 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000069 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "multiplying FID by window function"@en . -### http://purl.obolibrary.org/obo/BFO_0000147 -obo:BFO_0000147 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000140 ; - obo:BFO_0000179 "0d-cf-boundary" ; - obo:BFO_0000180 "ZeroDimensionalContinuantFiatBoundary" ; - obo:IAO_0000112 "the geographic North Pole"@en , - "the point of origin of some spatial coordinate system."@en , - "the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet"@en ; - obo:IAO_0000116 "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; - obo:IAO_0000600 "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; - obo:IAO_0000602 "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "zero-dimensional continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000070 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "FID fourier transformation"@en ; + skos:definition "The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems." . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000147 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; - obo:IAO_0010000 ; - rdfs:comment "requested by Melanie Courtot" ; - rdfs:seeAlso - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000147 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000071 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "phasing" , + "spectral phasing" ; + rdfs:label "phase correction"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000147 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000072 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak integration"@en . -### http://purl.obolibrary.org/obo/BFO_0000148 -obo:BFO_0000148 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000008 ; - obo:BFO_0000179 "0d-t-region" ; - obo:BFO_0000180 "ZeroDimensionalTemporalRegion" ; - obo:IAO_0000112 "a temporal region that is occupied by a process boundary"@en , - "right now"@en , - "the moment at which a child is born"@en , - "the moment at which a finger is detached in an industrial accident"@en , - "the moment of death."@en ; - obo:IAO_0000118 "temporal instant."@en ; - obo:IAO_0000600 "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "zero-dimensional temporal region"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000148 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000073 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak alignment"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000148 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000074 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak shape fitting"@en . -### http://purl.obolibrary.org/obo/BFO_0000182 -obo:BFO_0000182 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000015 ; - obo:BFO_0000179 "history" ; - obo:BFO_0000180 "History" ; - obo:IAO_0000600 "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "history"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000182 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000075 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "spectral referencing"@en . -### http://purl.obolibrary.org/obo/GO_0003674 -obo:GO_0003674 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000077 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85363 ; + dce:source "Pohl, L.; Eckle, M. (1969). \"Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.\". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811" ; + oboInOwl:hasExactSynonym "TMSP" , + "trimethylsilyl propanoic acid" ; + rdfs:label "obsolete_sodium trimethylsilyl-propionate"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/GO_0008150 -obo:GO_0008150 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000078 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be 'linear scaling algorithm'" ; + rdfs:label "linear scaling"@en . -### http://purl.obolibrary.org/obo/GO_0016301 -obo:GO_0016301 rdf:type owl:Class ; - rdfs:subClassOf [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002481 ; - owl:hasSelf "true"^^xsd:boolean - ] . +### http://nmrML.org/nmrCV#NMR:1000079 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be called 'scaling algorithm'" ; + rdfs:label "scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000005 -obo:IAO_0000005 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000080 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be postfixed with algorithm" ; + rdfs:label "non-linear scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000009 -obo:IAO_0000009 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000081 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "total spectral area scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000010 -obo:IAO_0000010 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000082 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90." ; + rdfs:label "probabilistic quotient normalization"@en . -### http://purl.obolibrary.org/obo/IAO_0000027 -obo:IAO_0000027 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000030 ; - obo:IAO_0000111 "data item"@en ; - obo:IAO_0000112 "Data items include counts of things, analyte concentrations, and statistical summaries."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements."@en ; - obo:IAO_0000116 "2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers."@en , - "2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum."@en , - "2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym."@en , - "2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/" , - """JAR: datum -- well, this will be very tricky to define, but maybe some -information-like stuff that might be put into a computer and that is -meant, by someone, to denote and/or to be interpreted by some -process... I would include lists, tables, sentences... I think I might -defer to Barry, or to Brian Cantwell Smith +### http://nmrML.org/nmrCV#NMR:1000083 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "glog scaling" ; + rdfs:label "scaling by generalized logarithmic transformation"@en . -JAR: A data item is an approximately justified approximately true approximate belief"""@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , - "PERSON: Chris Stoeckert"@en , - "PERSON: Jonathan Rees"@en ; - obo:IAO_0000118 "data"@en ; - rdfs:label "data item"@en . +### http://nmrML.org/nmrCV#NMR:1000084 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pareto scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000030 -obo:IAO_0000030 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000031 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:IAO_0000136 ; - owl:someValuesFrom obo:BFO_0000001 - ] ; - obo:IAO_0000111 "information content entity"@en ; - obo:IAO_0000112 "Examples of information content entites include journal articles, data, graphical layouts, and graphs."@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A generically dependent continuant that is about some thing."@en ; - obo:IAO_0000116 "2014-03-10: The use of \"thing\" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ)."@en , - """information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). -Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity."""@en ; - obo:IAO_0000117 "PERSON: Chris Stoeckert"@en ; - obo:IAO_0000119 "OBI_0000142"@en ; - rdfs:label "information content entity"@en . +### http://nmrML.org/nmrCV#NMR:1000085 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "autoscaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000037 -obo:IAO_0000037 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000086 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "JRES spectrum" ; + rdfs:label "2D J-resolved spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_0000038 -obo:IAO_0000038 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000087 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.biomedcentral.com/1471-2105/12/366#B2" ; + rdfs:label "MetaboLab software"@en . -### http://purl.obolibrary.org/obo/IAO_0000064 -obo:IAO_0000064 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000088 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Metaboquant software"@en . -### http://purl.obolibrary.org/obo/IAO_0000078 -obo:IAO_0000078 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:oneOf ( obo:IAO_0000002 - obo:IAO_0000120 - obo:IAO_0000121 - obo:IAO_0000122 - obo:IAO_0000123 - obo:IAO_0000124 - obo:IAO_0000125 - obo:IAO_0000423 - obo:IAO_0000428 - ) - ] ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "curation status specification"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; - obo:IAO_0000116 "Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting)"@en ; - obo:IAO_0000117 "PERSON:Bill Bug"@en ; - obo:IAO_0000119 "GROUP:OBI:"@en , - "OBI_0000266"@en ; - rdfs:label "curation status specification"@en . +### http://nmrML.org/nmrCV#NMR:1000089 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "rNMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000098 -obo:IAO_0000098 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000090 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "open source NMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000100 -obo:IAO_0000100 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000091 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "commercial NMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000101 -obo:IAO_0000101 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000092 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208." ; + rdfs:label "NMRLab software"@en . -### http://purl.obolibrary.org/obo/IAO_0000102 -obo:IAO_0000102 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000027 ; - obo:IAO_0000111 "data about an ontology part"@en ; - obo:IAO_0000115 "Data about an ontology part is a data item about a part of an ontology, for example a term"@en ; - obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; - rdfs:label "data about an ontology part"@en . +### http://nmrML.org/nmrCV#NMR:1000093 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293." ; + rdfs:label "NMRPipe software"@en . -### http://purl.obolibrary.org/obo/IAO_0000104 -obo:IAO_0000104 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000094 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. " ; + rdfs:label "matNMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000179 -obo:IAO_0000179 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000095 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "concentration of chemical compound"@en . -### http://purl.obolibrary.org/obo/IAO_0000180 -obo:IAO_0000180 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000096 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "manual phase correction"@en . -### http://purl.obolibrary.org/obo/IAO_0000183 -obo:IAO_0000183 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000097 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "automatic phase correction"@en . -### http://purl.obolibrary.org/obo/IAO_0000184 -obo:IAO_0000184 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000098 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "DC offset correction"@en . -### http://purl.obolibrary.org/obo/IAO_0000225 -obo:IAO_0000225 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:oneOf ( obo:IAO_0000103 - obo:IAO_0000226 - obo:IAO_0000227 - obo:IAO_0000228 - obo:IAO_0000229 - obo:OMO_0001000 - ) - ] ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "obsolescence reason specification"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; - obo:IAO_0000116 "The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology."@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , - "PERSON: Melanie Courtot"@en ; - rdfs:label "obsolescence reason specification"@en . +### http://nmrML.org/nmrCV#NMR:1000099 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366" ; + rdfs:label "Gibbs multiplication"@en . -### http://purl.obolibrary.org/obo/IAO_0000310 -obo:IAO_0000310 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000100 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "skyline projection"@en . -### http://purl.obolibrary.org/obo/IAO_0000409 -obo:IAO_0000409 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:oneOf ( obo:IAO_0000410 - obo:IAO_0000420 - obo:IAO_0000421 - ) - ] ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "denotator type"@en ; - obo:IAO_0000112 "The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are \"natural kinds\" and the latter arbitrary collections of entities."@en ; - obo:IAO_0000115 "A denotator type indicates how a term should be interpreted from an ontological perspective."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "Barry Smith, Werner Ceusters"@en ; - rdfs:label "denotator type"@en . +### http://nmrML.org/nmrCV#NMR:1000101 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "shifted sine apodization" ; + rdfs:label "shifted sine window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000000 -obo:IAO_8000000 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "ontology module"@en ; - obo:IAO_0000116 "I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it."@en ; - obo:IAO_0000118 "ontology file"@en ; - obo:IAO_0000232 "This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology."@en ; - rdfs:label "ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000102 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "SINC" , + "Sinc window multiplication" ; + rdfs:label "sinc window multiplication of FID (1D)"@en . -### http://purl.obolibrary.org/obo/IAO_8000001 -obo:IAO_8000001 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "base ontology module"@en ; - obo:IAO_0000115 "An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies."@en ; - rdfs:label "base ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000103 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.sciencedirect.com/science/article/pii/S0003267008000950" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/36" ; + oboInOwl:hasExactSynonym "combined sine-bell–exponential window function" ; + rdfs:label "SEM window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000002 -obo:IAO_8000002 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "editors ontology module"@en ; - obo:IAO_0000115 "An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users."@en ; - obo:IAO_0000118 "source ontology module"@en ; - rdfs:label "editors ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000104 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TRAP" , + "trapezoid apodization" ; + rdfs:comment """Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 + -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization.""" ; + rdfs:label "trapezoid window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000003 -obo:IAO_8000003 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "main release ontology module"@en ; - obo:IAO_0000115 "An ontology module that is intended to be the primary release product and the one consumed by the majority of tools."@en ; - obo:IAO_0000116 "TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module"@en ; - rdfs:label "main release ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000105 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "shifted gaussian window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000004 -obo:IAO_8000004 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "bridge ontology module"@en ; - obo:IAO_0000115 "An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module."@en ; - rdfs:label "bridge ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000106 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "baseline correction using spline function"@en . -### http://purl.obolibrary.org/obo/IAO_8000005 -obo:IAO_8000005 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "import ontology module"@en ; - obo:IAO_0000115 "A subset ontology module that is intended to be imported from another ontology."@en ; - obo:IAO_0000116 "TODO: add axioms that indicate this is the output of a module extraction process."@en ; - obo:IAO_0000118 "import file"@en ; - rdfs:label "import ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000107 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "HSQC NMR spectrum" ; + rdfs:label "heteronuclear single quantum coherence spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000006 -obo:IAO_8000006 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "subset ontology module"@en ; - obo:IAO_0000115 "An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms."@en ; - obo:IAO_0000118 "ontology slim"@en , - "subset ontology"@en ; - rdfs:label "subset ontology module"@en ; - rdfs:seeAlso , - . +### http://nmrML.org/nmrCV#NMR:1000108 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Zangger-Sterk pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000007 -obo:IAO_8000007 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "curation subset ontology module"@en ; - obo:IAO_0000115 "A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation."@en ; - rdfs:label "curation subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000109 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/256" ; + rdfs:label "pure shift 1D Zangger-Sterk pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000008 -obo:IAO_8000008 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "analysis ontology module"@en ; - obo:IAO_0000115 "An ontology module that is intended for usage in analysis or discovery applications."@en ; - rdfs:label "analysis subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000110 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/264" ; + rdfs:label "oneshot pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000009 -obo:IAO_8000009 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "single layer ontology module"@en ; - obo:IAO_0000115 "A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint."@en ; - obo:IAO_0000118 "ribbon subset"@en ; - rdfs:label "single layer subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000111 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/265" ; + rdfs:label "pure shift oneshot pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000010 -obo:IAO_8000010 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "exclusion subset ontology module"@en ; - obo:IAO_0000115 "A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes."@en ; - obo:IAO_0000118 "antislim"@en ; - rdfs:label "exclusion subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000112 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/285" ; + oboInOwl:hasExactSynonym "PE Watergate pulse sequence" ; + rdfs:label "perfect echo watergate pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000011 -obo:IAO_8000011 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000005 ; - obo:IAO_0000111 "external import ontology module"@en ; - obo:IAO_0000115 "An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach."@en ; - obo:IAO_0000118 "external import"@en ; - rdfs:label "external import ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000113 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR Star 3.1 file format"@en . -### http://purl.obolibrary.org/obo/IAO_8000012 -obo:IAO_8000012 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "species subset ontology module"@en ; - obo:IAO_0000115 "A subset ontology that is crafted to either include or exclude a taxonomic grouping of species."@en ; - obo:IAO_0000118 "taxon subset"@en ; - rdfs:label "species subset ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000114 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR Star 2.1 file format"@en . -### http://purl.obolibrary.org/obo/IAO_8000013 -obo:IAO_8000013 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "reasoned ontology module"@en ; - obo:IAO_0000115 "An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available."@en ; - rdfs:label "reasoned ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000115 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "three dimensional spectrum" ; + rdfs:label "3D spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000014 -obo:IAO_8000014 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "generated ontology module"@en ; - obo:IAO_0000115 "An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV."@en ; - obo:IAO_0000116 "TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process"@en ; - rdfs:label "generated ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000116 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "four dimensional spectrum" ; + rdfs:label "4D spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000015 -obo:IAO_8000015 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000014 ; - obo:IAO_0000111 "template generated ontology module"@en ; - obo:IAO_0000115 "An ontology module that is automatically generated from a template specification and fillers for slots in that template."@en ; - rdfs:label "template generated ontology module"@en ; - rdfs:seeAlso , - , - . +### http://nmrML.org/nmrCV#NMR:1000117 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum by dimensionality"@en . -### http://purl.obolibrary.org/obo/IAO_8000016 -obo:IAO_8000016 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000004 ; - obo:IAO_0000111 "taxonomic bridge ontology module"@en ; - rdfs:label "taxonomic bridge ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000120 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear chemical shift spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000017 -obo:IAO_8000017 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "ontology module subsetted by expressivity"@en ; - rdfs:label "ontology module subsetted by expressivity"@en . +### http://nmrML.org/nmrCV#NMR:1000121 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear chemical shift spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000018 -obo:IAO_8000018 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000017 ; - obo:IAO_0000111 "obo basic subset ontology module"@en ; - obo:IAO_0000115 """A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. +### http://nmrML.org/nmrCV#NMR:1000122 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bruker instrument model." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000122" ; + rdfs:label "Bruker instrument model" . -Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bruker instrument model." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . -An ontology is OBO Basic if and only if it has the following characteristics: -DAG -Unidirectional -No Dangling Clauses -Fully Asserted -Fully Labeled -No equivalence axioms -Singly labeled edges -No qualifier lists -No disjointness axioms -No owl-axioms header -No imports"""@en ; - rdfs:label "obo basic subset ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000123 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear exchange spectroscopy spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000019 -obo:IAO_8000019 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000017 ; - obo:IAO_0000111 "ontology module subsetted by OWL profile"@en ; - rdfs:label "ontology module subsetted by OWL profile"@en . +### http://nmrML.org/nmrCV#NMR:1000124 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear exchange spectroscopy spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000020 -obo:IAO_8000020 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000019 ; - obo:IAO_0000111 "EL++ ontology module"@en ; - rdfs:label "EL++ ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000128 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear J-resolved spectrum"@en . -### http://purl.obolibrary.org/obo/NCBITaxon_9606 -obo:NCBITaxon_9606 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000129 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear J-resolved spectrum"@en . -### http://purl.obolibrary.org/obo/NMRCV_0000000 -obo:NMRCV_0000000 rdf:type owl:Class ; - rdfs:label "root node"@en . +### http://nmrML.org/nmrCV#NMR:1000130 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "calibration test spectrum"@en . -### http://purl.obolibrary.org/obo/OBI_0000011 -obo:OBI_0000011 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; - rdfs:subClassOf obo:BFO_0000015 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; - obo:IAO_0000111 "planned process" , - "planned process"@en ; - obo:IAO_0000112 "Injecting mice with a vaccine in order to test its efficacy" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A process that realizes a plan which is the concretization of a plan specification."@en ; - obo:IAO_0000116 "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" , - """We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some -objectives is a planned process.""" ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000119 "branch derived" ; - obo:IAO_0000232 "6/11/9: Edited at workshop. Used to include: is initiated by an agent" , - "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)"@en ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "planned process"@en . +### http://nmrML.org/nmrCV#NMR:1000131 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR star software"@en . -### http://purl.obolibrary.org/obo/OBI_0000014 -obo:OBI_0000014 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000017 ; - obo:IAO_0000111 "regulator role" ; - obo:IAO_0000112 "Fact sheet - Regulating the companies The role of the regulator. Ofwat is the economic regulator of the water and sewerage industry in England and Wales. http://www.ofwat.gov.uk/aptrix/ofwat/publish.nsf/Content/roleofregulator_factsheet170805"@en ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a regulatory role involved with making and/or enforcing relevant legislation and governmental orders"@en ; - obo:IAO_0000117 "Person:Jennifer Fostel"@en ; - obo:IAO_0000118 "regulator" ; - obo:IAO_0000119 "OBI"@en ; - rdfs:label "regulator role"@en . +### http://nmrML.org/nmrCV#NMR:1000132 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.felixnmr.com/" ; + rdfs:label "Felix software"@en . -### http://purl.obolibrary.org/obo/OBI_0000017 -obo:OBI_0000017 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 ; - obo:IAO_0000111 "regulatory role"@en ; - obo:IAO_0000112 "Regulatory agency, Ethics committee, Approval letter; example: Browse these EPA Regulatory Role subtopics http://www.epa.gov/ebtpages/enviregulatoryrole.html Feb 29, 2008"@en ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a role which inheres in material entities and is realized in the processes of making, enforcing or being defined by legislation or orders issued by a governmental body."@en ; - obo:IAO_0000117 "GROUP: Role branch"@en ; - obo:IAO_0000119 "OBI, CDISC"@en ; - obo:IAO_0000232 "govt agents responsible for creating regulations; proxies for enforcing regulations. CDISC definition: regulatory authorities. Bodies having the power to regulate. NOTE: In the ICH GCP guideline the term includes the authorities that review submitted clinical data and those that conduct inspections. These bodies are sometimes referred to as competent"@en ; - rdfs:label "regulatory role"@en . - - -### http://purl.obolibrary.org/obo/OBI_0000018 -obo:OBI_0000018 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000947 ; - obo:IAO_0000111 "material supplier role" ; - obo:IAO_0000112 "Jackson Labs is an organization which provide mice as experimental material" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a role realized through the process of supplying materials such as animal subjects, reagents or other materials used in an investigation."@en ; - obo:IAO_0000116 "Supplier role is a special kind of service, e.g. biobank" ; - obo:IAO_0000117 "PERSON:Jennifer Fostel"@en ; - obo:IAO_0000118 "material provider role" , - "supplier" ; - rdfs:label "material supplier role"@en . +### http://nmrML.org/nmrCV#NMR:1000133 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "PIPP software"@en . -### http://purl.obolibrary.org/obo/OBI_0000023 -obo:OBI_0000023 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0000663 - ] ; - rdfs:subClassOf obo:BFO_0000002 , - obo:IAO_0000100 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0000663 - ] ; - obo:IAO_0000111 "classified data set" ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A data set that is produced as the output of a class prediction data transformation and consists of a data set with assigned class labels."@en ; - obo:IAO_0000117 "PERSON: James Malone" , - "PERSON: Monnie McGee" ; - obo:IAO_0000118 "data set with assigned class labels" ; - rdfs:label "classified data set"@en . +### http://nmrML.org/nmrCV#NMR:1000134 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "TALOS+ software"@en . -### http://purl.obolibrary.org/obo/OBI_0000112 -obo:OBI_0000112 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000052 ; - owl:someValuesFrom [ owl:intersectionOf ( obo:BFO_0000040 - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0000659 - ] - ) ; - rdf:type owl:Class - ] - ] ; - obo:IAO_0000111 "specimen role" ; - obo:IAO_0000112 "liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation"@en ; - obo:IAO_0000116 "22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role." , - "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." , - """blood taken from animal: animal continues in study, whereas blood has role specimen. -something taken from study subject, leaves the study and becomes the specimen."""@en , - """parasite example -- when parasite in people we study people, people are subjects and parasites are specimen -- when parasite extracted, they become subject in the following study -specimen can later be subject."""@en ; - obo:IAO_0000117 "GROUP: Role Branch" ; - obo:IAO_0000119 "OBI" ; - obo:IAO_0000233 ; - rdfs:label "specimen role"@en . +### http://nmrML.org/nmrCV#NMR:1000135 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.cyana.org/wiki/index.php/Main_Page" ; + rdfs:label "CYANA software"@en . -### http://purl.obolibrary.org/obo/OBI_0000245 -obo:OBI_0000245 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:IAO_0000111 "organization"@en ; - obo:IAO_0000112 "PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods."@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members."@en ; - obo:IAO_0000116 """BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: -1) there are organization_member_roles (president, treasurer, branch -editor), with individual persons as bearers +### http://nmrML.org/nmrCV#NMR:1000136 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.cit.nih.gov/xplor-nih/" ; + rdfs:label "XPLOR-NIH software"@en . -2) there are organization_roles (employer, owner, vendor, patent holder) -3) an organization has a charter / rules / bylaws, which specify what roles -there are, how they should be realized, and how to modify the -charter/rules/bylaws themselves. +### http://nmrML.org/nmrCV#NMR:1000137 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "computed concentration"@en ; + skos:editorialNote "request these in UO ?" . -It is debatable what the organization itself is (some kind of dependent -continuant or an aggregate of people). This also determines who/what the -bearer of organization_roles' are. My personal favorite is still to define -organization as a kind of 'legal entity', but thinking it through leads to -all kinds of questions that are clearly outside the scope of OBI. -Interestingly enough, it does not seem to matter much where we place -organization itself, as long as we can subclass it (University, Corporation, -Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, -W3C, University of Oklahoma), and have it play roles. +### http://nmrML.org/nmrCV#NMR:1000138 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY" ; + rdfs:label "XEASY software"@en . -This leads to my proposal: We define organization through the statements 1 - -3 above, but without an 'is a' statement for now. We can leave it in its -current place in the is_a hierarchy (material entity) or move it up to -'continuant'. We leave further clarifications to BFO, and close this issue -for now."""@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg" , - "PERSON: Bjoern Peters" , - "PERSON: Philippe Rocca-Serra" , - "PERSON: Susanna Sansone" ; - obo:IAO_0000119 "GROUP: OBI" ; - rdfs:label "organization"@en . +### http://nmrML.org/nmrCV#NMR:1000139 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "sparky software"@en . -### http://purl.obolibrary.org/obo/OBI_0000450 -obo:OBI_0000450 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000245 - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000014 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:OBI_0000245 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000014 - ] ; - obo:IAO_0000111 "regulatory agency"@en ; - obo:IAO_0000112 "The US Environmental Protection Agency" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A regulatory agency is a organization that has responsibility over or for the legislation (acts and regulations) for a given sector of the government."@en ; - obo:IAO_0000117 "GROUP: OBI Biomaterial Branch" ; - obo:IAO_0000119 "WEB: en.wikipedia.org/wiki/Regulator" ; - rdfs:label "regulatory agency"@en . +### http://nmrML.org/nmrCV#NMR:1000140 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr-software.blogspot.de/2007/04/cara.html" ; + rdfs:label "CARA software"@en . -### http://purl.obolibrary.org/obo/OBI_0000571 -obo:OBI_0000571 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000052 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - ] ; - obo:IAO_0000111 "manufacturer role" ; - obo:IAO_0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process." ; - obo:IAO_0000117 "GROUP: Role Branch" ; - obo:IAO_0000119 "OBI" ; - rdfs:label "manufacturer role" . +### http://nmrML.org/nmrCV#NMR:1000141 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Wattos software"@en . -### http://purl.obolibrary.org/obo/OBI_0000648 -obo:OBI_0000648 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0200175 - ] ; - rdfs:subClassOf obo:BFO_0000002 , - obo:IAO_0000100 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0200175 - ] ; - obo:IAO_0000111 "clustered data set" ; - obo:IAO_0000112 "A clustered data set is the output of a K means clustering data transformation" ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A data set that is produced as the output of a class discovery data transformation and consists of a data set with assigned discovered class labels."@en ; - obo:IAO_0000117 "PERSON: James Malone" , - "PERSON: Monnie McGee" ; - obo:IAO_0000118 "data set with assigned discovered class labels" ; - obo:IAO_0000232 "AR thinks could be a data item instead" ; - rdfs:label "clustered data set"@en . +### http://nmrML.org/nmrCV#NMR:1000142 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "MADNMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0000659 -obo:OBI_0000659 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000011 - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000684 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:OBI_0000011 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:someValuesFrom obo:BFO_0000040 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0100051 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000684 - ] ; - obo:IAO_0000111 "specimen collection process" ; - obo:IAO_0000112 "drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A planned process with the objective of collecting a specimen." ; - obo:IAO_0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." , - "Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role." , - "Philly2013: The specimen_role for the specimen is created during the specimen collection process." , - """label changed to 'specimen collection process' on 10/27/2014, details see tracker: -http://sourceforge.net/p/obi/obi-terms/716/""" ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000118 "specimen collection" ; - obo:IAO_0000232 "5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession" , - "6/9/09: used at workshop" ; - rdfs:label "specimen collection process" . +### http://nmrML.org/nmrCV#NMR:1000143 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Pronto software"@en . -### http://purl.obolibrary.org/obo/OBI_0000663 -obo:OBI_0000663 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:unionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000023 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200179 - ] - ) - ] ; - rdfs:subClassOf obo:OBI_0200000 ; - obo:IAO_0000111 "class prediction data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A class prediction data transformation (sometimes called supervised classification) is a data transformation that has objective class prediction."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000118 "supervised classification data transformation" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "class prediction data transformation"@en . +### http://nmrML.org/nmrCV#NMR:1000144 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "TRIAD NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0000684 -obo:OBI_0000684 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000005 ; - obo:IAO_0000111 "specimen collection objective" ; - obo:IAO_0000112 "The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A objective specification to obtain a material entity for potential use as an input during an investigation." ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000119 "Bjoern Peters" ; - rdfs:label "specimen collection objective" . +### http://nmrML.org/nmrCV#NMR:1000145 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "library based computed concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000700 -obo:OBI_0000700 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000663 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200179 - ] ; - obo:IAO_0000111 "support vector machine" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A support vector machine is a data transformation with a class prediction objective based on the construction of a separating hyperplane that maximizes the margin between two data sets of vectors in n-dimensional space." ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - obo:IAO_0000118 "SVM" ; - obo:IAO_0000119 "PERSON: Ryan Brinkman" ; - rdfs:label "support vector machine" . - - -### http://purl.obolibrary.org/obo/OBI_0000704 -obo:OBI_0000704 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "decision tree induction objective" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A decision tree induction objective is a data transformation objective in which a tree-like graph of edges and nodes is created and from which the selection of each branch requires that some type of logical decision is made." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "decision tree induction objective" . +### http://nmrML.org/nmrCV#NMR:1000146 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "Lorenzian (-Integration) (Modeled Area) Estimated Concentration" ; + rdfs:comment "https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing" ; + rdfs:label "Lorenzian estimated concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000707 -obo:OBI_0000707 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000704 - ] ; - rdfs:subClassOf obo:OBI_0200000 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000704 - ] ; - obo:IAO_0000111 "decision tree building data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A decision tree building data transformation is a data transformation that has objective decision tree induction."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "decision tree building data transformation"@en . +### http://nmrML.org/nmrCV#NMR:1000147 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "Measured Area (Integration) based Concentration" ; + rdfs:label "measured area based concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000713 -obo:OBI_0000713 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000010 ; - obo:IAO_0000111 "GenePattern software" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a software that provides access to more than 100 tools for gene expression analysis, proteomics, SNP analysis and common data processing tasks." ; - obo:IAO_0000117 "James Malone" , - "Person:Helen Parkinson" ; - obo:IAO_0000119 "WEB: http://www.broadinstitute.org/cancer/software/genepattern/" ; - rdfs:label "GenePattern software" . +### http://nmrML.org/nmrCV#NMR:1000148 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "time-domain amplitude computed concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000726 -obo:OBI_0000726 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200000 ; - obo:IAO_0000111 "peak matching" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "Peak matching is a data transformation performed on a dataset of a graph of ordered data points (e.g. a spectrum) with the objective of pattern matching local maxima above a noise threshold" ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - obo:IAO_0000119 "PERSON: Ryan Brinkman" ; - rdfs:label "peak matching" . - - -### http://purl.obolibrary.org/obo/OBI_0000727 -obo:OBI_0000727 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200171 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "k-nearest neighbors"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A k-nearest neighbors is a data transformation which achieves a class discovery or partitioning objective, in which an input data object with vector y is assigned to a class label based upon the k closest training data set points to y; where k is the largest value that class label is assigned."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "k-NN" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "k-nearest neighbors"@en . +### http://nmrML.org/nmrCV#NMR:1000149 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "group time delay compensation"@en ; + rdfs:seeAlso "http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html" ; + skos:definition "This is independent of the bruker acquisition parameter named \"GRPDLY\" (Group Delay), but this is a \"shift\" applied on the fid to calibrate its zero" . -### http://purl.obolibrary.org/obo/OBI_0000749 -obo:OBI_0000749 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000707 ; - obo:IAO_0000111 "CART"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A CART (classification and regression trees) is a data transformation method for producing a classification or regression model with a tree-based structure."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "classification and regression trees" ; - obo:IAO_0000119 "BOOK: David J. Hand, Heikki Mannila and Padhraic Smyth (2001) Principles of Data Mining."@en ; - rdfs:label "CART"@en . +### http://nmrML.org/nmrCV#NMR:1000150 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "scaling by forward linear prediction"@en . -### http://purl.obolibrary.org/obo/OBI_0000792 -obo:OBI_0000792 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200188 - ] ; - rdfs:subClassOf obo:OBI_0200171 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200188 - ] ; - obo:IAO_0000111 "statistical model validation" ; - obo:IAO_0000112 "Using the expression levels of 20 proteins to predict whether a cancer patient will respond to a drug. A practical goal would be to determine which subset of the 20 features should be used to produce the best predictive model. - wikipedia" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A data transformation which assesses how the results of a statistical analysis will generalize to an independent data set." ; - obo:IAO_0000117 "Helen Parkinson" ; - obo:IAO_0000119 "http://en.wikipedia.org/wiki/Cross-validation_%28statistics%29" ; - rdfs:label "statistical model validation" . +### http://nmrML.org/nmrCV#NMR:1000151 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "back calculation of first points by linear-prediction"@en . -### http://purl.obolibrary.org/obo/OBI_0000835 -obo:OBI_0000835 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000571 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000571 - ] ; - obo:IAO_0000111 "manufacturer" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A person or organization that has a manufacturer role." ; - rdfs:label "manufacturer" . +### http://nmrML.org/nmrCV#NMR:1000152 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "scaling by mirror image linear prediction"@en . -### http://purl.obolibrary.org/obo/OBI_0000947 -obo:OBI_0000947 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000052 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - ] ; - obo:IAO_0000111 "service provider role" ; - obo:IAO_0000112 "Jackson Lab provides experimental animals, EBI provides training on databases, a core facility provides access to a DNA sequencer." ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "is a role which inheres in a person or organization and is realized in in a planned process which provides access to training, materials or execution of protocols for an organization or person" ; - obo:IAO_0000117 "PERSON:Helen Parkinson" ; - rdfs:label "service provider role" . +### http://nmrML.org/nmrCV#NMR:1000153 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "digital filtering"@en . -### http://purl.obolibrary.org/obo/OBI_0000963 -obo:OBI_0000963 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000009 ; - obo:IAO_0000111 "categorical label" ; - obo:IAO_0000112 "The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels." ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale." ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000119 "Bjoern Peters" ; - rdfs:label "categorical label" . +### http://nmrML.org/nmrCV#NMR:1000154 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000119 "Daniel Schober" ; + dce:source "http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html" ; + rdfs:label "3D strip plot generation"@en ; + skos:definition """A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. +The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus.""" . -### http://purl.obolibrary.org/obo/OBI_0001000 -obo:OBI_0001000 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000310 ; - obo:IAO_0000111 "questionnaire" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A document with a set of printed or written questions with a choice of answers, devised for the purposes of a survey or statistical study."@en ; - obo:IAO_0000116 """JT: It plays a role in collecting data that could be fleshed out more; but I'm thinking it is, in itself, an edited document. -JZ: based on textual definition of edited document, it can be defined as N&S. I prefer to leave questionnaire as a document now. We can add more restrictions in the future and use that to determine it is an edited document or not."""@en , - "Need to clarify if this is a document or a directive information entity (or what their connection is))" ; - obo:IAO_0000117 "PERSON: Jessica Turner"@en ; - obo:IAO_0000119 "Merriam-Webster"@en ; - rdfs:label "questionnaire" . - - -### http://purl.obolibrary.org/obo/OBI_0001930 -obo:OBI_0001930 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001933 ; - obo:IAO_0000111 "categorical value specification" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A value specification that is specifies one category out of a fixed number of nominal categories" ; - obo:IAO_0000117 "PERSON:Bjoern Peters" ; - rdfs:label "categorical value specification" . +### http://nmrML.org/nmrCV#NMR:1000155 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Batman software"@en . -### http://purl.obolibrary.org/obo/OBI_0001933 -obo:OBI_0001933 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000030 ; - obo:IAO_0000111 "value specification" ; - obo:IAO_0000112 "The value of 'positive' in a classification scheme of \"positive or negative\"; the value of '20g' on the quantitative scale of mass." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "An information content entity that specifies a value within a classification scheme or on a quantitative scale." ; - obo:IAO_0000116 "This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement." ; - obo:IAO_0000117 "PERSON:Bjoern Peters" ; - rdfs:label "value specification" . +### http://nmrML.org/nmrCV#NMR:1000156 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL instrument model"@en . -### http://purl.obolibrary.org/obo/OBI_0002076 -obo:OBI_0002076 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:BFO_0000040 - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002351 ; - owl:allValuesFrom obo:OBI_0100051 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:IAO_0000111 "collection of specimens"@en ; - obo:IAO_0000112 "Blood cells collected from multiple donors over the course of a study."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A material entity that has two or more specimens as its parts."@en ; - obo:IAO_0000116 "Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/" ; - obo:IAO_0000117 "Person: Chris Stoeckert, Jie Zheng"@en ; - obo:IAO_0000119 "OBIB, OBI" ; - dce:source "Biobank" ; - rdfs:label "collection of specimens"@en . - - -### http://purl.obolibrary.org/obo/OBI_0002205 -obo:OBI_0002205 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "histologic grade according to AJCC 7th edition" ; - obo:IAO_0000112 "G1:Well differentiated" , - "G4: Undifferentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the American Joint Committee on Cancer (AJCC) 7th Edition grading system." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade according to AJCC 7th edition" . +### http://nmrML.org/nmrCV#NMR:1000157 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "tecmag instrument model"@en . -### http://purl.obolibrary.org/obo/OBI_0002210 -obo:OBI_0002210 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "histologic grade according to the Fuhrman Nuclear Grading System" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the Fuhrman Nuclear Grading System." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Histologic Grade (Fuhrman Nuclear Grading System)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade according to the Fuhrman Nuclear Grading System" . - - -### http://purl.obolibrary.org/obo/OBI_0002215 -obo:OBI_0002215 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "histologic grade for ovarian tumor" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a histologic grade assigned to a ovarian tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade for ovarian tumor" . +### http://nmrML.org/nmrCV#NMR:1000158 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43" , + "Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125" ; + rdfs:label "automatic baseline recognition"@en . -### http://purl.obolibrary.org/obo/OBI_0002216 -obo:OBI_0002216 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002215 ; - obo:IAO_0000111 "histologic grade for ovarian tumor according to a two-tier grading system" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor that is from a two-tier histological classification of tumors." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade for ovarian tumor according to a two-tier grading system" . +### http://nmrML.org/nmrCV#NMR:1000159 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85363 ; + oboInOwl:hasExactSynonym "TSP" ; + rdfs:label "obsolete_Trimethylsilyl propionate"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/OBI_0002219 -obo:OBI_0002219 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002215 ; - obo:IAO_0000111 "histologic grade for ovarian tumor according to the World Health Organization" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor that is from a histological classification by the World Health Organization (WHO)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade for ovarian tumor according to the World Health Organization" . +### http://nmrML.org/nmrCV#NMR:1000160 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "pulse sequence from Wishart lab library" ; + rdfs:label "TMIC lab pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0002224 -obo:OBI_0002224 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for colon and rectum according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread colorectal primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for colon and rectum according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002232 -obo:OBI_0002232 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for lung according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread lung primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for lung according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002243 -obo:OBI_0002243 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for kidney according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread kidney primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for kidney according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002256 -obo:OBI_0002256 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for ovary according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread ovarian primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for ovary according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002270 -obo:OBI_0002270 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for colon and rectum according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for colon and rectum according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002279 -obo:OBI_0002279 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for lung according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for lung according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002284 -obo:OBI_0002284 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for kidney according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread kidney lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for kidney according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002287 -obo:OBI_0002287 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for ovary according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread ovarian lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for ovary according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002290 -obo:OBI_0002290 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for colon according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of colon cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: colon distant metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for colon according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002298 -obo:OBI_0002298 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for lung according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: lung distant metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for lung according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002306 -obo:OBI_0002306 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for kidney according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: kidney distant Metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for kidney according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002310 -obo:OBI_0002310 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for ovary according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: ovarian distant metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for ovary according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002314 -obo:OBI_0002314 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "clinical tumor stage group according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is an assessment of the stage of a cancer according to the American Joint Committee on Cancer (AJCC) v7 staging systems." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Clinical tumor stage group (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "clinical tumor stage group according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002326 -obo:OBI_0002326 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "International Federation of Gynecology and Obstetrics cervical cancer stage value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is an assessment of the stage of a gynecologic cancer according to the International Federation of Gynecology and Obstetrics (FIGO) staging systems." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Clinical FIGO stage" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "International Federation of Gynecology and Obstetrics cervical cancer stage value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002341 -obo:OBI_0002341 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "International Federation of Gynecology and Obstetrics ovarian cancer stage value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the FIGO classification system." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Pathologic Tumor Stage Grouping for ovarian cancer (FIGO)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "International Federation of Gynecology and Obstetrics ovarian cancer stage value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002356 -obo:OBI_0002356 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "performance status value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is an assessment of a participant's performance status (general well-being and activities of daily life)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Performance Status Scale" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Performance_status" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "performance status value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002357 -obo:OBI_0002357 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002356 ; - obo:IAO_0000111 "Eastern Cooperative Oncology Group score value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A performance status value specification designed by the Eastern Cooperative Oncology Group to assess disease progression and its affect on the daily living abilities of the patient." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "ECOG score" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Eastern Cooperative Oncology Group score value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002363 -obo:OBI_0002363 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002356 ; - obo:IAO_0000111 "Karnofsky score vaue specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A performance status value specification designed for classifying patients 16 years of age or older by their functional impairment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Karnofsky Score" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Karnofsky score vaue specification" . +### http://nmrML.org/nmrCV#NMR:1000161 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "probe gradient strength"@en . -### http://purl.obolibrary.org/obo/OBI_0002989 -obo:OBI_0002989 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000018 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000018 - ] ; - obo:IAO_0000111 "material supplier" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A person or organization that provides material supplies to other people or organizations." ; - obo:IAO_0000117 "Rebecca Jackson" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1289" ; - rdfs:label "material supplier" . +### http://nmrML.org/nmrCV#NMR:1000162 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "e.g. Linux or Windows, ..." ; + rdfs:label "NMR acquisition computer operating system"@en . -### http://purl.obolibrary.org/obo/OBI_0100051 -obo:OBI_0100051 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:BFO_0000040 - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000112 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000112 - ] ; - obo:IAO_0000111 "specimen"@en ; - obo:IAO_0000112 "Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A material entity that has the specimen role."@en ; - obo:IAO_0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." ; - obo:IAO_0000117 "PERSON: James Malone" , - "PERSON: Philippe Rocca-Serra" ; - obo:IAO_0000119 "GROUP: OBI Biomaterial Branch"@en ; - obo:IAO_0000233 ; - rdfs:label "specimen"@en . +### http://nmrML.org/nmrCV#NMR:1000163 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "e.g. Bruker Biospin ICON-NMR" ; + rdfs:label "NMR autosampler software"@en . -### http://purl.obolibrary.org/obo/OBI_0200000 -obo:OBI_0200000 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200166 - ] ; - rdfs:subClassOf obo:OBI_0000011 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom [ owl:intersectionOf ( obo:IAO_0000064 - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000051 ; - owl:someValuesFrom obo:IAO_0000005 - ] - ) ; - rdf:type owl:Class - ] - ] - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200166 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:allValuesFrom obo:IAO_0000027 - ] ; - obo:IAO_0000111 "data transformation"@en ; - obo:IAO_0000112 "The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A planned process that produces output data from input data."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "Helen Parkinson"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Philippe Rocca-Serra" , - "Richard Scheuermann"@en , - "Ryan Brinkman"@en , - "Tina Hernandez-Boussard"@en ; - obo:IAO_0000118 "data analysis"@en , - "data processing"@en ; - obo:IAO_0000119 "Branch editors"@en ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "data transformation"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200033 -obo:OBI_0200033 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000792 ; - obo:IAO_0000111 "leave one out cross validation method"@en ; - obo:IAO_0000112 "The authors conducted leave-one-out cross validation to estimate the strength and accuracy of the differentially expressed filtered genes. http://bioinformatics.oxfordjournals.org/cgi/content/abstract/19/3/368" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "is a data transformation : leave-one-out cross-validation (LOOCV) involves using a single observation from the original sample as the validation data, and the remaining observations as the training data. This is repeated such that each observation in the sample is used once as the validation data" ; - obo:IAO_0000116 "2009-11-10. Tracker: https://sourceforge.net/tracker/?func=detail&aid=2893049&group_id=177891&atid=886178" ; - obo:IAO_0000117 "Person:Helen Parkinson" ; - rdfs:label "leave one out cross validation method"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200041 -obo:OBI_0200041 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200171 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "k-means clustering"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A k-means clustering is a data transformation which achieves a class discovery or partitioning objective, which takes as input a collection of objects (represented as points in multidimensional space) and which partitions them into a specified number k of clusters. The algorithm attempts to find the centers of natural clusters in the data. The most common form of the algorithm starts by partitioning the input points into k initial sets, either at random or using some heuristic data. It then calculates the mean point, or centroid, of each set. It constructs a new partition by associating each point with the closest centroid. Then the centroids are recalculated for the new clusters, and the algorithm repeated by alternate applications of these two steps until convergence, which is obtained when the points no longer switch clusters (or alternatively centroids are no longer changed)."@en ; - obo:IAO_0000117 "Elisabetta Manduchi" , - "James Malone"@en , - "Philippe Rocca-Serra" ; - obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/K-means"@en ; - rdfs:label "k-means clustering"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200042 -obo:OBI_0200042 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "hierarchical clustering"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A hierarchical clustering is a data transformation which achieves a class discovery objective, which takes as input data item and builds a hierarchy of clusters. The traditional representation of this hierarchy is a tree (visualized by a dendrogram), with the individual input objects at one end (leaves) and a single cluster containing every object at the other (root)."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/Data_clustering#Hierarchical_clustering"@en ; - rdfs:label "hierarchical clustering"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200050 -obo:OBI_0200050 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "dimensionality reduction"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A dimensionality reduction is data partitioning which transforms each input m-dimensional vector (x_1, x_2, ..., x_m) into an output n-dimensional vector (y_1, y_2, ..., y_n), where n is smaller than m."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Philippe Rocca-Serra" ; - obo:IAO_0000118 "data projection" ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi"@en , - "PERSON: James Malone"@en , - "PERSON: Melanie Courtot"@en ; - rdfs:label "dimensionality reduction"@en . +### http://nmrML.org/nmrCV#NMR:1000164 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker Biospin ICON-NMR software"@en ; + rdfs:seeAlso "http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html" . -### http://purl.obolibrary.org/obo/OBI_0200051 -obo:OBI_0200051 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200050 ; - obo:IAO_0000111 "principal components analysis dimensionality reduction"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A principal components analysis dimensionality reduction is a dimensionality reduction achieved by applying principal components analysis and by keeping low-order principal components and excluding higher-order ones."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Philippe Rocca-Serra" ; - obo:IAO_0000118 "pca data reduction"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi"@en , - "PERSON: James Malone"@en , - "PERSON: Melanie Courtot"@en ; - rdfs:label "principal components analysis dimensionality reduction"@en . +### http://nmrML.org/nmrCV#NMR:1000165 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "buffer pH"@en . -### http://purl.obolibrary.org/obo/OBI_0200111 -obo:OBI_0200111 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000011 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:someValuesFrom obo:IAO_0000027 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:IAO_0000038 - obo:IAO_0000101 - ) - ] - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:allValuesFrom obo:IAO_0000027 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:allValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:IAO_0000038 - obo:IAO_0000101 - ) - ] - ] ; - obo:IAO_0000111 "data visualization" ; - obo:IAO_0000112 "Generation of a heatmap from a microarray dataset" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A planned process with the objective to graphically represent some data by inputing the data and outputting images, diagrams or animations."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Tina Boussard"@en ; - obo:IAO_0000118 "data encoding as image" , - "visualization"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi"@en , - "PERSON: James Malone"@en , - "PERSON: Melanie Courtot"@en , - "PERSON: Tina Boussard"@en ; - obo:IAO_0000232 """Possible future hierarchy might include this: -information_encoding ->data_encoding ->>image_encoding""" ; - rdfs:label "data visualization"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200166 -obo:OBI_0200166 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000005 ; - obo:IAO_0000111 "data transformation objective"@en ; - obo:IAO_0000112 "normalize objective"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "An objective specification to transformation input data into output data"@en ; - obo:IAO_0000116 "Modified definition in 2013 Philly OBI workshop" ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "data transformation objective"@en . +### http://nmrML.org/nmrCV#NMR:1000166 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "e.g. heavy water (D2O)" ; + oboInOwl:hasExactSynonym "lock frequency" ; + rdfs:label "field frequency lock"@en . -### http://purl.obolibrary.org/obo/OBI_0200171 -obo:OBI_0200171 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200172 - ] ; - rdfs:subClassOf obo:OBI_0200000 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200172 - ] ; - obo:IAO_0000111 "partitioning data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A partitioning data transformation is a data transformation that has objective partitioning."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "partitioning data transformation"@en . +### http://nmrML.org/nmrCV#NMR:1000167 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A calibration compound that has a role concentration calibration compound in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + oboInOwl:hasExactSynonym "quantitation standard" ; + rdfs:label "concentration calibration compound"@en . -### http://purl.obolibrary.org/obo/OBI_0200172 -obo:OBI_0200172 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "partitioning objective"@en ; - obo:IAO_0000112 "A k-means clustering which has partitioning objective is a data transformation in which the input data is partitioned into k output sets."@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A partitioning objective is a data transformation objective where the aim is to generate a collection of disjoint non-empty subsets whose union equals a non-empty input set."@en ; - obo:IAO_0000117 "Elisabetta Manduchi" , - "James Malone"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi" ; - rdfs:label "partitioning objective"@en . +### http://nmrML.org/nmrCV#NMR:1000168 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR acquisition software"@en . -### http://purl.obolibrary.org/obo/OBI_0200175 -obo:OBI_0200175 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:unionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) - ] ; - rdfs:subClassOf obo:OBI_0200000 ; - obo:IAO_0000111 "class discovery data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A class discovery data transformation (sometimes called unsupervised classification) is a data transformation that has objective class discovery."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000118 "clustering data transformation" , - "unsupervised classification data transformation" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "class discovery data transformation"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200178 -obo:OBI_0200178 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "class discovery objective"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A class discovery objective (sometimes called unsupervised classification) is a data transformation objective where the aim is to organize input data (typically vectors of attributes) into classes, where the number of classes and their specifications are not known a priori. Depending on usage, the class assignment can be definite or probabilistic."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "clustering objective" , - "discriminant analysis objective"@en , - "unsupervised classification objective"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi" , - "PERSON: James Malone" ; - rdfs:label "class discovery objective"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200179 -obo:OBI_0200179 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "class prediction objective"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 """A class prediction objective (sometimes called supervised classification) is a data transformation objective where the aim is to create a predictor from training data through a machine learning technique. The training data consist of pairs of objects (typically vectors of attributes) and -class labels for these objects. The resulting predictor can be used to attach class labels to any valid novel input object. Depending on usage, the prediction can be definite or probabilistic. A classification is learned from the training data and can then be tested on test data."""@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "classification objective" , - "supervised classification objective"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi" , - "PERSON: James Malone" ; - rdfs:label "class prediction objective"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200188 -obo:OBI_0200188 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200172 ; - obo:IAO_0000111 "cross validation objective"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A cross validation objective is a data transformation objective in which the aim is to partition a sample of data into subsets such that the analysis is initially performed on a single subset, while the other subset(s) are retained for subsequent use in confirming and validating the initial analysis."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "rotation estimation objective"@en ; - obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/Cross_validation" ; - rdfs:label "cross validation objective"@en . +### http://nmrML.org/nmrCV#NMR:1000169 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CIMR MI standard"@en . -### http://purl.obolibrary.org/obo/OBI_0200190 -obo:OBI_0200190 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200111 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:IAO_0000037 - obo:IAO_0000179 - obo:IAO_0000180 - obo:IAO_0000183 - obo:IAO_0000184 - ) - ] - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:allValuesFrom obo:OBI_0000648 - ] ; - obo:IAO_0000111 "clustered data visualization" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A data visualization which has input of a clustered data set and produces an output of a report graph which is capable of rendering data of this type." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "clustered data visualization" . +### http://nmrML.org/nmrCV#NMR:1000170 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "signal line width check"@en . -### http://purl.obolibrary.org/obo/PATO_0000001 -obo:PATO_0000001 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000171 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "signal line width at five percent intensity check"@en . -################################################################# -# Individuals -################################################################# -### http://purl.obolibrary.org/obo/IAO_0000002 -obo:IAO_0000002 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "example to be eventually removed"@en ; - rdfs:label "example to be eventually removed"@en . +### http://nmrML.org/nmrCV#NMR:1000172 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "NMR spectrum descriptor"@en . -### http://purl.obolibrary.org/obo/IAO_0000103 -obo:IAO_0000103 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "failed exploratory term"@en ; - obo:IAO_0000115 "The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job"@en ; - obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; - rdfs:label "failed exploratory term"@en . +### http://nmrML.org/nmrCV#NMR:1000173 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pulse width"@en . -### http://purl.obolibrary.org/obo/IAO_0000120 -obo:IAO_0000120 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "metadata complete"@en ; - obo:IAO_0000115 "Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete."@en ; - rdfs:label "metadata complete"@en . +### http://nmrML.org/nmrCV#NMR:1000174 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "hard pulse width"@en . -### http://purl.obolibrary.org/obo/IAO_0000121 -obo:IAO_0000121 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "organizational term"@en ; - obo:IAO_0000115 "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en ; - rdfs:label "organizational term"@en . +### http://nmrML.org/nmrCV#NMR:1000175 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "spectrum width" ; + rdfs:label "sweep width"@en . -### http://purl.obolibrary.org/obo/IAO_0000122 -obo:IAO_0000122 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "ready for release"@en ; - obo:IAO_0000115 "Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking \"ready_for_release\" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed \"ready_for_release\" will also derived from a chain of ancestor classes that are also \"ready_for_release.\""@en ; - rdfs:label "ready for release"@en . +### http://nmrML.org/nmrCV#NMR:1000176 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "number of data points in spectrum" , + "number of first dimension data points" ; + rdfs:label "number of data points"@en . -### http://purl.obolibrary.org/obo/IAO_0000123 -obo:IAO_0000123 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "metadata incomplete"@en ; - obo:IAO_0000115 "Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors."@en ; - rdfs:label "metadata incomplete"@en . +### http://nmrML.org/nmrCV#NMR:1000177 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum." ; + rdfs:label "x end value"@en . -### http://purl.obolibrary.org/obo/IAO_0000124 -obo:IAO_0000124 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "uncurated"@en ; - obo:IAO_0000115 "Nothing done yet beyond assigning a unique class ID and proposing a preferred term."@en ; - rdfs:label "uncurated"@en . +### http://nmrML.org/nmrCV#NMR:1000178 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "y-axis type"@en . -### http://purl.obolibrary.org/obo/IAO_0000125 -obo:IAO_0000125 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "pending final vetting"@en ; - obo:IAO_0000115 "All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor."@en ; - rdfs:label "pending final vetting"@en . +### http://nmrML.org/nmrCV#NMR:1000179 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "bucket x center" ; + rdfs:label "center of bin on x-axis"@en . -### http://purl.obolibrary.org/obo/IAO_0000224 -obo:IAO_0000224 rdf:type owl:NamedIndividual ; - obo:IAO_0000115 "Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes."@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , - "PERSON: Melanie Courtot"@en ; - obo:IAO_0000231 obo:IAO_0000226 ; - rdfs:label "obsolete_core"@en ; - owl:deprecated "true"^^xsd:boolean . +### http://nmrML.org/nmrCV#NMR:1000180 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "NMR spectrum quantification method" ; + rdfs:label "spectral quantitation algorithm"@en . -### http://purl.obolibrary.org/obo/IAO_0000226 -obo:IAO_0000226 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "placeholder removed"@en ; - rdfs:label "placeholder removed"@en . +### http://nmrML.org/nmrCV#NMR:1000181 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization."@en ; + rdfs:label "NMRProcFlow software"@en ; + foaf:homepage "http://www.nmrprocflow.org/"@en . -### http://purl.obolibrary.org/obo/IAO_0000227 -obo:IAO_0000227 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "terms merged"@en ; - obo:IAO_0000116 "An editor note should explain what were the merged terms and the reason for the merge."@en ; - rdfs:label "terms merged"@en . +### http://nmrML.org/nmrCV#NMR:1000182 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture."@en ; + dce:source "Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219." ; + rdfs:label "Bayesil software"@en ; + foaf:homepage "http://bayesil.ca/" . -### http://purl.obolibrary.org/obo/IAO_0000228 -obo:IAO_0000228 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "term imported"@en ; - obo:IAO_0000116 "This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use."@en ; - rdfs:label "term imported"@en . +### http://nmrML.org/nmrCV#NMR:1000183 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format."@en ; + rdfs:comment "Uses JspectraView Software"@en ; + rdfs:label "nmrML Assign"@en ; + foaf:homepage "http://nmrml.bayesil.ca/"@en . -### http://purl.obolibrary.org/obo/IAO_0000229 -obo:IAO_0000229 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "term split"@en ; - obo:IAO_0000116 "This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created."@en ; - rdfs:label "term split"@en . +### http://nmrML.org/nmrCV#NMR:1000184 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "d" ; + rdfs:label "doublet feature"@en . -### http://purl.obolibrary.org/obo/IAO_0000410 -obo:IAO_0000410 rdf:type owl:NamedIndividual , - obo:IAO_0000409 ; - obo:IAO_0000111 "universal"@en ; - obo:IAO_0000116 "Hard to give a definition for. Intuitively a \"natural kind\" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf"@en ; - rdfs:label "universal"@en . +### http://nmrML.org/nmrCV#NMR:1000185 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "t" ; + rdfs:label "triplet feature"@en . -### http://purl.obolibrary.org/obo/IAO_0000420 -obo:IAO_0000420 rdf:type owl:NamedIndividual , - obo:IAO_0000409 ; - obo:IAO_0000111 "defined class"@en ; - obo:IAO_0000115 "A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal"@en ; - obo:IAO_0000116 "\"definitions\", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - rdfs:label "defined class"@en . +### http://nmrML.org/nmrCV#NMR:1000186 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "q" ; + rdfs:label "quatruplet feature"@en . -### http://purl.obolibrary.org/obo/IAO_0000421 -obo:IAO_0000421 rdf:type owl:NamedIndividual , - obo:IAO_0000409 ; - obo:IAO_0000111 "named class expression"@en ; - obo:IAO_0000115 "A named class expression is a logical expression that is given a name. The name can be used in place of the expression."@en ; - obo:IAO_0000116 "named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions"@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - rdfs:label "named class expression"@en . +### http://nmrML.org/nmrCV#NMR:1000188 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "a set of peaks that are highly correlated in a series of samples" ; + dce:coverage "a feature request by Daniel Jacob inserted at IBP hackathon" ; + rdfs:label "cluster of peaks across samples"@en . -### http://purl.obolibrary.org/obo/IAO_0000423 -obo:IAO_0000423 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "to be replaced with external ontology term"@en ; - obo:IAO_0000115 "Terms with this status should eventually replaced with a term from another ontology."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "group:OBI"@en ; - rdfs:label "to be replaced with external ontology term"@en . +### http://nmrML.org/nmrCV#NMR:1000189 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "simulated spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_0000428 -obo:IAO_0000428 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "requires discussion"@en ; - obo:IAO_0000115 "A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "group:OBI"@en ; - rdfs:label "requires discussion"@en . +### http://nmrML.org/nmrCV#NMR:1000190 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pulse parameter"@en . -### http://purl.obolibrary.org/obo/OBI_0000317 -obo:OBI_0000317 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "Transformation-ML"@en ; - obo:IAO_0000112 "Transformation-ML file describing parameter transformations used in a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "Transformation-ML is a format standard of a digital entity that is conformant with the Transformation-ML standard.(http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf" ; - rdfs:label "Transformation-ML"@en . +### http://nmrML.org/nmrCV#NMR:1000191 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL FID format"@en . -### http://purl.obolibrary.org/obo/OBI_0000321 -obo:OBI_0000321 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "ACS"@en ; - obo:IAO_0000112 "d06.acs, ACS1.0 data file of well D06 of plate 2 of part 1 of a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "ACS is a format standard of a digital entity that is conformant with the Analytical Cytometry Standard. (http://www.isac-net.org/content/view/607/150/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.isac-net.org/content/view/607/150/" ; - rdfs:label "ACS"@en . +### http://nmrML.org/nmrCV#NMR:1000192 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "dd" ; + rdfs:label "doublet of doublets feature"@en . -### http://purl.obolibrary.org/obo/OBI_0000322 -obo:OBI_0000322 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "XML"@en ; - obo:IAO_0000112 "RDF/XML file, OWL file, Compensation-ML file, WSDL document, SVG document"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "XML is a format standard of a digital entity that is conformant with the W3C Extensible Markup Language Recommendation.(http://www.w3.org/XML/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.w3.org/XML/" ; - rdfs:label "XML"@en . +### http://nmrML.org/nmrCV#NMR:1000193 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ABX multiplet pattern"@en ; + skos:definition "AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods." ; + foaf:homepage "http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm" . -### http://purl.obolibrary.org/obo/OBI_0000324 -obo:OBI_0000324 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "RDF"@en ; - obo:IAO_0000112 "A FOAF file, a SKOS file, an OWL file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "RDF is a format standard of a digital entity that is conformant with the W3C Resource Description Framework RDF/XML Syntax specification.(http://www.w3.org/RDF/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.w3.org/RDF/" ; - rdfs:label "RDF"@en . +### http://nmrML.org/nmrCV#NMR:1000194 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "s" ; + rdfs:label "singlet feature"@en . -### http://purl.obolibrary.org/obo/OBI_0000325 -obo:OBI_0000325 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "zip"@en ; - obo:IAO_0000112 "MagicDraw MDZIP archive, Java JAR file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "zip is a format standard of a digital entity that is conformant with the PKWARE .ZIP file format specification (http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/" ; - rdfs:label "zip"@en . +### http://nmrML.org/nmrCV#NMR:1000195 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "qi" ; + rdfs:label "quintet feature"@en . -### http://purl.obolibrary.org/obo/OBI_0000326 -obo:OBI_0000326 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "tar"@en ; - obo:IAO_0000112 "Example.tar file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "tar is a format standard of a digital entity that is conformant with the tape archive file format as standardized by POSIX.1-1998, POSIX.1-2001, or any other tar format compliant with the GNU tar specification. (http://www.gnu.org/software/tar/manual/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.gnu.org/software/tar/manual/" ; - rdfs:label "tar"@en . +### http://nmrML.org/nmrCV#NMR:1000196 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "dt" ; + rdfs:label "doublet of triplets"@en . -### http://purl.obolibrary.org/obo/OBI_0000327 -obo:OBI_0000327 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "FCS"@en ; - obo:IAO_0000112 "d01.fcs, FCS3 data file of well D06 of plate 2 of part 1 of a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "FCS is a format standard of a digital entity that is conformant with the Flow Cytometry Data File Standard.(http://www.fcspress.com/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.fcspress.com/" ; - rdfs:label "FCS"@en . +### http://nmrML.org/nmrCV#NMR:1000197 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "td" ; + rdfs:label "triplet of douplets"@en . -### http://purl.obolibrary.org/obo/OBI_0000329 -obo:OBI_0000329 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "Compensation-ML"@en ; - obo:IAO_0000112 "compfoo.xml, Compensation-ML file describing compensation used in a GvHD experiment"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "Compensation-ML is a format standard of a digital entity that is conformant with the Compensation-ML standard. (http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf" ; - rdfs:label "Compensation-ML"@en . +### http://nmrML.org/nmrCV#NMR:1000198 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "tt" ; + rdfs:label "triplet of triplets"@en . -### http://purl.obolibrary.org/obo/OBI_0000330 -obo:OBI_0000330 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "Gating-ML"@en ; - obo:IAO_0000112 "foogate.xml, Gating-ML file describing gates used in a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "Gating-ML is a format standard of a digital entity that is conformant with the Gating-ML standard. (http://www.flowcyt.org/gating/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.flowcyt.org/gating/" ; - rdfs:label "Gating-ML"@en . +### http://nmrML.org/nmrCV#NMR:1000199 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum by pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0000332 -obo:OBI_0000332 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "OWL"@en ; - obo:IAO_0000112 "OBI ontology file, Basic Formal Ontology file, BIRNLex file, BioPAX file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "OWL is a format standard of a digital entity that is conformant with the W3C Web Ontology Language specification.(http://www.w3.org/2004/OWL/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.w3.org/2004/OWL/" ; - rdfs:label "OWL"@en . - - -### http://purl.obolibrary.org/obo/OBI_0000462 -obo:OBI_0000462 rdf:type owl:NamedIndividual , - obo:OBI_0000835 , - obo:OBI_0002989 ; - obo:IAO_0000111 "Affymetrix" ; - obo:IAO_0000112 "Affymetrix supplied microarray" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization which supplies technology, tools and protocols for use in high throughput applications" ; - rdfs:label "Affymetrix" . +### http://nmrML.org/nmrCV#NMR:1000200 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum by processing step"@en . -### http://purl.obolibrary.org/obo/OBI_0000752 -obo:OBI_0000752 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Thermo" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Thermo" . +### http://nmrML.org/nmrCV#NMR:1000201 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D spectrum coordinate system descriptor"@en . -### http://purl.obolibrary.org/obo/OBI_0000753 -obo:OBI_0000753 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Waters" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Waters" . +### http://nmrML.org/nmrCV#NMR:1000202 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "y-axis value type"@en ; + rdfs:seeAlso "the subclasses come from the Rubtsov specification" . -### http://purl.obolibrary.org/obo/OBI_0000754 -obo:OBI_0000754 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "BIO-RAD" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "BIO-RAD" . +### http://nmrML.org/nmrCV#NMR:1000203 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "power value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000755 -obo:OBI_0000755 rdf:type owl:NamedIndividual , - obo:OBI_0200042 ; - obo:IAO_0000111 "GenePattern hierarchical clustering" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern hierarchical clustering" . +### http://nmrML.org/nmrCV#NMR:1000204 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "magnitude value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000756 -obo:OBI_0000756 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Ambion" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Ambion" . +### http://nmrML.org/nmrCV#NMR:1000205 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "real value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000757 -obo:OBI_0000757 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Helicos" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Helicos" . +### http://nmrML.org/nmrCV#NMR:1000206 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "imaginary value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000758 -obo:OBI_0000758 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Roche" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Roche" . +### http://nmrML.org/nmrCV#NMR:1000207 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex value types"@en . -### http://purl.obolibrary.org/obo/OBI_0000759 -obo:OBI_0000759 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Illumina" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Illumina" . +### http://nmrML.org/nmrCV#NMR:1000208 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "spectral projection axis"@en . -### http://purl.obolibrary.org/obo/OBI_0000760 -obo:OBI_0000760 rdf:type owl:NamedIndividual , - obo:OBI_0200051 ; - obo:IAO_0000111 "GenePattern PCA" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "GenePattern PCA" . +### http://nmrML.org/nmrCV#NMR:1000209 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "f1 axis"@en . -### http://purl.obolibrary.org/obo/OBI_0000761 -obo:OBI_0000761 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000775 ; - obo:IAO_0000111 "GenePattern module SVM" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module SVM is a GenePattern software module which is used to run a support vector machine data transformation." ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - rdfs:label "GenePattern module SVM" . +### http://nmrML.org/nmrCV#NMR:1000210 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "f2 axis"@en . -### http://purl.obolibrary.org/obo/OBI_0000762 -obo:OBI_0000762 rdf:type owl:NamedIndividual , - obo:OBI_0000727 ; - obo:IAO_0000111 "GenePattern k-nearest neighbors" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern k-nearest neighbors" . +### http://nmrML.org/nmrCV#NMR:1000211 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR Format converter"@en . -### http://purl.obolibrary.org/obo/OBI_0000763 -obo:OBI_0000763 rdf:type owl:NamedIndividual , - obo:OBI_0200033 ; - obo:IAO_0000111 "GenePattern LOOCV" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "GenePattern LOOCV" . +### http://nmrML.org/nmrCV#NMR:1000212 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "BML-NMR identifier"@en . -### http://purl.obolibrary.org/obo/OBI_0000764 -obo:OBI_0000764 rdf:type owl:NamedIndividual , - obo:OBI_0200041 ; - obo:IAO_0000111 "GenePattern k-means clustering" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern k-means clustering" . +### http://nmrML.org/nmrCV#NMR:1000214 + rdf:type owl:Class ; + rdfs:comment "DEPRECATED will be further specified via a concentration value" , + "Not considered relevant anymore." ; + rdfs:label "DEPRECATED creatinine"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/OBI_0000765 -obo:OBI_0000765 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Agilent" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Agilent" . +### http://nmrML.org/nmrCV#NMR:1000220 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0000766 -obo:OBI_0000766 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000764 ; - obo:IAO_0000111 "GenePattern module KMeansClustering" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "GenePattern module KMeansClustering is a GenePattern software module which is used to perform a k Means clustering data transformation." ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone" ; - rdfs:label "GenePattern module KMeansClustering" . +### http://nmrML.org/nmrCV#NMR:1000221 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be labeled 'NMR spectrum simulation'" ; + rdfs:label "data simulation"@en . -### http://purl.obolibrary.org/obo/OBI_0000767 -obo:OBI_0000767 rdf:type owl:NamedIndividual , - obo:OBI_0000749 ; - obo:IAO_0000111 "GenePattern CART" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern CART" . +### http://nmrML.org/nmrCV#NMR:1000222 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "DNP NMR" , + "dynamic nuclear polarization enhanced NMR system" ; + rdfs:label "dynamic nuclear polarization NMR instrument"@en . -### http://purl.obolibrary.org/obo/OBI_0000768 -obo:OBI_0000768 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000763 , - obo:OBI_0000767 ; - obo:IAO_0000111 "GenePattern module CARTXValidation" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module CARTXValidation is a GenePattern software module which uses a CART decision tree induction with a leave one out cross validation data transformations." ; - rdfs:label "GenePattern module CARTXValidation" . +### http://nmrML.org/nmrCV#NMR:1000223 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis" ; + dce:source "http://en.wikipedia.org/wiki/Chemical_shift" ; + rdfs:label "chemical shift"@en . -### http://purl.obolibrary.org/obo/OBI_0000769 -obo:OBI_0000769 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Li-Cor" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Li-Cor" . +### http://nmrML.org/nmrCV#NMR:1000224 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "an information object that describes the strength of the NMR signal" ; + rdfs:label "nmr signal intensity"@en . -### http://purl.obolibrary.org/obo/OBI_0000770 -obo:OBI_0000770 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Bruker Corporation" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Bruker Corporation" . +### http://nmrML.org/nmrCV#NMR:1000225 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "baseline correction using polynomial function"@en . -### http://purl.obolibrary.org/obo/OBI_0000771 -obo:OBI_0000771 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000111 "GenePattern module KNNXValidation" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "GenePattern module KNNXValidation is a GenePattern software module which uses a k-nearest neighbours clustering with a leave one out cross validation data transformations." ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone" ; - rdfs:label "GenePattern module KNNXValidation" . +### http://nmrML.org/nmrCV#NMR:1000226 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "first transient of the tnnoesy-presaturation pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0000772 -obo:OBI_0000772 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000778 ; - obo:IAO_0000111 "GenePattern module PeakMatch" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "GenePattern module PeakMatch" . +### http://nmrML.org/nmrCV#NMR:1000227 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian acquisition parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0000773 -obo:OBI_0000773 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000762 ; - obo:IAO_0000111 "GenePattern module KNN" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module KNN is a GenePattern software module which perform a k-nearest neighbors data transformation." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern module KNN" . +### http://nmrML.org/nmrCV#NMR:1000228 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "procpar"@en . -### http://purl.obolibrary.org/obo/OBI_0000774 -obo:OBI_0000774 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000755 ; - obo:IAO_0000111 "GenePattern module HierarchicalClustering" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module HierarchicalClustering is a GenePattern software module which is used to perform a hierarchical clustering data transformation." ; - obo:IAO_0000117 "James Malone" , - "PERSON: James Malone" ; - rdfs:label "GenePattern module HierarchicalClustering" . +### http://nmrML.org/nmrCV#NMR:1000229 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "acqus"@en . -### http://purl.obolibrary.org/obo/OBI_0000775 -obo:OBI_0000775 rdf:type owl:NamedIndividual , - obo:OBI_0000700 ; - obo:IAO_0000111 "GenePattern SVM" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern SVM" . +### http://nmrML.org/nmrCV#NMR:1000230 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker acquisition parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0000776 -obo:OBI_0000776 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Applied Biosystems" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Applied Biosystems" . +### http://nmrML.org/nmrCV#NMR:1000231 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000231" ; + rdfs:label "peak feature" . -### http://purl.obolibrary.org/obo/OBI_0000777 -obo:OBI_0000777 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000760 ; - obo:IAO_0000111 "GenePattern module PCA" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "GenePattern module PCA is a GenePattern software module which is used to perform a principal components analysis dimensionality reduction data transformation." ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone" ; - rdfs:label "GenePattern module PCA" . +### http://nmrML.org/nmrCV#NMR:1000232 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "global"@en . -### http://purl.obolibrary.org/obo/OBI_0000778 -obo:OBI_0000778 rdf:type owl:NamedIndividual , - obo:OBI_0000726 ; - obo:IAO_0000111 "GenePattern peak matching" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - rdfs:label "GenePattern peak matching" . +### http://nmrML.org/nmrCV#NMR:1000233 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Varian autosampler"@en . -### http://purl.obolibrary.org/obo/OBI_0000779 -obo:OBI_0000779 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Bruker Daltonics" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Bruker Daltonics" . +### http://nmrML.org/nmrCV#NMR:1000234 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian SMS 50"@en . -### http://purl.obolibrary.org/obo/OBI_0000780 -obo:OBI_0000780 rdf:type owl:NamedIndividual , - obo:OBI_0200190 ; - obo:IAO_0000111 "GenePattern HeatMapViewer data visualization" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "The GenePattern process of generating Heat Maps from clustered data." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern HeatMapViewer data visualization" . +### http://nmrML.org/nmrCV#NMR:1000235 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Varian probe"@en . -### http://purl.obolibrary.org/obo/OBI_0000781 -obo:OBI_0000781 rdf:type owl:NamedIndividual , - obo:OBI_0200190 ; - obo:IAO_0000111 "GenePattern HierarchicalClusteringViewer data visualization" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "The GenePattern process of generating hierarchical clustering visualization from clustered data." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern HierarchicalClusteringViewer data visualization" . +### http://nmrML.org/nmrCV#NMR:1000236 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "5mm HCN probe"@en . -### http://purl.obolibrary.org/obo/OBI_0000782 -obo:OBI_0000782 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000780 ; - obo:IAO_0000111 "GenePattern module HeatMapViewer" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A GenePattern software module which is used to generate a heatmap view of data." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern module HeatMapViewer" . +### http://nmrML.org/nmrCV#NMR:1000237 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian liquid cold probe"@en . -### http://purl.obolibrary.org/obo/OBI_0000783 -obo:OBI_0000783 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000781 ; - obo:IAO_0000111 "GenePattern module HierarchicalClusteringViewer" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A GenePattern software module which is used to generate a view of data that has been hierarchically clustered." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern module HierarchicalClusteringViewer" . +### http://nmrML.org/nmrCV#NMR:1000238 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "e.g as in HMDB" ; + rdfs:label "reference compound NMR spectrum"@en . -### http://purl.obolibrary.org/obo/OBI_0000829 -obo:OBI_0000829 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Sysmex Corporation, Kobe, Japan" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000119 "WEB:http://www.sysmex.com/@2009/08/06" ; - rdfs:label "Sysmex Corporation, Kobe, Japan" . +### http://nmrML.org/nmrCV#NMR:1000239 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Mestrelab software"@en . -### http://purl.obolibrary.org/obo/OBI_0000901 -obo:OBI_0000901 rdf:type owl:NamedIndividual , - obo:OBI_0000450 ; - obo:IAO_0000111 "U.S. Food and Drug Administration" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000118 "FDA" ; - rdfs:label "U.S. Food and Drug Administration" . +### http://nmrML.org/nmrCV#NMR:1000240 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ACD spectrus software"@en . -### http://purl.obolibrary.org/obo/OBI_0000958 -obo:OBI_0000958 rdf:type owl:NamedIndividual , - obo:OBI_0000963 ; - obo:IAO_0000111 "right handed" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "right handed" . +### http://nmrML.org/nmrCV#NMR:1000241 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Mat NMR 3 software"@en . -### http://purl.obolibrary.org/obo/OBI_0000979 -obo:OBI_0000979 rdf:type owl:NamedIndividual , - obo:OBI_0000963 ; - obo:IAO_0000111 "ambidexterous" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "ambidexterous" . +### http://nmrML.org/nmrCV#NMR:1000242 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMRLab software"@en . -### http://purl.obolibrary.org/obo/OBI_0000998 -obo:OBI_0000998 rdf:type owl:NamedIndividual , - obo:OBI_0000963 ; - obo:IAO_0000111 "left handed" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "left handed" . +### http://nmrML.org/nmrCV#NMR:1000243 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Spinworks NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0001004 -obo:OBI_0001004 rdf:type owl:NamedIndividual , - obo:OBI_0001000 ; - obo:IAO_0000111 "Edingburgh handedness inventory" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "The Edinburgh Handedness Inventory is a set of questions used to assess the dominance of a person's right or left hand in everyday activities."@en ; - obo:IAO_0000117 "PERSON:Alan Ruttenberg" , - "PERSON:Jessica Turner" ; - obo:IAO_0000119 "PMID:5146491#Oldfield, R.C. (1971). The assessment and analysis of handedness: The Edinburgh inventory. Neuropsychologia, 9, 97-113" , - "WEB:http://www.cse.yorku.ca/course_archive/2006-07/W/4441/EdinburghInventory.html" ; - rdfs:label "Edingburgh handedness inventory" . - - -### http://purl.obolibrary.org/obo/OBI_0001213 -obo:OBI_0001213 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "eBioscience" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.ebioscience.com/@2011/04/11" ; - rdfs:label "eBioscience" . +### http://nmrML.org/nmrCV#NMR:1000244 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR software vendor"@en . -### http://purl.obolibrary.org/obo/OBI_0001224 -obo:OBI_0001224 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Cytopeia" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.cytopeia.com/@2011/04/11" ; - rdfs:label "Cytopeia" . +### http://nmrML.org/nmrCV#NMR:1000245 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Spinworks"@en . -### http://purl.obolibrary.org/obo/OBI_0001287 -obo:OBI_0001287 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Exalpha Biological" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.exalpha.com/@2011/04/11" ; - rdfs:label "Exalpha Biological" . +### http://nmrML.org/nmrCV#NMR:1000246 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "iNMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0001312 -obo:OBI_0001312 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Apogee Flow Systems" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.apogeeflow.com/@2011/04/11" ; - rdfs:label "Apogee Flow Systems" . +### http://nmrML.org/nmrCV#NMR:1000247 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR pipe"@en . -### http://purl.obolibrary.org/obo/OBI_0001320 -obo:OBI_0001320 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Exbio Antibodies" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.exbio.cz/@2011/04/11" ; - rdfs:label "Exbio Antibodies" . +### http://nmrML.org/nmrCV#NMR:1000248 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "cule NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0001321 -obo:OBI_0001321 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Becton Dickinson (BD Biosciences)" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.bdbiosciences.com/@2011/04/11" ; - rdfs:label "Becton Dickinson (BD Biosciences)" . +### http://nmrML.org/nmrCV#NMR:1000249 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Matlab"@en ; + rdfs:comment "By Batman/ Tim Ebbels Group"@en ; + rdfs:label "Matlab to nmrML converter"@en . -### http://purl.obolibrary.org/obo/OBI_0001338 -obo:OBI_0001338 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Dako Cytomation" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.dakousa.com/@2011/04/11" ; - rdfs:label "Dako Cytomation" . +### http://nmrML.org/nmrCV#NMR:1000250 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker processing parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0001340 -obo:OBI_0001340 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Millipore" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.guavatechnologies.com/@2011/04/11" ; - rdfs:label "Millipore" . +### http://nmrML.org/nmrCV#NMR:1000251 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "procs"@en . -### http://purl.obolibrary.org/obo/OBI_0001347 -obo:OBI_0001347 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Antigenix" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.antigenix.com/@2011/04/11" ; - rdfs:label "Antigenix" . +### http://nmrML.org/nmrCV#NMR:1000252 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian processing parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0001355 -obo:OBI_0001355 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Partec" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.partec.de/@2011/04/11" ; - rdfs:label "Partec" . +### http://nmrML.org/nmrCV#NMR:1000253 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://mmcd.nmrfam.wisc.edu/" ; + rdfs:comment "PRS: rename 'identifyer' to 'identifier'"@en ; + rdfs:label "Madison Metabolomics Consortium Database MMCD identifier"@en . -### http://purl.obolibrary.org/obo/OBI_0001372 -obo:OBI_0001372 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Beckman Coulter" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.beckmancoulter.com/@2011/04/11" ; - rdfs:label "Beckman Coulter" . +### http://nmrML.org/nmrCV#NMR:1000254 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://bigg.ucsd.edu/" ; + rdfs:label "Bigg metabolomics database identifier"@en . -### http://purl.obolibrary.org/obo/OBI_0001375 -obo:OBI_0001375 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Advanced Instruments Inc. (AI Companies)" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.aicompanies.com/@2011/04/11" ; - rdfs:label "Advanced Instruments Inc. (AI Companies)" . +### http://nmrML.org/nmrCV#NMR:1000255 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "Lorentz-to-Gauss apodization" ; + rdfs:comment """Functional form: + gm(x_i) = exp(e - g*g) + Where: e = pi*i*g1 + g = 0.6*pi*g2*(g3*(size-1)-i) + Parameters: + * data Array of spectral data. + * g1 Inverse exponential width. + * g2 Gaussian broaden width. + * g3 Location of gauss maximum. + * inv Set True for inverse apodization.""" ; + rdfs:label "Lorentz Gaussian window function"@en . -### http://purl.obolibrary.org/obo/OBI_0001424 -obo:OBI_0001424 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Miltenyi Biotec" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.miltenyibiotec.com/@2011/04/11" ; - rdfs:label "Miltenyi Biotec" . +### http://nmrML.org/nmrCV#NMR:1000256 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TRAF" , + "Transform of Reverse Added FIDs" ; + rdfs:label "traf window function"@en ; + skos:definition "A Window function described by Daniel Traficante in their original paper." . -### http://purl.obolibrary.org/obo/OBI_0001428 -obo:OBI_0001428 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "AES Chemunex" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.aeschemunex.com/@2011/04/11" ; - rdfs:label "AES Chemunex" . +### http://nmrML.org/nmrCV#NMR:1000257 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TRAFS" ; + rdfs:label "trafs window function"@en . -### http://purl.obolibrary.org/obo/OBI_0001431 -obo:OBI_0001431 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Bentley Instruments" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://bentleyinstruments.com/@2011/04/11" ; - rdfs:label "Bentley Instruments" . +### http://nmrML.org/nmrCV#NMR:1000258 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak fitting"@en . -### http://purl.obolibrary.org/obo/OBI_0001434 -obo:OBI_0001434 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Invitrogen" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.invitrogen.com/@2011/04/11" ; - rdfs:label "Invitrogen" . +### http://nmrML.org/nmrCV#NMR:1000259 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak assignment"@en . -### http://purl.obolibrary.org/obo/OBI_0001443 -obo:OBI_0001443 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Luminex" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.luminexcorp.com/@2011/04/11" ; - rdfs:label "Luminex" . +### http://nmrML.org/nmrCV#NMR:1000260 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "deconvolution"@en . -### http://purl.obolibrary.org/obo/OBI_0001458 -obo:OBI_0001458 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "CytoBuoy" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.cytobuoy.com/@2011/04/11" ; - rdfs:label "CytoBuoy" . +### http://nmrML.org/nmrCV#NMR:1000261 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks." ; + rdfs:label "chemical shift sorting"@en . -### http://purl.obolibrary.org/obo/OBI_0001855 -obo:OBI_0001855 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Nimblegen" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization that focuses on manufacturing target enrichment probe pools for DNA sequencing." ; - obo:IAO_0000117 "Person: Jie Zheng" ; - rdfs:label "Nimblegen" . +### http://nmrML.org/nmrCV#NMR:1000262 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "fid file"@en . -### http://purl.obolibrary.org/obo/OBI_0001856 -obo:OBI_0001856 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Pacific Biosciences" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization that supplies tools for studying the synthesis and regulation of DNA, RNA and protein. It developed a powerful technology platform called single molecule real-time (SMRT) technology which enables real-time analysis of biomolecules with single molecule resolution." ; - obo:IAO_0000117 "Person: Jie Zheng" ; - rdfs:label "Pacific Biosciences" . +### http://nmrML.org/nmrCV#NMR:1000263 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian FID file"@en . -### http://purl.obolibrary.org/obo/OBI_0001860 -obo:OBI_0001860 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "NanoString Technologies" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization that supplies life science tools for translational research and molecular diagnostics based on a novel digital molecular barcoding technology. The NanoString platform can provide simple, multiplexed digital profiling of single molecules." ; - rdfs:label "NanoString Technologies" . +### http://nmrML.org/nmrCV#NMR:1000264 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker FID file"@en . -### http://purl.obolibrary.org/obo/OBI_0002193 -obo:OBI_0002193 rdf:type owl:NamedIndividual , - obo:OBI_0000245 ; - obo:IAO_0000111 "Thermo Fisher Scientific" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An organization that is an American multinational, biotechnology product development company, created in 2006 by the merger of Thermo Electron and Fisher Scientific." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific" ; - rdfs:label "Thermo Fisher Scientific" . +### http://nmrML.org/nmrCV#NMR:1000265 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061" ; + rdfs:comment "Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing" ; + rdfs:label "ERVA-based bucketing"@en . -### http://purl.obolibrary.org/obo/OBI_0002206 -obo:OBI_0002206 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G1: Well differentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells and the organization of the tumor tissue appear close to normal." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G1" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G1: Well differentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002207 -obo:OBI_0002207 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G2: Moderately differentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells are moderately differentiated and reflect an intermediate grade." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G2" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G2: Moderately differentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002208 -obo:OBI_0002208 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G3: Poorly differentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells are poorly differentiated and do not look like normal cells and tissue." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G3" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G3: Poorly differentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002209 -obo:OBI_0002209 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G4: Undifferentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells are undifferentiated and do not look like normal cells and tissue." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G4" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G4: Undifferentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002211 -obo:OBI_0002211 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G1 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are round, uniform, approximately 10um and that nucleoli are inconspicuous or absent." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 1" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G1 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002212 -obo:OBI_0002212 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G2 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are slightly irregular, approximately 15um and nucleoli are evident." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 2" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G2 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002213 -obo:OBI_0002213 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G3 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are very irregular, approximately 20um and nucleoli large and prominent." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 3" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G3 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002214 -obo:OBI_0002214 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G4 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei arei bizarre and multilobulated, 20um or greater and nucleoli are prominent and chromatin clumped." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 4" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G4 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002217 -obo:OBI_0002217 rdf:type owl:NamedIndividual , - obo:OBI_0002216 ; - obo:IAO_0000111 "Low grade ovarian tumor" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is low grade." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Low grade" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Low grade ovarian tumor" . - - -### http://purl.obolibrary.org/obo/OBI_0002218 -obo:OBI_0002218 rdf:type owl:NamedIndividual , - obo:OBI_0002216 ; - obo:IAO_0000111 "High grade ovarian tumor" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is high grade." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "High grade" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "High grade ovarian tumor" . - - -### http://purl.obolibrary.org/obo/OBI_0002220 -obo:OBI_0002220 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G1 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is well differentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G1" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G1 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002221 -obo:OBI_0002221 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G2 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is moderately differentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G2" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G2 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002222 -obo:OBI_0002222 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G3 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is poorly differentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G3" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G3 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002223 -obo:OBI_0002223 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G4 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is undifferentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G4" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G4 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002225 -obo:OBI_0002225 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT0 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000266 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "cluster of peaks"@en . -### http://purl.obolibrary.org/obo/OBI_0002226 -obo:OBI_0002226 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pTis (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating carcinoma in situ (intraepithelial or invasion of lamina propria)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pTis (colon)" . +### http://nmrML.org/nmrCV#NMR:1000267 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Match NMR tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002227 -obo:OBI_0002227 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT1 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades submucosa." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000268 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "shaped tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002228 -obo:OBI_0002228 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT2 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades muscularis propria." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000269 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Shigemi tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002229 -obo:OBI_0002229 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT3 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades subserosa or into non-peritionealized pericolic or perirectal tissues." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000270 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "standard tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002230 -obo:OBI_0002230 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT4a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor perforates visceral peritoneum." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4a (colon)" . +### http://nmrML.org/nmrCV#NMR:1000271 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Bruker tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002231 -obo:OBI_0002231 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT4b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor directly invades other organs or structures." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4b (colon)" . +### http://nmrML.org/nmrCV#NMR:1000272 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "JEOL magnet"@en ; + foaf:homepage "http://www.jeolusa.com/PRODUCTS/Nuclear-Magnetic-Resonance/Magnets" . -### http://purl.obolibrary.org/obo/OBI_0002233 -obo:OBI_0002233 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT0 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000273 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL ECS magnet"@en . -### http://purl.obolibrary.org/obo/OBI_0002234 -obo:OBI_0002234 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pTis (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating carcinoma in situ." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pTis (lung)" . +### http://nmrML.org/nmrCV#NMR:1000274 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL ECA magnet"@en . -### http://purl.obolibrary.org/obo/OBI_0002235 -obo:OBI_0002235 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 3 cm or less in greatest dimension, surrounded by lung or visceral pleura without bronchoscopic evidence of invasion more proximal than the lobar bronchus (i.e., not in the main bronchus)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000275 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL ECX magnet"@en . -### http://purl.obolibrary.org/obo/OBI_0002236 -obo:OBI_0002236 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT1a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 2 cm or less in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1a (lung)" . +### http://nmrML.org/nmrCV#NMR:1000276 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0002237 -obo:OBI_0002237 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT1b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 2 cm but not more than 3 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1b (lung)" . +### http://nmrML.org/nmrCV#NMR:1000277 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "VnmrJ software"@en . -### http://purl.obolibrary.org/obo/OBI_0002238 -obo:OBI_0002238 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT2 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 7 cm or the tumor has any of the following features: involves main bronchus, 2 cm or more distal to the carina, invades visceral pleura, associated with atelectasis or obstructive pneumonitis that extends to the hilar region but does not involve the entire lung." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000278 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Wilmad tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002239 -obo:OBI_0002239 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT2a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 5 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2a (lung)" . +### http://nmrML.org/nmrCV#NMR:1000283 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "4mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002240 -obo:OBI_0002240 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT2b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 5 cm but not more than 7 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2b (lung)" . +### http://nmrML.org/nmrCV#NMR:1000284 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2.5mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002241 -obo:OBI_0002241 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT3 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 7 cm or one that directly invades any of: parietal pleura, chest wall (including superior sulcus tumors), diaphragm, phrenic nerve, mediastinal pleura, parietal pericardiu or the tumor is in the main bronchus less than 2 cm distal to the carina but without involvement of the carina or there is associated atelectasis or obstructive pneumonitis of the entire lung or there is separate tumor nodule(s) in the same lobe as the primary." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000285 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002242 -obo:OBI_0002242 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT4 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor of any size that invades any of the following: mediastinum, heart, great vessels, trachea, recurrent laryngeal nerve, esophagus, vertebral body, carina or there is separate tumor nodule(s) in a different ipsilateral lobe to that of the primary." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000286 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "5mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002244 -obo:OBI_0002244 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT0 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1000287 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002245 -obo:OBI_0002245 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT1 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 7 cm or less in greatest dimension and limited to the kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1000288 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1.7mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002246 -obo:OBI_0002246 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT1a (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 4 cm or less." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1a (kidney)" . +### http://nmrML.org/nmrCV#NMR:1000289 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2mm Match tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000290 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "4.25mm Match tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000291 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000292 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "5mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000293 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000294 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1.7mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000295 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Wilmad economy tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000296 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Wilmad precision tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000297 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Norell tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000298 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL FID file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000299 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R"@en ; + rdfs:comment "R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de"@en ; + rdfs:label "nmRIO"@en . + + +### http://nmrML.org/nmrCV#NMR:1000300 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R\\rNMR-IO"@en ; + rdfs:label "rNMR-IO"@en . + + +### http://nmrML.org/nmrCV#NMR:1000301 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 """Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. +As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. + +The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. + +The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step."""@en ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Java\\converter"@en ; + rdfs:comment "Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion."@en ; + rdfs:label "Vendor2nmrML_Java"@en . + + +### http://nmrML.org/nmrCV#NMR:1000302 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + oboInOwl:hasExactSynonym "Agilent magnet" ; + rdfs:label "Varian magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000303 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "premium compact narrow bore magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000304 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "premium shielded narrow bore magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000305 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "premium shielded wide bore magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000306 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "modified gaussian apodization" ; + rdfs:comment """Functional form: + gmb(x_i) = exp(-a*i - b*i*i) + Parameters: + * data Array of spectral data. + * a Exponential term. + * b Gaussian term. + * inv Set True for inverse apodization.""" ; + rdfs:label "modified Gaussian window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000307 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "exponentially damped J-modulation apodization" ; + rdfs:comment """Functional form: + jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) + Parameters: + * data Array of spectral data. + * e Exponential term. + * off Start of modulation in fraction of pi radians. + * end End of modulation in fraction of pi radians. + * inv Set True for inverse apodization""" ; + rdfs:label "exponentially damped J-modulation window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000308 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "shifted sine-bell apodization" ; + rdfs:comment """Functional form: + sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow + Parameters: + * data Array of spectral data. + * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) + * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) + * pow Power of Sine-Bell + * inv Set True for inverse apodization.""" ; + rdfs:label "shifted sine bell window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000309 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "triangle apodization" ; + rdfs:comment """Functional form: + 0:loc linear increase/decrease from lHi to 1.0 + loc: linear increase/decrease from 1.0 to rHi + + Parameters: + * data Array of spectral data. + * loc Location of apex, \"auto\" sets to middle. + * lHi Left side starting height. + * rHi Right side starting height. + * inv Set True for inverse apodization.""" ; + rdfs:label "triangle window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000310 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry." ; + rdfs:label "acquisition log file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000311 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\python"@en ; + rdfs:comment "A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton."@en ; + rdfs:label "PynmrML"@en . + + +### http://nmrML.org/nmrCV#NMR:1000312 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources."@en ; + rdfs:comment " Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380 "@en ; + rdfs:label "MetaboAnalyst software"@en ; + foaf:homepage "www.metaboanalyst.ca"@en . + + +### http://nmrML.org/nmrCV#NMR:1000313 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "acqu2s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000314 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "acqu3s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000315 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "proc2s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000316 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "proc3s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000317 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000318 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker NMR spectrum file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000319 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1R file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000320 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "title file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000321 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes."@en ; + dce:source "Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486"@en ; + rdfs:label "XEASY software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000322 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum vizualisation software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000323 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "Used in NMR Assign tool for Baysil"@en ; + rdfs:label "JspectraView software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000324 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "cryoprobe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000325 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "inverse detection NMR probe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000326 + rdf:type owl:Class ; + rdfs:subClassOf , + , + , + ; + rdfs:label "5mm inverse detection cryoprobe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000327 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Visualizers\\PMB_NMRviewer"@en ; + rdfs:comment "Developed by Daniel Jacob, INRA Bordeaux"@en ; + rdfs:label "NMRViewer software"@en ; + skos:example "http://services.cbib.u-bordeaux2.fr/SPECNMR/examples"@en . + + +### http://nmrML.org/nmrCV#NMR:1000328 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + rdfs:label "material processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000329 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AB multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000330 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_197449 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:CHEBI_23367 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_197449 + ] ; + obo:IAO_0000111 "NMR solvent"@en ; + obo:IAO_0000115 "A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy"@en ; + rdfs:label "NMR solvent (molecular entity)"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget obo:CHEBI_23367 ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:label ; + owl:annotatedTarget "NMR solvent (molecular entity)"@en ; + skos:editorialNote "We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI."@en + ] . + + +### http://nmrML.org/nmrCV#NMR:1000331 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + rdfs:comment "Use Chebi entities here." ; + rdfs:label "NMR buffer"@en . + + +### http://nmrML.org/nmrCV#NMR:1000332 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "presat water suppression"@en . + + +### http://nmrML.org/nmrCV#NMR:1000333 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VNMRS 600"@en . + + +### http://nmrML.org/nmrCV#NMR:1000334 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data content encoding"@en . + + +### http://nmrML.org/nmrCV#NMR:1000335 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data compression scheme"@en . + + +### http://nmrML.org/nmrCV#NMR:1000336 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "byte format"@en . + + +### http://nmrML.org/nmrCV#NMR:1000337 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "zlib"@en . + + +### http://nmrML.org/nmrCV#NMR:1000338 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex64"@en ; + skos:definition "This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values." . + + +### http://nmrML.org/nmrCV#NMR:1000339 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex128"@en ; + skos:definition "This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values." . + + +### http://nmrML.org/nmrCV#NMR:1000341 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "binary data compression type"@en . + + +### http://nmrML.org/nmrCV#NMR:1000342 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AB2 multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000343 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data encoding parameter"@en . + + +### http://nmrML.org/nmrCV#NMR:1000344 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "uncompressed data"@en . + + +### http://nmrML.org/nmrCV#NMR:1000345 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer" ; + oboInOwl:hasExactSynonym "DSPFVS" ; + rdfs:label "digital signal processing firmware version"@en . + + +### http://nmrML.org/nmrCV#NMR:1000346 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid." ; + oboInOwl:hasExactSynonym "DECIM" ; + rdfs:label "decimation factor"@en . + + +### http://nmrML.org/nmrCV#NMR:1000347 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. \"The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.\")" ; + oboInOwl:hasExactSynonym "GRPDLY" ; + rdfs:label "group time delay"@en . + + +### http://nmrML.org/nmrCV#NMR:1000348 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR sampling strategy"@en ; + skos:definition "a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition." . + + +### http://nmrML.org/nmrCV#NMR:1000349 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "continuous sampling" ; + rdfs:label "uniform sampling"@en ; + skos:definition "With uniform sampling, each sample is separated by the \"dwell time\"." ; + skos:editorialNote "With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform" . + + +### http://nmrML.org/nmrCV#NMR:1000350 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://link.springer.com/chapter/10.1007%2F1-4020-3910-7_142#page-1" ; + oboInOwl:hasExactSynonym "sparse sampling" ; + rdfs:label "non-uniform sampling"@en ; + skos:definition "with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data." ; + skos:editorialNote "Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly" . + + +### http://nmrML.org/nmrCV#NMR:1000352 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker XWIN-NMR software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000353 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "software attribute"@en . + + +### http://nmrML.org/nmrCV#NMR:1000354 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR software version"@en . + + +### http://nmrML.org/nmrCV#NMR:1000355 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "ABX3 multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000356 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AA'BB' multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000357 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AA'XX' multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000358 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "variable size bucketing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000359 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "uniform bucketing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000360 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "intelligent bucketing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000361 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "bucket importing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000362 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "put in as reqired by NMRProcFlow tool" ; + rdfs:label "bucket resetting"@en . + + +### http://nmrML.org/nmrCV#NMR:1000363 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "as needed for nmrProcFlow" ; + rdfs:label "global baseline correction"@en . + + +### http://nmrML.org/nmrCV#NMR:1000364 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "as needed for nmrProcFlow" ; + rdfs:label "local baseline correction"@en . + + +### http://nmrML.org/nmrCV#NMR:1000365 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "bucket fusioning"@en . + + +### http://nmrML.org/nmrCV#NMR:1000368 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "duplicate of http://nmrML.org/nmrCV#NMR:1400227" ; + obo:IAO_0000231 obo:IAO_0000227 ; + obo:IAO_0100001 ; + rdfs:label "obsolete_JNM-ECX Series FT NMR instrument"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000369 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECZR Series FT NMR instrument"@en ; + skos:definition """JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. +Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. +The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. +400 MHz - 1 GHz""" . + + +### http://nmrML.org/nmrCV#NMR:1000370 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECZS Series FT NMR instrument"@en ; + skos:definition """The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. +Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. +Whatever your application field ECZS can demonstrate its power. +400 MHz""" . + + +### http://nmrML.org/nmrCV#NMR:1000371 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AVANCE III HD"@en . + + +### http://nmrML.org/nmrCV#NMR:1000372 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NanoBay400 MHz"@en . + + +### http://nmrML.org/nmrCV#NMR:1000373 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Fourier 300HD"@en . + + +### http://nmrML.org/nmrCV#NMR:1000374 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "DNP-NMR"@en . + + +### http://nmrML.org/nmrCV#NMR:1000376 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "LC-NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000377 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "LC-NMR/MS instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000378 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Food-Screener instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000379 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AVANCE IVDr"@en . + + +### http://nmrML.org/nmrCV#NMR:1000380 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 400MHz YH magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000381 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 500MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000382 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 600MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000383 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 700MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000384 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 800MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000385 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "single peak feature"@en . + + +### http://nmrML.org/nmrCV#NMR:1000386 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR instrument vendor"@en ; + skos:definition "Any organisation ort person that sells NMR instruments to customers." . + + +### http://nmrML.org/nmrCV#NMR:1000387 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Avance I spectrometer"@en . + + +### http://nmrML.org/nmrCV#NMR:1000394 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian Inova 500"@en . + + +### http://nmrML.org/nmrCV#NMR:1000395 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VNMRS instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000396 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian Mercury plus"@en . + + +### http://nmrML.org/nmrCV#NMR:1000397 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian UnityInova instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000398 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian 400-MR NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000399 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian DDR2 instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000400 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Agilent NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000401 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Agilent 400-MR NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000402 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian Mercury 400"@en . + + +### http://nmrML.org/nmrCV#NMR:1000403 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Agilent Au 400 (DDR2 Console)"@en . + + +### http://nmrML.org/nmrCV#NMR:1000404 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Agilent DDR 2 w/ HCN cryoprobe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000405 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "BMRB identifier"@en . + + +### http://nmrML.org/nmrCV#NMR:1000406 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TM1" ; + rdfs:comment " 0 rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "trapezoid window function parameter"@en . + + +### http://nmrML.org/nmrCV#NMR:1000408 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex64 Integer"@en ; + skos:definition "This byte format uses a consecutive array of two 32bit integer numbers to represent the real and imaginary part of the complex values (2x32bits=>2x4bytes=> 2 integers) for the FID datatype." . + + +### http://nmrML.org/nmrCV#NMR:1000409 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex128 Integer"@en ; + skos:definition "This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype." . + + +### http://nmrML.org/nmrCV#NMR:1000410 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TM2" ; + rdfs:comment "0 rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "30 degree pulse duration" ; + rdfs:label "thirty degree pulse duration"@en ; + skos:definition "The duration of the excitation pulse needed to rotate the magnetisation vector by 30 degrees." . + + +### http://nmrML.org/nmrCV#NMR:1000412 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "InChi"@en . + + +### http://nmrML.org/nmrCV#NMR:1000413 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "inchikey"@en . + + +### http://nmrML.org/nmrCV#NMR:1000414 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "WLN" ; + rdfs:label "Wiswesser Line Notation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000415 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ROSDAL"@en . + + +### http://nmrML.org/nmrCV#NMR:1000416 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "SLN-Tripos"@en . + + +### http://nmrML.org/nmrCV#NMR:1000417 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "smarts"@en . + + +### http://nmrML.org/nmrCV#NMR:1000418 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "line representation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000419 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D topological molecule representation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000420 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D bond line structure"@en . + + +### http://nmrML.org/nmrCV#NMR:1000421 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3D geometrical molecule representation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000422 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3D bond line structure"@en . + + +### http://nmrML.org/nmrCV#NMR:1000423 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CAS number"@en . + + +### http://nmrML.org/nmrCV#NMR:1000424 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "fingerprint model"@en . + + +### http://nmrML.org/nmrCV#NMR:1000425 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "molfile"@en . + + +### http://nmrML.org/nmrCV#NMR:1000426 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "compound similarity measure"@en . + + +### http://nmrML.org/nmrCV#NMR:1000427 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Tanimoto similarity"@en . + + +### http://nmrML.org/nmrCV#NMR:1000428 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Gaussian window function parameter"@en . + + +### http://nmrML.org/nmrCV#NMR:1000429 + rdf:type owl:Class ; + rdfs:comment "Not considered relevant anymore." ; + rdfs:label "DEPRECATED 2,2-Dimethyl-2-silapentane-5-sulfonate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000430 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Gaussian maximum position"@en . + + +### http://nmrML.org/nmrCV#NMR:1000431 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 2H spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 2H spectra. The children of this class were manually asserted." ; + rdfs:label "2H spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 2H spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + +### http://nmrML.org/nmrCV#NMR:1000433 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ABX2 multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000434 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "DRX 600 instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000435 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "plot and graph generation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000436 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "reference deconvolution"@en ; + skos:definition "vertical alignment of on and offset of the peak of the reference compound." . + + +### http://nmrML.org/nmrCV#NMR:1000437 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "spectral smoothing"@en ; + skos:definition "the process of removing noisy jitters in a spectral curve to get clearer and more meaningful signals and peaks." . + + +### http://nmrML.org/nmrCV#NMR:1000438 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR database format"@en . + + +### http://nmrML.org/nmrCV#NMR:1000439 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "M. Yokochi, N. Kobayashi, E. L. Ulrich, A. R. Kinjo, T. Iwata, Y. E. Ioannidis, M. Livny, J. L. Markley, H. Nakamura, C. Kojima, T. Fujiwara, “Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins,” Journal of Biomedical Semantics, 5:7:16 (2016)" ; + rdfs:label "BMRB/XML file format"@en . + + +### http://nmrML.org/nmrCV#NMR:1000440 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "nD spectrum"@en . + + +### http://nmrML.org/nmrCV#NMR:1000452 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Terms used to describe types of data processing." ; + oboInOwl:hasExactSynonym "data processing" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000452" ; + rdfs:label "NMR data conversion" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Terms used to describe types of data processing." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000457 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000030 ; + obo:IAO_0000115 """tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober""" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000457" ; + rdfs:label "sample" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget """tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober""" ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000463 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "Description of the instrument or the mass spectrometer." ; + obo:IAO_0000116 "not needed as OBI has better equivalent" ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:OBI_0000968 ; + oboInOwl:hasExactSynonym "instrument configuration" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000463" ; + rdfs:label "obsolete_instrument" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Description of the instrument or the mass spectrometer." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000489 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Varian instrument model." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000489" ; + rdfs:label "Varian/Agilent instrument model" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Varian instrument model." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000496 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Instrument properties that are associated with a value." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000496" ; + rdfs:label "instrument attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Instrument properties that are associated with a value." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000524 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Describes the data content on the file." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000524" ; + rdfs:label "data file content" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Describes the data content on the file." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000529 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Serial Number of the instrument." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000529" ; + rdfs:label "instrument serial number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Serial Number of the instrument." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000530 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion of one file format to another." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000530" ; + rdfs:label "file format conversion" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion of one file format to another." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000531 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000017 ; + obo:IAO_0000115 "Software related to the recording or transformation of spectra." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000531" ; + rdfs:label "software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Software related to the recording or transformation of spectra." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000547 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + obo:IAO_0000115 "Object Attribute." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000547" ; + rdfs:label "object attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Object Attribute." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000548 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Sample properties that are associated with a value." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000548" ; + rdfs:label "sample attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Sample properties that are associated with a value." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000561 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000561" ; + rdfs:label "data file checksum type" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000568 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000568" ; + rdfs:label "MD5" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000569 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000569" ; + rdfs:label "SHA-1" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000577 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Describes the type of file and its content." ; + oboInOwl:hasExactSynonym "source file" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000577" ; + rdfs:label "NMR raw data file format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Describes the type of file and its content." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000585 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Details about a person or organization to contact in case of concern or discussion about the file." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000585" ; + rdfs:label "contact attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Details about a person or organization to contact in case of concern or discussion about the file." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000586 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Name of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000586" ; + rdfs:label "contact name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Name of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000587 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Postal address of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000587" ; + rdfs:label "contact address" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Postal address of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000588 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Uniform Resource Locator related to the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000588" ; + rdfs:label "contact URL" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Uniform Resource Locator related to the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000589 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Email address of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000589" ; + rdfs:label "contact email" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Email address of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000590 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Home institution of the contact person." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000590" ; + rdfs:label "contact organization" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Home institution of the contact person." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000630 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Data processing parameter used in the data processing performed on the data file." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000630" ; + rdfs:label "data processing parameter" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Data processing parameter used in the data processing performed on the data file." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000747 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000019 ; + obo:IAO_0000115 "The time that a data processing action was finished." ; + oboInOwl:hasDbXref "value-type:xsd:date" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000747" ; + rdfs:label "data processing completion time" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The time that a data processing action was finished." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:date" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000767 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Describes how the native spectrum identifiers are formated." ; + oboInOwl:hasExactSynonym "nativeID format" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000767" ; + rdfs:label "FID format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Describes how the native spectrum identifiers are formated." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000773 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "file=xsd:IDREF." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000773" ; + rdfs:comment "The nativeID must be the same as the source file ID." ; + rdfs:label "Bruker FID format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "file=xsd:IDREF." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000799 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000799" ; + rdfs:label "custom unreleased software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000831 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Description of the preparation steps which took place before the measurement was performed." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000831" ; + rdfs:label "sample preparation information" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Description of the preparation steps which took place before the measurement was performed." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000859 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:OMO_0001000 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000859" ; + rdfs:label "obsolete_molecule" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000860 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A compound of low molecular weight that is composed of two or more amino acids." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:OMO_0001000 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000860" ; + rdfs:label "obsolete_peptide" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A compound of low molecular weight that is composed of two or more amino acids." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000861 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A describable property of a chemical compound." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000861" ; + rdfs:label "chemical compound attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A describable property of a chemical compound." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000862 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The pH of a solution at which a charged molecule does not migrate in an electric field." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasExactSynonym "pI" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000862" ; + rdfs:label "isoelectric point" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The pH of a solution at which a charged molecule does not migrate in an electric field." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000863 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasExactSynonym "predicted pI" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000863" ; + rdfs:label "predicted isoelectric point" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000864 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A combination of symbols used to express the chemical composition of a compound." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000864" ; + rdfs:label "chemical compound formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A combination of symbols used to express the chemical composition of a compound." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000865 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical formula which expresses the proportions of the elements present in a substance." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000865" ; + rdfs:label "empirical formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical formula which expresses the proportions of the elements present in a substance." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000866 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000866" ; + rdfs:label "molecular formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000867 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000867" ; + rdfs:label "structural formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000868 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000868" ; + rdfs:label "SMILES string" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000878 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An identifier/accession number to an external reference database." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000878" ; + rdfs:label "external reference identifier" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An identifier/accession number to an external reference database." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000879 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A unique identifier for a publication in the PubMed database (MIR:00000015)." ; + oboInOwl:hasDbXref "value-type:xsd:integer" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000879" ; + rdfs:label "PubMed identifier" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A unique identifier for a publication in the PubMed database (MIR:00000015)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:integer" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000881 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_23367 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000881" ; + rdfs:comment "Use Chebi entities here." ; + rdfs:label "obsolete_chemical compound" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000882 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:OMO_0001000 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000882" ; + rdfs:label "obsolete_protein" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000883 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN)." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000883" ; + rdfs:label "protein short name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000884 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An nonphysical attribute describing a specific protein." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000884" ; + rdfs:label "protein attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An nonphysical attribute describing a specific protein." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000885 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Accession number for a specific protein in a database." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000885" ; + rdfs:label "protein accession" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Accession number for a specific protein in a database." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000886 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A long name describing the function of the protein." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000886" ; + rdfs:label "protein name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A long name describing the function of the protein." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000887 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An nonphysical attribute that can be used to describe a peptide." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000887" ; + rdfs:label "peptide attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An nonphysical attribute that can be used to describe a peptide." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000888 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000888" ; + rdfs:label "unmodified peptide sequence" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000889 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu)." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000889" ; + rdfs:label "modified peptide sequence" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000890 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A state description of how a peptide might be isotopically or isobarically labelled." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000890" ; + rdfs:label "peptide labeling state" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A state description of how a peptide might be isotopically or isobarically labelled." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000891 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A peptide that has been created or labeled with some heavier-than-usual isotopes." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000891" ; + rdfs:label "heavy labeled peptide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A peptide that has been created or labeled with some heavier-than-usual isotopes." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000892 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as \"light\" to distinguish from \"heavy\"." ; + oboInOwl:hasExactSynonym "light labeled peptide" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000892" ; + rdfs:label "unlabeled peptide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as \"light\" to distinguish from \"heavy\"." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000893 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000893" ; + rdfs:label "peptide group label" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000898 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + obo:IAO_0000115 "Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000898" ; + rdfs:label "data standard" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000899 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard." ; + oboInOwl:hasDbXref "MS_1000899" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000899" ; + rdfs:label "de facto standard" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000900 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result." ; + oboInOwl:hasDbXref "MS_1000899" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000900" ; + rdfs:label "minimum information standard" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000914 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A file that has two or more columns of tabular data where each column is separated by a TAB character." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000914" ; + rdfs:label "tab delimited text file" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A file that has two or more columns of tabular data where each column is separated by a TAB character." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000933 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000933" ; + rdfs:label "protein modification" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000934 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Name of the gene from which the protein is translated." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000934" ; + rdfs:label "gene name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Name of the gene from which the protein is translated." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001040 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Type of the source file, the nmrIdentML was created from." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001040" ; + rdfs:label "intermediate analysis format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Type of the source file, the nmrIdentML was created from." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001107 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Source file for this nmrIdentML was a data set in a database." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001107" ; + rdfs:label "data stored in database" ; + skos:editorialNote "retire? Consider: \"NMR database format\" ?" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Source file for this nmrIdentML was a data set in a database." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001267 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001267" ; + rdfs:label "software vendor" . + + +### http://nmrML.org/nmrCV#NMR:1001268 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001268" ; + rdfs:label "programmer" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001269 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001269" ; + rdfs:label "instrument vendor" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001270 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001270" ; + rdfs:label "lab personnel" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001271 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001271" ; + rdfs:label "researcher" . + + +### http://nmrML.org/nmrCV#NMR:1001456 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Analysis software." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001456" ; + rdfs:label "analysis software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Analysis software." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001457 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion software." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001457" ; + rdfs:label "data processing software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion software." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001459 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Format of data files." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001459" ; + rdfs:label "data file format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Format of data files." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001755 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Phone number of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001755" ; + rdfs:label "contact phone number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Phone number of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001756 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Fax number for the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001756" ; + rdfs:label "contact fax number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Fax number for the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001757 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Toll-free phone number of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001757" ; + rdfs:label "contact toll-free phone number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Toll-free phone number of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001922 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "DOI unique identifier." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001922" ; + rdfs:label "Digital Object Identifier (DOI)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "DOI unique identifier." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001923 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Free text attribute that can enrich the information about an entity." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001923" ; + rdfs:label "external reference keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Free text attribute that can enrich the information about an entity." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001924 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Keyword present in a scientific publication." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001924" ; + rdfs:label "journal article keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Keyword present in a scientific publication." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001925 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Keyword assigned by the data submitter." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001925" ; + rdfs:label "submitter keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Keyword assigned by the data submitter." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001926 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Keyword assigned by a data curator." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001926" ; + rdfs:label "curator keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Keyword assigned by a data curator." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001954 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Parameters used in the NMR spectrometry acquisition." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001954" ; + rdfs:label "NMR acquisition parameter" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Parameters used in the NMR spectrometry acquisition." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A unique identifier for a metabolite in the HMDB database (HMDB00001)." ; + oboInOwl:hasDbXref "value-type:xsd:integer" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002000" ; + rdfs:label "HMDB identifier" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A unique identifier for a metabolite in the HMDB database (HMDB00001)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:integer" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002001 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chenomx software for data acquisition and analysis." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002001" ; + rdfs:label "Chenomx software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Chenomx software for data acquisition and analysis." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002002 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chenomx software for data analysis." ; + dce:source "http://www.chenomx.com/software/" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002002" ; + rdfs:label "Chenomx NMR Suite software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Chenomx software for data analysis." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002003 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "file=xsd:IDREF." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002003" ; + rdfs:comment "The nativeID must be the same as the source file ID." ; + rdfs:label "Varian FID format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "file=xsd:IDREF." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002004 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002004" ; + rdfs:label "NMR spectrometer file format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002005 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Simple text file of peaks." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002005" ; + rdfs:label "text file" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Simple text file of peaks." ; + oboInOwl:hasDbXref "MSI:PI" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Parameter file used to configure the acquisition of raw data on the instrument." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002006" ; + rdfs:label "acquisition parameter file" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Parameter file used to configure the acquisition of raw data on the instrument." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002007 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 """tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. + def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. + synonym: NMR spectrum""" ; + dce:source "as designated Experiment type on http://www.bmrb.wisc.edu/tools/choose_pulse_info.php " ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002007" ; + rdfs:label "NMR spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1002008 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion of a file format to Metabolomics Standards Initiative nmrData file format." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002008" ; + rdfs:label "conversion to nmrML" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion of a file format to Metabolomics Standards Initiative nmrData file format." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002009 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion of a file format to JCAMP-DX file format." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002009" ; + rdfs:label "conversion to JCAMP-DX" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion of a file format to JCAMP-DX file format." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002010 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002010" ; + rdfs:label "NMR solvent information" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002011 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "pH." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002011" ; + rdfs:label "pH" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "pH." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002013 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM." ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/29#issue" ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002013" ; + rdfs:label "chemical shift reference" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002014 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A bin for a spectrum." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasExactSynonym "bucketed spectrum descriptor" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002014" ; + rdfs:label "binned spectrum descriptor" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A bin for a spectrum." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002015 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin label." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002015" ; + rdfs:label "bin label" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin label." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002016 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin start." ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002016" ; + rdfs:label "bin start" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin start." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002017 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin end." ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002017" ; + rdfs:label "bin end" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin end." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002018 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin area." ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002018" ; + rdfs:label "bin area" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin area." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002020 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Name of metabolite." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002020" ; + rdfs:label "assigned chemical compound name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Name of metabolite." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002021 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002021" ; + rdfs:label "assigned chemical compound concentration" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002032 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Hilbert transformation based scaling"@en . + + +### http://nmrML.org/nmrCV#NMR:1400001 + rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:unionOf ( + + ) + ] ; + rdfs:subClassOf obo:OBI_0000968 ; + obo:IAO_0000116 "This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact."@en ; + obo:IAO_0000233 ; + rdfs:comment """def: Part of an NMR instrument which is not cardinally important and hence optional / facultative for the proper intended function of the instrument. + synonym: optional part of NMR instrument + clsdel: ontologically there is no such universal which characteristic is a possible (!) state of being a part of something...""" ; + rdfs:label "optional part of NMR instrument" ; + owl:versionInfo "TODO: Discuss \"obligatory_part_of\"." . + + +### http://nmrML.org/nmrCV#NMR:1400002 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment """def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. + altdef: The autosampler is an automatic sample changer.""" ; + rdfs:label "NMR autosampler" . + + +### http://nmrML.org/nmrCV#NMR:1400006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000119 "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + oboInOwl:hasExactSynonym "multiplicity" ; + rdfs:label "multiplicity feature" . + + +### http://nmrML.org/nmrCV#NMR:1400008 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. + defprov: Daniel Schober""" ; + rdfs:label "projected spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1400009 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "binned spectrum" ; + rdfs:comment "def: A post-processed NMR spectrum in which the y-values of the datapoints have been summed based on periodic ranges of the x-axis values." ; + rdfs:label "bucketed spectrum" ; + owl:versionInfo "TODO: has spectral post processing parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400010 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "peak-picked spectrum" ; + owl:versionInfo "TODO: has spectral post processing parameter." . + + +### http://nmrML.org/nmrCV#NMR:1400011 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000968 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] ; + obo:IAO_0000116 "This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact."@en ; + obo:IAO_0000233 ; + rdfs:comment """def: A part of an NMR instrument which is cardinally important and hence obligatory and compulsatory for the proper intended function of the instrument. + synonym: cardinal part of NMR instrument""" ; + rdfs:label "cardinal part of NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400013 + rdf:type owl:Class ; + rdfs:subClassOf , + obo:OBI_0400107 ; + obo:IAO_0000233 ; + rdfs:comment "def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers." ; + rdfs:label "NMR acquisition computer" . + + +### http://nmrML.org/nmrCV#NMR:1400014 + rdf:type owl:Class ; + rdfs:subClassOf , + obo:OBI_0000832 ; + obo:IAO_0000233 ; + rdfs:comment """def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. + altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample.""" ; + rdfs:label "NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400015 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment "def: A component of an NMR instrument that controls the activities of the other components." ; + rdfs:label "NMR console" ; + owl:versionInfo "TODO: same as or part of acquisition computer?" . + + +### http://nmrML.org/nmrCV#NMR:1400017 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: The number of data points in a data set." ; + rdfs:label "number of acquisition data points" . + + +### http://nmrML.org/nmrCV#NMR:1400019 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A frequency used during Hadamard encoding." ; + rdfs:label "hadamard frequency" . + + +### http://nmrML.org/nmrCV#NMR:1400020 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The axis onto which the spectrum was projected." ; + rdfs:label "projection axis" . + + +### http://nmrML.org/nmrCV#NMR:1400022 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "90 degree pulse duration" ; + rdfs:label "ninety degree pulse duration" ; + skos:definition "The duration of the excitation pulse needed to rotate the magnetisation vector by 90 degrees." . + + +### http://nmrML.org/nmrCV#NMR:1400023 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A digital sampling interval. + alsprcls: time interval""" ; + rdfs:label "dwell time" . + + +### http://nmrML.org/nmrCV#NMR:1400024 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The temperature of an item of analysis material whilst in an autosampler." ; + rdfs:label "sample temperature in autosampler" . + + +### http://nmrML.org/nmrCV#NMR:1400025 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The temperature of an NMR sample whilst in the magnet of an NMR instrument." ; + rdfs:label "sample temperature in magnet" . + + +### http://nmrML.org/nmrCV#NMR:1400026 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The frequency of the RF radiation used to irradiate an NMR sample." ; + rdfs:label "irradiation frequency" . + + +### http://nmrML.org/nmrCV#NMR:1400027 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The intensity of an electric, magnetic, or other field." ; + rdfs:label "field strength" . + + +### http://nmrML.org/nmrCV#NMR:1400028 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The rate at which an item of analysis material is spun." ; + rdfs:label "spinning rate" . + + +### http://nmrML.org/nmrCV#NMR:1400029 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: An indication of whether the nucleus being studied is the acquitsition nucleus." ; + rdfs:label "decoupled nucleus flag" . + + +### http://nmrML.org/nmrCV#NMR:1400031 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A compound added to a sample to alter its pH value." ; + rdfs:label "buffer information" . + + +### http://nmrML.org/nmrCV#NMR:1400032 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:CHEBI_23367 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A molecular entity that has a calibration compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + rdfs:label "calibration compound" . + + +### http://nmrML.org/nmrCV#NMR:1400033 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_228364 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_228364 + ] ; + obo:IAO_0000115 "A chemical shift calibration compound that has a chemical shift reference compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + dce:source "http://www.nmrnotes.org/NMRPages/refcomps.html" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/31" , + "https://github.com/nmrML/nmrML/issues/33" ; + rdfs:label "chemical shift reference compound" . + + +### http://nmrML.org/nmrCV#NMR:1400034 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The compound that produced a peak that is measured to assess the quality of a data set." ; + rdfs:label "quality check compound signal" . + + +### http://nmrML.org/nmrCV#NMR:1400037 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.bmrb.wisc.edu/tools/choose_pulse_info.php" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/40" ; + rdfs:comment "def: A sequence of excitation pulses." ; + rdfs:label "NMR pulse sequence" ; + skos:editorialNote """May later import from + +http://purl.obolibrary.org/obo/CHMO_0001841""" , + "See also http://www.jcamp-dx.org/protocols/NMR%20Pulse%20Sequences%20PAC%2079(11)%20pp1748-1764%202001.pdf" . + + +### http://nmrML.org/nmrCV#NMR:1400038 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "nmr-spectrum data processing" , + "post-FT data processing" ; + rdfs:comment "def: Automatic or manual procedures performed upon pre-processed NMR data sets that aim to summarise them or annotate them with speculative values." ; + rdfs:label "frequency domain data processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1400041 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "pre-FT data processing" ; + rdfs:comment """def: The post acquisition process of producing or refining a spectrum from raw data. + defprov: Daniel Schober""" ; + rdfs:label "time domain data processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1400042 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A data transformation that converts an NMR input data set into an output data set in a tracable and useful manner." ; + rdfs:label "NMR data processing" . + + +### http://nmrML.org/nmrCV#NMR:1400045 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A non FT based method for converting from the time to the frequency domain." ; + rdfs:label "non-fourier FID transformation" ; + owl:versionInfo "TODO:Exclusion guided definition." . + + +### http://nmrML.org/nmrCV#NMR:1400048 + rdf:type owl:Class ; + rdfs:subClassOf ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/37" ; + rdfs:comment """tempdef: A data processing which alteres a data file for a specific purpose. + defprov: Daniel Schober""" ; + rdfs:label "data encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400049 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. + defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf + synonym: GFT-projection""" ; + rdfs:label "G matrix fourier transform projection" . + + +### http://nmrML.org/nmrCV#NMR:1400051 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: TPPI""" ; + rdfs:label "time proportional phase incrementation" . + + +### http://nmrML.org/nmrCV#NMR:1400053 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A method for quadrature detection. + synonym: S-TPPI""" ; + rdfs:label "states-time proportional phase incrementation" . + + +### http://nmrML.org/nmrCV#NMR:1400054 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "Hadamard encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400056 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.magnet.fsu.edu/library/publications/NHMFL_Publication-6859.pdf" ; + rdfs:comment "defneed" ; + rdfs:label "Frydman encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400057 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "echo anti-echo coherence selection" . + + +### http://nmrML.org/nmrCV#NMR:1400059 + rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000832 ; + obo:IAO_0000233 ; + rdfs:comment """def: An Instrument which is used to carry out a NMR analysis of some sample. + synonym: NMR instrument""" ; + rdfs:label "NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400061 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. + altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. + synonym: NMR instrument acquisition parameter set""" ; + rdfs:label "NMR instrument acquisition parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400063 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + oboInOwl:hasBroadSynonym "method" ; + rdfs:comment "defneed" ; + rdfs:label "data transformation"@en ; + owl:versionInfo "altspcls: process ???" . + + +### http://nmrML.org/nmrCV#NMR:1400064 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca Serra" ; + obo:IAO_0000119 """http://pubs.acs.org/doi/pdf/10.1021/ac0519312 + +10.1021/ac0519312 + +Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets + +Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * +Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K.""" , + "http://stats.stackexchange.com/questions/35591/normalization-vs-scaling" ; + rdfs:label "normalisation" ; + skos:definition """normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. +This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples.""" . + + +### http://nmrML.org/nmrCV#NMR:1400066 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. + defprov: Daniel Schober""" ; + rdfs:label "pre-acquisition water suppression" . + + +### http://nmrML.org/nmrCV#NMR:1400068 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A function applied to a FID to increase the signal-to-noise ratio or the resolution." ; + dce:source "http://www.uwyo.edu/wheelernmr/nmr/window_functions.pdf" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/39" , + "https://github.com/nmrML/nmrML/issues/67" ; + oboInOwl:hasExactSynonym "apodization function" ; + rdfs:label "window function for apodization" . + + +### http://nmrML.org/nmrCV#NMR:1400069 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The exponential function used to multiply a FID by to produce a desitred amount of line broadening." ; + oboInOwl:hasExactSynonym "exponential apodization" ; + rdfs:comment """Functional form: + em(x_i) = exp(-pi*i*lb) + Parameters: + * data Array of spectral data. + * lp Exponential line broadening. + * inv Set True for inverse apodization.""" ; + rdfs:label "exponential multiplication window function" . + + +### http://nmrML.org/nmrCV#NMR:1400070 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "gaussian broadening" ; + rdfs:comment "defneed" ; + rdfs:label "Gaussian window function" . + + +### http://nmrML.org/nmrCV#NMR:1400071 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "sine" , + "sine bell window function" ; + rdfs:comment "defneed" ; + rdfs:label "sine window function" . + + +### http://nmrML.org/nmrCV#NMR:1400072 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "QSINE" ; + rdfs:comment "defneed" ; + rdfs:label "sine squared window" . + + +### http://nmrML.org/nmrCV#NMR:1400073 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A method for eliminating or reducing the noise in a spectrum." ; + rdfs:label "spectral denoising" . + + +### http://nmrML.org/nmrCV#NMR:1400074 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A method of flattening the baseline of a spectrum." ; + rdfs:label "baseline correction" . + + +### http://nmrML.org/nmrCV#NMR:1400075 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "A method of spectral projection." ; + rdfs:label "spectral projection" . + + +### http://nmrML.org/nmrCV#NMR:1400076 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "maximum intensity projection" . + + +### http://nmrML.org/nmrCV#NMR:1400077 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. + altdef: The adding of spectra together to produce a composite avergaed spectrum.""" ; + rdfs:label "summation projection" . + + +### http://nmrML.org/nmrCV#NMR:1400079 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. + altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width.""" ; + rdfs:label "zero order phase correction" . + + +### http://nmrML.org/nmrCV#NMR:1400080 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "first order phase correction" . + + +### http://nmrML.org/nmrCV#NMR:1400081 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "symmetrisation" . + + +### http://nmrML.org/nmrCV#NMR:1400083 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + rdfs:comment "def: The nucleus of an element or isotope that is being studied during an NMR analysis. Common NMR requirements include direct 1D and 2D proton-only NMR, direct observation of 13C NMR with 1H decoupling, direct observation of other nuclei such as 19F, 31P, 29Si, 31P, 27Al, and 15N (with or without 1H decoupling), triple resonance NMR (especially inverse triple resonance such as 1H observe, 13C and 15N decouple), and inverse 2D and 3D experiments such as HMQC and HMBC." ; + rdfs:label "acquisition nucleus" . + + +### http://nmrML.org/nmrCV#NMR:1400086 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A feature of a peak that is measured to assess the quality of a data set." ; + rdfs:label "quality check peak feature" . + + +### http://nmrML.org/nmrCV#NMR:1400087 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The number of repeat scans performed and summed to create the data set for an NMR sample." ; + rdfs:label "number of scans" . + + +### http://nmrML.org/nmrCV#NMR:1400088 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The number of scans whose data is not summed to create the data set for an NMR sample, but that are carried out to establish the steady-state of relaxation for the nuclei." ; + rdfs:label "number of steady state scans" . + + +### http://nmrML.org/nmrCV#NMR:1400089 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A scheme for producing a numerical representation of the environment of an atom." ; + rdfs:label "atom environment encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400090 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The delay between repeat scans to allow nuclei to relax back to their steady state." ; + rdfs:label "relaxation delay" . + + +### http://nmrML.org/nmrCV#NMR:1400091 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum).""" ; + rdfs:label "x-axis unit" . + + +### http://nmrML.org/nmrCV#NMR:1400092 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "y-axis unit" . + + +### http://nmrML.org/nmrCV#NMR:1400093 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The unit of measurement of the second dimension of a 2D NMR dataset." ; + rdfs:label "additional axis unit" . + + +### http://nmrML.org/nmrCV#NMR:1400094 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The initial time or frequency a FID or spectrum is recorded from.""" ; + rdfs:label "x start value" . + + +### http://nmrML.org/nmrCV#NMR:1400095 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum." ; + rdfs:label "x end value" . + + +### http://nmrML.org/nmrCV#NMR:1400096 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A parameter to a window function." ; + rdfs:label "window function parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400097 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca-Serra" ; + obo:IAO_0000119 """http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin""" ; + rdfs:comment "defneed" ; + rdfs:label "line broadening" ; + skos:definition """line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. +When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. +The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. +Line broadening may be caused by: +Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities.""" . + + +### http://nmrML.org/nmrCV#NMR:1400098 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca-Serra" ; + obo:IAO_0000119 """http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin""" ; + rdfs:comment "defneed" ; + rdfs:label "line sharpening" ; + skos:definition """line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. +Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering.""" . + + +### http://nmrML.org/nmrCV#NMR:1400101 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:comment "defneed" ; + rdfs:label "parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400105 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. + synonym: NMR spectral projection parameter set""" ; + rdfs:label "NMR spectral projection parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400106 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. + synonym: NMR spectrum post-processing parameter set""" ; + rdfs:label "NMR data post-processing parameter set" ; + owl:versionInfo "TODO: altsprcls: process, not clear wether set is plural (list) or process." . + + +### http://nmrML.org/nmrCV#NMR:1400107 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis + synonym: NMR quality check parameter set""" ; + rdfs:label "NMR quality check parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400108 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "excitation sculpting" ; + rdfs:comment """tempdef: A data processing technique used to suppress the water peak in a spectrum in order to get clearer results. + defprov: Daniel Schober""" ; + rdfs:label "post-acquisition water suppression" . + + +### http://nmrML.org/nmrCV#NMR:1400109 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. + synonym: HSVD""" ; + rdfs:label "hankel singular value decomposition" . + + +### http://nmrML.org/nmrCV#NMR:1400110 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "convolution" . + + +### http://nmrML.org/nmrCV#NMR:1400111 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "polynomial fitting" . + + +### http://nmrML.org/nmrCV#NMR:1400112 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A computational method that archieves water suppression via wavlet multi resolution analysis." ; + rdfs:label "WaveWat" . + + +### http://nmrML.org/nmrCV#NMR:1400114 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: NMR data pre-processing parameter set""" ; + rdfs:label "NMR data pre-processing parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400116 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The process of ensuring the quality of the raw data that results from an NMR analysis. + synonym: NMR quality check""" ; + rdfs:label "NMR quality check" . + + +### http://nmrML.org/nmrCV#NMR:1400117 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:comment "def: A reference is a label which refers to data elsewhere, as opposed to containing the data itself. Accessing the value that a reference refers to is called dereferencing it. References are fundamental in constructing many data structures and in exchanging information between different parts of programs and databases." ; + rdfs:label "reference" . + + +### http://nmrML.org/nmrCV#NMR:1400119 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "FID file reference" ; + rdfs:comment """def: A reference to a file containing the raw FID. + synonym: FID file reference""" ; + rdfs:label "FID file" . + + +### http://nmrML.org/nmrCV#NMR:1400120 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a description of a pulse sequence in the literature." ; + rdfs:label "pulse sequence literature reference" . + + +### http://nmrML.org/nmrCV#NMR:1400121 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a file containing a specfication of the shape of an excitation pulse." ; + rdfs:label "shaped pulse file" . + + +### http://nmrML.org/nmrCV#NMR:1400122 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a file containing a specification of a pulse sequence." ; + rdfs:label "pulse sequence file" . + + +### http://nmrML.org/nmrCV#NMR:1400123 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a file of data pre-processing parameters produced by the machine." ; + rdfs:label "processing parameter file" . + + +### http://nmrML.org/nmrCV#NMR:1400124 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "PRS: rename 'reference' to 'identifier'"@en , + """def: A reference to information on the provenance of the NMR sample. + synonym: NMR sample reference""" ; + rdfs:label "NMR sample identifier" . + + +### http://nmrML.org/nmrCV#NMR:1400126 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A result of an NMR quality check. + synonym: NMR quality check result""" ; + rdfs:label "NMR quality check descriptor" . + + +### http://nmrML.org/nmrCV#NMR:1400128 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A sample that has been prepared for chemical analysis by NMR." ; + rdfs:label "NMR sample" . + + +### http://nmrML.org/nmrCV#NMR:1400129 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A sample introduction parameter is a parameter that describes the particular method of introducing the sample under investigation into the NMR instrument." ; + rdfs:label "sample introduction parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400130 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: MAS rotor""" ; + rdfs:label "magic angle spinning rotor" . + + +### http://nmrML.org/nmrCV#NMR:1400131 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "flow probe" . + + +### http://nmrML.org/nmrCV#NMR:1400132 + rdf:type owl:Class ; + rdfs:subClassOf , + obo:OBI_0000836 ; + obo:IAO_0000115 "The sample-tube holds the NMR sample and sits in the NMR probe. It is usually a glass tube of 5-20mm diameter." ; + obo:IAO_0000233 ; + dce:source "http://en.wikipedia.org/wiki/NMR_tube" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/54" ; + oboInOwl:hasExactSynonym "sample tube" ; + rdfs:comment "sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID" ; + rdfs:label "NMR sample tube" . + + +### http://nmrML.org/nmrCV#NMR:1400134 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A software artifact used during data pre-processing." ; + rdfs:label "spectrum pre-processing software" . + + +### http://nmrML.org/nmrCV#NMR:1400135 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A software artifact used during spectral post-processing." ; + rdfs:label "spectrum post-processing software" . + + +### http://nmrML.org/nmrCV#NMR:1400137 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "peak picking" . + + +### http://nmrML.org/nmrCV#NMR:1400138 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "binning" ; + rdfs:comment """def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. + altdef: A type of automated integration which occurs across pre-defined regions for a spectrum.""" , + "for bucket parameters see 'binned spectrum descriptor'" ; + rdfs:label "bucketing" . + + +### http://nmrML.org/nmrCV#NMR:1400140 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "presaturation of the solvent resonance" ; + rdfs:comment """defneed + synonym: presaturation""" ; + rdfs:label "presat pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400141 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. + defprov: Daniel Schober + synonym: WET""" ; + rdfs:label "water suppression enhanced through T1 effects" ; + skos:altLabel "WET"@en . + + +### http://nmrML.org/nmrCV#NMR:1400142 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "NOESY presat" ; + rdfs:comment """tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. + defprov: Daniel Schober + synonym: NOESY-presat""" ; + rdfs:label "nuclear overhauser and exchange spectroscopy-presat" . + + +### http://nmrML.org/nmrCV#NMR:1400143 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "watergate" . + + +### http://nmrML.org/nmrCV#NMR:1400146 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not \"refocused\" by the refocus gradient (therefore, is not selected). + defprov: Daniel Schober""" ; + rdfs:label "coherence pathway rejection" . + + +### http://nmrML.org/nmrCV#NMR:1400147 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "flip-back watergate" . + + +### http://nmrML.org/nmrCV#NMR:1400148 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A jump and return pulse sequence method is a water suppression method that uses a defined pulse sequence to make fast exchanging protons visible." ; + rdfs:label "jump and return pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400149 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A jump and return 1-1 pulse sequence method is a jump and return method that uses one 90 degree pulse and one 90 degree return puls to make fast exchanging protons visible, first described by Plateau,P. and Gueron,M. (1982) J. Am. Chem. Soc., 104, 7310–7311. Compared to the 1-3-3-1 method it has a lower receiver gain and the dispersive tail of water interferes with the signals of interest." ; + rdfs:label "jump and return 1-1" . + + +### http://nmrML.org/nmrCV#NMR:1400150 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef:A jump and return 1-3-3-1 pulse sequence method is a jump and return method that uses a 1-3-3-1 pulse sequence to make fast exchanging protons visible. Compared to the 1-1 method it has better water suppression (higher receiver gain) capabilities, but with offset-dependent phase distortion (unsuitable for 2D)." ; + rdfs:label "jump and return 1-3-3-1" . + + +### http://nmrML.org/nmrCV#NMR:1400161 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 1D spectrum""" ; + rdfs:label "1D spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1400162 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 2D spectrum""" ; + rdfs:label "2D spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1400165 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 1D NMR acquisition parameter set""" ; + rdfs:label "1D NMR acquisition parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400166 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 2D NMR acquisition parameter set""" ; + rdfs:label "2D NMR acquisition parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400167 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. + defprov: Daniel Schober + synonym: 1D CPMG""" ; + rdfs:label "carr purcell meiboom gill pulse sequence" ; + skos:altLabel "CPMG"@en . + + +### http://nmrML.org/nmrCV#NMR:1400168 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TCOSY pulse sequence" ; + rdfs:comment """tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. + defprov: Daniel Schober + synonym:2D TOCSY pulse sequence""" ; + rdfs:label " total correlation spectroscopy pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400169 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). + synonym: 1D""" ; + rdfs:label "1D pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400170 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. + defprov: Daniel Schober + synonym: 2D J-resolved""" ; + rdfs:label "J-resolved pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400171 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 2D hadamard TOCSY""" ; + rdfs:label "hadamard total correlation spectroscopy pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400172 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 1D diffusion edited""" ; + rdfs:label "diffusion edited pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400185 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment """def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. + altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss.""" ; + rdfs:label "NMR magnet" . + + +### http://nmrML.org/nmrCV#NMR:1400186 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "Bruker NMR magnet" . + + +### http://nmrML.org/nmrCV#NMR:1400187 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "UltraShield" . + + +### http://nmrML.org/nmrCV#NMR:1400188 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Ultrastabilized" . + + +### http://nmrML.org/nmrCV#NMR:1400189 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "US 2" ; + owl:versionInfo "??? How to model \"hoch 2\"?" . + + +### http://nmrML.org/nmrCV#NMR:1400190 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "UltraShield Plus" . + + +### http://nmrML.org/nmrCV#NMR:1400191 + rdf:type owl:Class ; + rdfs:subClassOf , + ; + rdfs:comment """def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: + Significant S/N gains (with moderately salty samples also) + Short pulse widths + Short ring down times + Linear behavior in power response + Gradient capability + CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher + All high resolution probes have a lock circuit + All high resolution probes have Z-gradient + defprov: Bruker website""" ; + rdfs:label "Bruker CryoProbe" . + + +### http://nmrML.org/nmrCV#NMR:1400192 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. + defprov: Bruker website + altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. + synonyms: High resolution MAS, hr-MAS""" ; + rdfs:label "high resolution magic angle spin probe" . + + +### http://nmrML.org/nmrCV#NMR:1400193 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. + defprov: Bruker website + synonym: solid MAS probe""" ; + rdfs:label "solid magic angle spinning probe" . + + +### http://nmrML.org/nmrCV#NMR:1400194 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: + up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) + excellent solvent suppression properties + virtually no salt effect + discrete samples in tubes that can be sealed and stored + automation accessory for sample preparation and handling available + defprov: Bruker website""" ; + rdfs:label "1mm MicroProbe" . + + +### http://nmrML.org/nmrCV#NMR:1400195 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. + defprov: Bruker website + synonym: flow HR-probe""" ; + rdfs:label "flow high resolution probe" . + + +### http://nmrML.org/nmrCV#NMR:1400196 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "NMR instrument parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400197 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "AVANCE II spectrometer" ; + owl:versionInfo "TODO: May need no definition" . + + +### http://nmrML.org/nmrCV#NMR:1400198 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "Bruker NMR instrument" ; + foaf:homepage "https://www.bruker.com/de/products/mr/nmr.html" . + + +### http://nmrML.org/nmrCV#NMR:1400199 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "For metabolism studies, and analysis of complex mixtures." ; + rdfs:label "Metabolic Profiler instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400200 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "NMR Instruments using hyphenated analytical techniques combining mass spectrometry and chromatograph." ; + rdfs:label "Hyphenated NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400201 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Capillary LC-NMR" . + + +### http://nmrML.org/nmrCV#NMR:1400203 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. + defprov: Bruker website""" ; + rdfs:label "NMR Case" . + + +### http://nmrML.org/nmrCV#NMR:1400204 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment "defneed" ; + rdfs:label "NMR tube washing system" . + + +### http://nmrML.org/nmrCV#NMR:1400205 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment """def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. + defprov: Bruker website""" ; + rdfs:label "Bruker AutoClean" . + + +### http://nmrML.org/nmrCV#NMR:1400206 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. + defprov: Bruker website + synonym: Bruker Efficient Sample Transfer NMR""" ; + rdfs:label "Bruker BEST NMR" . + + +### http://nmrML.org/nmrCV#NMR:1400207 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. + The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back + defprov: website""" ; + rdfs:label "SampleRail" . + + +### http://nmrML.org/nmrCV#NMR:1400208 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. + The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. + defprov: Bruker website""" ; + rdfs:label "SampleJet" . + + +### http://nmrML.org/nmrCV#NMR:1400209 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "Bruker autosampler" . + + +### http://nmrML.org/nmrCV#NMR:1400210 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. + defprov: Bruker website""" ; + rdfs:label "B-ACS" . + + +### http://nmrML.org/nmrCV#NMR:1400211 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment """def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. + The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. + defprov: Bruker website + synonym: Bruker Multiple Adjustable Tube Clamp Holder""" ; + rdfs:label "Bruker MATCH" . + + +### http://nmrML.org/nmrCV#NMR:1400212 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment "def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample." ; + rdfs:label "NMR sample holder" . + + +### http://nmrML.org/nmrCV#NMR:1400213 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "NMR software" . + + +### http://nmrML.org/nmrCV#NMR:1400214 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "Bruker NMR software" ; + owl:versionInfo "TODO: May need no definition." . + + +### http://nmrML.org/nmrCV#NMR:1400215 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker TopSpin software" . + + +### http://nmrML.org/nmrCV#NMR:1400217 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "SampleTrack software" . + + +### http://nmrML.org/nmrCV#NMR:1400218 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Paravision software" . + + +### http://nmrML.org/nmrCV#NMR:1400219 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AURELIA software" . + + +### http://nmrML.org/nmrCV#NMR:1400220 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AUREMOL software" . + + +### http://nmrML.org/nmrCV#NMR:1400221 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AMIX VIEWER & AMIX-TOOLS" . + + +### http://nmrML.org/nmrCV#NMR:1400223 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. + defprov: Bruker website + synonym: HR Probe""" ; + rdfs:label "high resolution probe" . + + +### http://nmrML.org/nmrCV#NMR:1400224 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The ATM option for AVANCE spectrometers is available for: + Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. + defprov: Bruker website + synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM""" ; + rdfs:label "high resolution probe with ATM" . + + +### http://nmrML.org/nmrCV#NMR:1400225 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "micro imaging probe" . + + +### http://nmrML.org/nmrCV#NMR:1400226 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "JEOL NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400227 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECX Series FT NMR instrument" ; + skos:definition "The JNM-ECX series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials." . + + +### http://nmrML.org/nmrCV#NMR:1400228 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECA Series FT NMR instrument" ; + skos:definition "The JNM-ECA series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials." . + + +### http://nmrML.org/nmrCV#NMR:1400229 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL NMR software" . + + +### http://nmrML.org/nmrCV#NMR:1400230 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Delta NMR software" . + + +### http://nmrML.org/nmrCV#NMR:1400231 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "https://www.bruker.com/products/mr/nmr/probes/probes.html" ; + rdfs:label "Bruker NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400232 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "JEOL NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400233 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CapNMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400234 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Varian NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400235 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian MERCURY" . + + +### http://nmrML.org/nmrCV#NMR:1400236 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian INOVA" . + + +### http://nmrML.org/nmrCV#NMR:1400237 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian UNITY" . + + +### http://nmrML.org/nmrCV#NMR:1400238 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VXR" . + + +### http://nmrML.org/nmrCV#NMR:1400239 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian GEMINI" . + + +### http://nmrML.org/nmrCV#NMR:1400240 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AMX instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400241 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AC instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400242 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "liquid NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400243 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "solid NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400244 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "NMR imaging probe" . + + +### http://nmrML.org/nmrCV#NMR:1400246 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "tecmag console" . + + +### http://nmrML.org/nmrCV#NMR:1400247 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network + defprov: tecmag website""" ; + rdfs:label "DISCOVERY console" . + + +### http://nmrML.org/nmrCV#NMR:1400248 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. + defprov: website""" ; + rdfs:label "tecmag EAGLE probe" . + + +### http://nmrML.org/nmrCV#NMR:1400249 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "APOLLO console" . + + +### http://nmrML.org/nmrCV#NMR:1400250 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "tecmag NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400251 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CAT" . + + +### http://nmrML.org/nmrCV#NMR:1400253 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "magnetic field strength" . + + +### http://nmrML.org/nmrCV#NMR:1400254 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "vendor" ; + owl:versionInfo "TODO: Belongs in Ref Ontol." . + + +### http://nmrML.org/nmrCV#NMR:1400255 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000835 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000835 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000115 "A manufacturer that produces NMR instruments and/or their parts"@en ; + obo:IAO_0000233 ; + rdfs:label "NMR device manufacturer"@en . + + +### http://nmrML.org/nmrCV#NMR:1400262 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: In some cases, it is necessary or advisable to control the temperature of the sample at some value other than ambient. The sample may be only slightly solubility at room temperatures, or it may be desirable to control some aspect of the dynamics of the system. In such cases, a default temperature, or some means of selecting this parameter, can be built into the experiment." ; + rdfs:label "sample temperature information" . + + +### http://nmrML.org/nmrCV#NMR:1400267 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "data file" ; + skos:altLabel "file" ; + skos:definition "Any data file as generated by some acquisition computer or console." ; + skos:editorialNote "This is a class annotation exemplifying skos usage. We assume the rdfs:label to capture the skos:preferedLabel." ; + skos:example "an FID raw data file" ; + skos:scopeNote "In the NMR case a file generated by an NMR acquisition computer, console or NMR processing software." . + + +### http://nmrML.org/nmrCV#NMR:1400276 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "LC NMR" ; + rdfs:label "liquid chromatography NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400277 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "Includes the connection to a high-resolution TOF-LC-MS system." ; + rdfs:label "LC MS NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400278 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "SPE NMR" ; + rdfs:comment "A Solid Phase Extraction (SPE) system provides an interface between liquid chromatography (LC) and NMR. For the process of LC-SPE™ NMR a chromatographic separation is done and the peaks of interest are trapped on an individual SPE cartridge after the column. The peak selection is done either by UV detection or by evaluation of the on-line registered MS or MSn spectra." ; + rdfs:label "solid phase extraction NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400279 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "Capillary LC-NMR is a hyphenated technique coupling capillary liquid chromatography and NMR, which increases sensitivity dramatically through the use of miniaturization of the chromatographic techniques and NMR detection volume." ; + rdfs:label "Capillary LC-NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400280 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "direct detection probe" . + + +### http://nmrML.org/nmrCV#NMR:1400281 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "indirect detection probe" . + + +### http://nmrML.org/nmrCV#NMR:1400283 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """Continuous wave NMR spectrometers are similar in principle to optical spectrometers. The sample is held in a strong magnetic field, and the frequency of the source is slowly scanned (in some instruments, the source frequency is held constant, and the field is scanned). + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm""" ; + rdfs:label "continuous wave NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400284 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """In FT-NMR, all frequencies in a spectrum are irradiated simultaneously with a radio frequency pulse. Following the pulse, the nuclei return to thermal equilibrium. A time domain emission signal is recorded by the instrument as the nuclei relax. A frequency domain spectrum is obtained by Fourier transformation. + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm""" ; + rdfs:label "fourier transformation NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400285 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR software data format" . + + +### http://nmrML.org/nmrCV#NMR:1400286 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ChemMagnetics format" . + + +### http://nmrML.org/nmrCV#NMR:1400287 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "GE Omega format" . + + +### http://nmrML.org/nmrCV#NMR:1400288 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Lambda format" . + + +### http://nmrML.org/nmrCV#NMR:1400289 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Alpha format" . + + +### http://nmrML.org/nmrCV#NMR:1400290 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Jeol Delta format" . + + +### http://nmrML.org/nmrCV#NMR:1400291 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL generic format" . + + +### http://nmrML.org/nmrCV#NMR:1400292 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL AL95 format" . + + +### http://nmrML.org/nmrCV#NMR:1400295 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL EX format" . + + +### http://nmrML.org/nmrCV#NMR:1400296 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "TecMag format" . + + +### http://nmrML.org/nmrCV#NMR:1400297 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VNMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400298 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Galactic format" . + + +### http://nmrML.org/nmrCV#NMR:1400299 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Felix format" . + + +### http://nmrML.org/nmrCV#NMR:1400300 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JCAMP DX format" . + + +### http://nmrML.org/nmrCV#NMR:1400301 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Lybrics format" . + + +### http://nmrML.org/nmrCV#NMR:1400302 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Nuts format" . + + +### http://nmrML.org/nmrCV#NMR:1400303 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "MACNMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400304 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Nicolet GE/QE-300 format" . + + +### http://nmrML.org/nmrCV#NMR:1400305 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "m" ; + rdfs:comment "J-coupler" ; + rdfs:label "multiplet feature" . + + +### http://nmrML.org/nmrCV#NMR:1400318 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Net CDF format" . + + +### http://nmrML.org/nmrCV#NMR:1400319 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker DISNMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400320 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker UXNMR/XWIN-NMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400321 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker WIN NMR format" . + + +### http://nmrML.org/nmrCV#NMRCV:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000001 +obo:BFO_0000001 rdf:type owl:Class ; + rdfs:subClassOf owl:Thing ; + obo:BFO_0000179 "entity" ; + obo:BFO_0000180 "Entity" ; + obo:IAO_0000112 "Julius Caesar"@en , + "Verdi’s Requiem"@en , + "the Second World War"@en , + "your body mass index"@en ; + obo:IAO_0000116 "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81"@en , + "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; + obo:IAO_0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "entity"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000001 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" ; + rdfs:seeAlso + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000001 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000002 +obo:BFO_0000002 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000001 ; + owl:disjointWith obo:BFO_0000003 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom obo:BFO_0000003 + ] ; + obo:BFO_0000179 "continuant" ; + obo:BFO_0000180 "Continuant" ; + obo:IAO_0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , + "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; + obo:IAO_0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; + obo:IAO_0000601 "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en , + "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en , + "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; + obo:IAO_0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " , + "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " , + "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " , + "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000003 +obo:BFO_0000003 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000001 ; + owl:disjointWith [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom obo:BFO_0000002 + ] ; + obo:BFO_0000179 "occurrent" ; + obo:BFO_0000180 "Occurrent" ; + obo:IAO_0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , + "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , + "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , + "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; + obo:IAO_0000600 "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; + obo:IAO_0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en , + "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " , + "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "occurrent"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000004 +obo:BFO_0000004 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000002 ; + owl:disjointWith obo:BFO_0000020 , + obo:BFO_0000031 ; + obo:BFO_0000179 "ic" ; + obo:BFO_0000180 "IndependentContinuant" ; + obo:IAO_0000112 "a chair"@en , + "a heart"@en , + "a leg"@en , + "a molecule"@en , + "a spatial region"@en , + "an atom"@en , + "an orchestra."@en , + "an organism"@en , + "the bottom right portion of a human torso"@en , + "the interior of your mouth"@en ; + obo:IAO_0000115 "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; + obo:IAO_0000601 "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en , + "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; + obo:IAO_0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , + "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , + "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "independent continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000006 +obo:BFO_0000006 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000141 ; + owl:disjointWith obo:BFO_0000029 , + obo:BFO_0000140 ; + obo:BFO_0000179 "s-region" ; + obo:BFO_0000180 "SpatialRegion" ; + obo:IAO_0000116 "BFO 2 Reference: Spatial regions do not participate in processes."@en , + "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; + obo:IAO_0000600 "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; + obo:IAO_0000601 "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; + obo:IAO_0000602 "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " , + "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000008 +obo:BFO_0000008 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + owl:disjointWith obo:BFO_0000011 , + obo:BFO_0000015 , + obo:BFO_0000035 ; + obo:BFO_0000179 "t-region" ; + obo:BFO_0000180 "TemporalRegion" ; + obo:IAO_0000116 "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; + obo:IAO_0000600 "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; + obo:IAO_0000601 "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en , + "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; + obo:IAO_0000602 "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " , + "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " , + "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "temporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000009 +obo:BFO_0000009 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + owl:disjointWith obo:BFO_0000028 ; + obo:BFO_0000179 "2d-s-region" ; + obo:BFO_0000180 "TwoDimensionalSpatialRegion" ; + obo:IAO_0000112 "an infinitely thin plane in space."@en , + "the surface of a sphere-shaped part of space"@en ; + obo:IAO_0000600 "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "two-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000009 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000009 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000011 +obo:BFO_0000011 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + obo:BFO_0000179 "st-region" ; + obo:BFO_0000180 "SpatiotemporalRegion" ; + obo:IAO_0000112 "the spatiotemporal region occupied by a human life"@en , + "the spatiotemporal region occupied by a process of cellular meiosis."@en , + "the spatiotemporal region occupied by the development of a cancer tumor"@en ; + obo:IAO_0000600 "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; + obo:IAO_0000601 "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en , + "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en , + "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en , + "Every spatiotemporal region occupies_spatiotemporal_region itself."@en , + "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; + obo:IAO_0000602 "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " , + "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " , + "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " , + "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " , + "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "spatiotemporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000015 +obo:BFO_0000015 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + obo:BFO_0000179 "process" ; + obo:BFO_0000180 "Process" ; + obo:IAO_0000112 "a process of cell-division, \\ a beating of the heart"@en , + "a process of meiosis"@en , + "a process of sleeping"@en , + "the course of a disease"@en , + "the flight of a bird"@en , + "the life of an organism"@en , + "your process of aging."@en ; + obo:IAO_0000115 "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; + obo:IAO_0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; + obo:IAO_0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "process"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000015 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000015 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000016 +obo:BFO_0000016 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000017 ; + owl:disjointWith obo:BFO_0000023 ; + obo:BFO_0000179 "disposition" ; + obo:BFO_0000180 "Disposition" ; + obo:IAO_0000112 "an atom of element X has the disposition to decay to an atom of element Y"@en , + "certain people have a predisposition to colon cancer"@en , + "children are innately disposed to categorize objects in certain ways."@en , + "the cell wall is disposed to filter chemicals in endocytosis and exocytosis"@en ; + obo:IAO_0000116 "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type."@en ; + obo:IAO_0000600 "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; + obo:IAO_0000601 "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; + obo:IAO_0000602 "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " , + "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "disposition"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000017 +obo:BFO_0000017 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000020 ; + owl:disjointWith obo:BFO_0000019 ; + obo:BFO_0000179 "realizable" ; + obo:BFO_0000180 "RealizableEntity" ; + obo:IAO_0000112 "the disposition of this piece of metal to conduct electricity."@en , + "the disposition of your blood to coagulate"@en , + "the function of your reproductive organs"@en , + "the role of being a doctor"@en , + "the role of this boundary to delineate where Utah and Colorado meet"@en ; + obo:IAO_0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; + obo:IAO_0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; + obo:IAO_0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , + "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "realizable entity"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000018 +obo:BFO_0000018 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + owl:disjointWith obo:BFO_0000028 ; + obo:BFO_0000179 "0d-s-region" ; + obo:BFO_0000180 "ZeroDimensionalSpatialRegion" ; + obo:IAO_0000600 "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "zero-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000018 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000018 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000019 +obo:BFO_0000019 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000020 ; + obo:BFO_0000179 "quality" ; + obo:BFO_0000180 "Quality" ; + obo:IAO_0000112 "the ambient temperature of this portion of air"@en , + "the color of a tomato"@en , + "the length of the circumference of your waist"@en , + "the mass of this piece of gold."@en , + "the shape of your nose"@en , + "the shape of your nostril"@en ; + obo:IAO_0000600 "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; + obo:IAO_0000601 "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " , + "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "quality"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000020 +obo:BFO_0000020 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000002 ; + owl:disjointWith obo:BFO_0000031 ; + obo:BFO_0000179 "sdc" ; + obo:BFO_0000180 "SpecificallyDependentContinuant" ; + obo:IAO_0000112 "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en , + "of one-sided specifically dependent continuants: the mass of this tomato"@en , + "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en , + "the disposition of this fish to decay"@en , + "the function of this heart: to pump blood"@en , + "the mutual dependence of proton donors and acceptors in chemical reactions [79"@en , + "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction"@en , + "the pink color of a medium rare piece of grilled filet mignon at its center"@en , + "the role of being a doctor"@en , + "the shape of this hole."@en , + "the smell of this portion of mozzarella"@en ; + obo:IAO_0000115 "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; + obo:IAO_0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; + obo:IAO_0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "specifically dependent continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000023 +obo:BFO_0000023 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000017 ; + obo:BFO_0000179 "role" ; + obo:BFO_0000180 "Role" ; + obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , + "the priest role"@en , + "the role of a boundary to demarcate two neighboring administrative territories"@en , + "the role of a building in serving as a military target"@en , + "the role of a stone in marking a property boundary"@en , + "the role of subject in a clinical trial"@en , + "the student role"@en ; + obo:IAO_0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; + obo:IAO_0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "role"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000023 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000023 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000024 +obo:BFO_0000024 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:BFO_0000179 "fiat-object-part" ; + obo:BFO_0000180 "FiatObjectPart" ; + obo:IAO_0000112 "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29"@en , + "the FMA:regional parts of an intact human body."@en , + "the Western hemisphere of the Earth"@en , + "the division of the brain into regions"@en , + "the division of the planet into hemispheres"@en , + "the dorsal and ventral surfaces of the body"@en , + "the upper and lower lobes of the left lung"@en ; + obo:IAO_0000116 "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions"@en ; + obo:IAO_0000600 "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; + obo:IAO_0000602 "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "fiat object part"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000024 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000024 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000026 +obo:BFO_0000026 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + owl:disjointWith obo:BFO_0000028 ; + obo:BFO_0000179 "1d-s-region" ; + obo:BFO_0000180 "OneDimensionalSpatialRegion" ; + obo:IAO_0000112 "an edge of a cube-shaped portion of space."@en ; + obo:IAO_0000600 "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "one-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000026 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000026 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000027 +obo:BFO_0000027 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:BFO_0000179 "object-aggregate" ; + obo:BFO_0000180 "ObjectAggregate" ; + obo:IAO_0000112 "a collection of cells in a blood biobank."@en , + "a swarm of bees is an aggregate of members who are linked together through natural bonds"@en , + "a symphony orchestra"@en , + "an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)"@en , + "defined by fiat: the aggregate of members of an organization"@en , + "defined through physical attachment: the aggregate of atoms in a lump of granite"@en , + "defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container"@en , + "defined via attributive delimitations such as: the patients in this hospital"@en , + "the aggregate of bearings in a constant velocity axle joint"@en , + "the aggregate of blood cells in your body"@en , + "the nitrogen atoms in the atmosphere"@en , + "the restaurants in Palo Alto"@en , + "your collection of Meissen ceramic plates."@en ; + obo:IAO_0000116 "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " , + "BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee)."@en ; + obo:IAO_0000119 "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; + obo:IAO_0000600 "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; + obo:IAO_0000602 "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "object aggregate"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000119 ; + owl:annotatedTarget "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000028 +obo:BFO_0000028 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + obo:BFO_0000179 "3d-s-region" ; + obo:BFO_0000180 "ThreeDimensionalSpatialRegion" ; + obo:IAO_0000112 "a cube-shaped region of space"@en , + "a sphere-shaped region of space,"@en ; + obo:IAO_0000600 "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "three-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000028 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000028 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000029 +obo:BFO_0000029 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000141 ; + obo:BFO_0000179 "site" ; + obo:BFO_0000180 "Site" ; + obo:IAO_0000112 "Manhattan Canyon)"@en , + "a hole in the interior of a portion of cheese"@en , + "a rabbit hole"@en , + "an air traffic control region defined in the airspace above an airport"@en , + "the Grand Canyon"@en , + "the Piazza San Marco"@en , + "the cockpit of an aircraft"@en , + "the hold of a ship"@en , + "the interior of a kangaroo pouch"@en , + "the interior of the trunk of your car"@en , + "the interior of your bedroom"@en , + "the interior of your office"@en , + "the interior of your refrigerator"@en , + "the lumen of your gut"@en , + "your left nostril (a fiat part – the opening – of your left nasal cavity)"@en ; + obo:IAO_0000600 "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; + obo:IAO_0000602 "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "site"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000029 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000029 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000030 +obo:BFO_0000030 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:BFO_0000179 "object" ; + obo:BFO_0000180 "Object" ; + obo:IAO_0000112 "atom"@en , + "cell"@en , + "cells and organisms"@en , + "engineered artifacts"@en , + "grain of sand"@en , + "molecule"@en , + "organelle"@en , + "organism"@en , + "planet"@en , + "solid portions of matter"@en , + "star"@en ; + obo:IAO_0000116 "BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting."@en , + "BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below)."@en , + "BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47"@en , + "BFO 2 Reference: an object is a maximal causally unified material entity"@en , + "BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74"@en ; + obo:IAO_0000600 "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "object"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000030 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000031 +obo:BFO_0000031 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000002 ; + obo:BFO_0000179 "gdc" ; + obo:BFO_0000180 "GenericallyDependentContinuant" ; + obo:IAO_0000112 "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity."@en , + "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop"@en , + "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; + obo:IAO_0000115 "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; + obo:IAO_0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "generically dependent continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000031 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000031 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000034 +obo:BFO_0000034 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000016 ; + obo:BFO_0000179 "function" ; + obo:BFO_0000180 "Function" ; + obo:IAO_0000112 "the function of a hammer to drive in nails"@en , + "the function of a heart pacemaker to regulate the beating of a heart through electricity"@en , + "the function of amylase in saliva to break down starch into sugar"@en ; + obo:IAO_0000116 "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc."@en ; + obo:IAO_0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "function"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000034 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000034 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000035 +obo:BFO_0000035 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + obo:BFO_0000179 "p-boundary" ; + obo:BFO_0000180 "ProcessBoundary" ; + obo:IAO_0000112 "the boundary between the 2nd and 3rd year of your life."@en ; + obo:IAO_0000115 "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; + obo:IAO_0000601 "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; + obo:IAO_0000602 "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " , + "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "process boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000038 +obo:BFO_0000038 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000008 ; + owl:disjointWith obo:BFO_0000148 ; + obo:BFO_0000179 "1d-t-region" ; + obo:BFO_0000180 "OneDimensionalTemporalRegion" ; + obo:IAO_0000112 "the temporal region during which a process occurs."@en ; + obo:IAO_0000116 "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)."@en ; + obo:IAO_0000600 "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "one-dimensional temporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000038 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000038 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000040 +obo:BFO_0000040 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000004 ; + owl:disjointWith obo:BFO_0000141 ; + obo:BFO_0000179 "material" ; + obo:BFO_0000180 "MaterialEntity" ; + obo:IAO_0000112 "a flame"@en , + "a forest fire"@en , + "a human being"@en , + "a hurricane"@en , + "a photon"@en , + "a puff of smoke"@en , + "a sea wave"@en , + "a tornado"@en , + "an aggregate of human beings."@en , + "an energy wave"@en , + "an epidemic"@en , + "the undetached arm of a human being"@en ; + obo:IAO_0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , + "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , + "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en ; + obo:IAO_0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; + obo:IAO_0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , + "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; + obo:IAO_0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " , + "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " , + "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "material entity"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000140 +obo:BFO_0000140 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000141 ; + obo:BFO_0000179 "cf-boundary" ; + obo:BFO_0000180 "ContinuantFiatBoundary" ; + obo:IAO_0000115 "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; + obo:IAO_0000116 "BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions."@en , + "BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29"@en , + "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; + obo:IAO_0000601 "Every continuant fiat boundary is located at some spatial region at every time at which it exists"@en ; + obo:IAO_0000602 "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000141 +obo:BFO_0000141 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000004 ; + obo:BFO_0000179 "immaterial" ; + obo:BFO_0000180 "ImmaterialEntity" ; + obo:IAO_0000116 "BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "immaterial entity"@en . + + +### http://purl.obolibrary.org/obo/BFO_0000142 +obo:BFO_0000142 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000140 ; + owl:disjointWith obo:BFO_0000146 , + obo:BFO_0000147 ; + obo:BFO_0000179 "1d-cf-boundary" ; + obo:BFO_0000180 "OneDimensionalContinuantFiatBoundary" ; + obo:IAO_0000112 "The Equator"@en , + "all geopolitical boundaries"@en , + "all lines of latitude and longitude"@en , + "the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin."@en , + "the median sulcus of your tongue"@en ; + obo:IAO_0000600 "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; + obo:IAO_0000602 "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "one-dimensional continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000142 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000142 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000144 +obo:BFO_0000144 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + owl:disjointWith obo:BFO_0000182 ; + obo:BFO_0000179 "process-profile" ; + obo:BFO_0000180 "ProcessProfile" ; + obo:IAO_0000112 "On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels"@en , + "One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance."@en , + "The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on."@en ; + obo:IAO_0000115 "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; + obo:IAO_0000600 "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; + obo:IAO_0000602 "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " , + "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "process profile"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000145 +obo:BFO_0000145 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000019 ; + obo:BFO_0000179 "r-quality" ; + obo:BFO_0000180 "RelationalQuality" ; + obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , + "a marriage bond, an instance of requited love, an obligation between one person and another."@en ; + obo:IAO_0000115 "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; + obo:IAO_0000602 "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "relational quality"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000145 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000145 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000146 +obo:BFO_0000146 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000140 ; + obo:BFO_0000179 "2d-cf-boundary" ; + obo:BFO_0000180 "TwoDimensionalContinuantFiatBoundary" ; + obo:IAO_0000600 "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; + obo:IAO_0000602 "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "two-dimensional continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000146 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000146 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000147 +obo:BFO_0000147 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000140 ; + obo:BFO_0000179 "0d-cf-boundary" ; + obo:BFO_0000180 "ZeroDimensionalContinuantFiatBoundary" ; + obo:IAO_0000112 "the geographic North Pole"@en , + "the point of origin of some spatial coordinate system."@en , + "the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet"@en ; + obo:IAO_0000116 "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; + obo:IAO_0000600 "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; + obo:IAO_0000602 "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "zero-dimensional continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000147 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; + obo:IAO_0010000 ; + rdfs:comment "requested by Melanie Courtot" ; + rdfs:seeAlso + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000147 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000147 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000148 +obo:BFO_0000148 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000008 ; + obo:BFO_0000179 "0d-t-region" ; + obo:BFO_0000180 "ZeroDimensionalTemporalRegion" ; + obo:IAO_0000112 "a temporal region that is occupied by a process boundary"@en , + "right now"@en , + "the moment at which a child is born"@en , + "the moment at which a finger is detached in an industrial accident"@en , + "the moment of death."@en ; + obo:IAO_0000118 "temporal instant."@en ; + obo:IAO_0000600 "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "zero-dimensional temporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000148 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000148 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000182 +obo:BFO_0000182 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + obo:BFO_0000179 "history" ; + obo:BFO_0000180 "History" ; + obo:IAO_0000600 "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "history"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000182 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_139358 +obo:CHEBI_139358 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s)." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "isotopically modified compounds" ; + oboInOwl:id "CHEBI:139358" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "isotopically modified compound" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_139358 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "isotopically modified compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_156265 +obo:CHEBI_156265 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy." ; + chebi:charge "0" ; + chebi:formula "CD4O" ; + chebi:inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D" ; + chebi:inchikey "OKKJLVBELUTLKV-MZCSYVLQSA-N" ; + chebi:mass "36.066" ; + chebi:monoisotopicmass "36.05132" ; + chebi:smiles "[2H]OC([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:811-98-3" , + "PMID:19680377" , + "PMID:22819978" , + "PMID:28219117" , + "PMID:31837670" , + "Reaxys:1733278" , + "Wikipedia:Deuterated_methanol" ; + oboInOwl:hasExactSynonym "((2)H3)methan((2)H)ol" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "((2)H4)methanol" , + "CD3OD" , + "methan-d3-ol-d" , + "methyl alcohol-d4" , + "methyl-d3 alcohol d" , + "tetradeuteromethanol" , + "trideuterio deuteriooxy methane" ; + oboInOwl:id "CHEBI:156265" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "methanol-d4" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:811-98-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:811-98-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19680377" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22819978" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28219117" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31837670" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1733278" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((2)H3)methan((2)H)ol" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "((2)H4)methanol" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CD3OD" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methan-d3-ol-d" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl alcohol-d4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl-d3 alcohol d" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetradeuteromethanol" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trideuterio deuteriooxy methane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_16134 +obo:CHEBI_16134 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." ; + chebi:charge "0" ; + chebi:formula "H3N" ; + chebi:inchi "InChI=1S/H3N/h1H3" ; + chebi:inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" ; + chebi:mass "17.03056" ; + chebi:monoisotopicmass "17.02655" ; + chebi:smiles "[H]N([H])[H]" ; + oboInOwl:hasAlternativeId "CHEBI:13405" , + "CHEBI:13406" , + "CHEBI:13407" , + "CHEBI:13771" , + "CHEBI:22533" , + "CHEBI:44269" , + "CHEBI:44284" , + "CHEBI:44404" , + "CHEBI:7434" ; + oboInOwl:hasDbXref "CAS:7664-41-7" , + "Drug_Central:4625" , + "Gmelin:79" , + "HMDB:HMDB0000051" , + "KEGG:C00014" , + "KEGG:D02916" , + "KNApSAcK:C00007267" , + "MetaCyc:AMMONIA" , + "MolBase:930" , + "PDBeChem:NH3" , + "PMID:110589" , + "PMID:11139349" , + "PMID:11540049" , + "PMID:11746427" , + "PMID:11783653" , + "PMID:13753780" , + "PMID:14663195" , + "PMID:15092448" , + "PMID:15094021" , + "PMID:15554424" , + "PMID:15969015" , + "PMID:16008360" , + "PMID:16050680" , + "PMID:16348008" , + "PMID:16349403" , + "PMID:16614889" , + "PMID:16664306" , + "PMID:16842901" , + "PMID:17025297" , + "PMID:17439666" , + "PMID:17569513" , + "PMID:17737668" , + "PMID:18670398" , + "PMID:22002069" , + "PMID:22081570" , + "PMID:22088435" , + "PMID:22100291" , + "PMID:22130175" , + "PMID:22150211" , + "PMID:22240068" , + "PMID:22290316" , + "PMID:22342082" , + "PMID:22385337" , + "PMID:22443779" , + "PMID:22560242" , + "Reaxys:3587154" , + "Wikipedia:Ammonia" ; + oboInOwl:hasExactSynonym "AMMONIA" , + "Ammonia" , + "ammonia" , + "azane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Ammoniak" , + "NH3" , + "R-717" , + "[NH3]" , + "ammoniac" , + "amoniaco" , + "spirit of hartshorn" ; + oboInOwl:id "CHEBI:16134" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ammonia" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-41-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-41-7" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-41-7" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4625" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:79" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:110589" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11139349" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11540049" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11746427" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11783653" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:13753780" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:14663195" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15092448" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15094021" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15554424" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15969015" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16008360" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16050680" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16348008" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16349403" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16614889" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16664306" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16842901" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17025297" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17439666" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17569513" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17737668" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18670398" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22002069" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22081570" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22088435" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22100291" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22130175" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22150211" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22240068" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22290316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22342082" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22385337" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22443779" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22560242" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3587154" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "AMMONIA" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Ammonia" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ammonia" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "azane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ammoniak" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NH3" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NH3" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "R-717" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[NH3]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ammoniac" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "amoniaco" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "spirit of hartshorn" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_16227 +obo:CHEBI_16227 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_35568 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines." ; + chebi:charge "0" ; + chebi:formula "C5H5N" ; + chebi:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" ; + chebi:inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N" ; + chebi:mass "79.09990" ; + chebi:monoisotopicmass "79.04220" ; + chebi:smiles "c1ccncc1" ; + oboInOwl:hasAlternativeId "CHEBI:14974" , + "CHEBI:26415" , + "CHEBI:8662" ; + oboInOwl:hasDbXref "CAS:110-86-1" , + "Gmelin:1996" , + "HMDB:HMDB0000926" , + "KEGG:C00747" , + "PDBeChem:0PY" , + "PMID:24364496" , + "PMID:24425539" , + "PMID:8070089" , + "Reaxys:103233" , + "Wikipedia:Pyridine" ; + oboInOwl:hasExactSynonym "Pyridine" , + "pyridine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Azabenzene" , + "py" ; + oboInOwl:id "CHEBI:16227" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "pyridine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-86-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-86-1" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-86-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1996" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24364496" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24425539" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8070089" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:103233" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Pyridine" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pyridine" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pyridine" ; + oboInOwl:hasDbXref "UniProt" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Azabenzene" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "py" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176566 +obo:CHEBI_176566 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance." ; + chebi:charge "0" ; + chebi:formula "[43Ca]" ; + chebi:inchi "InChI=1S/Ca/i1+3" ; + chebi:inchikey "OYPRJOBELJOOCE-AKLPVKDBSA-N" ; + chebi:mass "42.959" ; + chebi:monoisotopicmass "42.95877" ; + chebi:smiles "[43Ca]" ; + oboInOwl:hasDbXref "CAS:14333-06-3" , + "PMID:11859764" , + "PMID:19117733" , + "PMID:20463996" , + "PMID:20574585" , + "PMID:23163540" , + "PMID:23398971" , + "PMID:24874995" , + "PMID:25306191" , + "PMID:29770988" , + "PMID:6548252" ; + oboInOwl:hasExactSynonym "((43)Ca)calcium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(43)20Ca" , + "(43)Ca" , + "(43)calcium" , + "Ca-43" , + "calcium, isotope of mass 43" , + "calcium-43" , + "calcium-43 isotope" ; + oboInOwl:id "CHEBI:176566" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "calcium-43 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14333-06-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11859764" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19117733" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20463996" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20574585" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23163540" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23398971" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24874995" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25306191" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29770988" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6548252" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((43)Ca)calcium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(43)20Ca" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(43)Ca" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(43)calcium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ca-43" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium, isotope of mass 43" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium-43" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium-43 isotope" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176572 +obo:CHEBI_176572 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[85Rb]" ; + chebi:inchi "InChI=1S/Rb/i1+0" ; + chebi:inchikey "IGLNJRXAVVLDKE-IGMARMGPSA-N" ; + chebi:mass "84.912" ; + chebi:monoisotopicmass "84.91179" ; + chebi:smiles "[85Rb]" ; + oboInOwl:hasDbXref "CAS:13982-12-2" , + "PMID:18026483" , + "PMID:18033464" , + "PMID:18291893" , + "PMID:18382518" , + "PMID:19855587" , + "PMID:25087142" , + "PMID:32909800" , + "PMID:33709729" , + "PMID:34170158" ; + oboInOwl:hasExactSynonym "((85)Rb)rubidium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(85)37Rb" , + "(85)Rb" , + "Rb-85" , + "rubidium, isotope of mass 85" , + "rubidium-85" ; + oboInOwl:id "CHEBI:176572" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "rubidium-85 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13982-12-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18026483" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18033464" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18291893" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18382518" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19855587" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25087142" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32909800" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33709729" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34170158" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((85)Rb)rubidium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(85)37Rb" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(85)Rb" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Rb-85" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rubidium, isotope of mass 85" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rubidium-85" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176578 +obo:CHEBI_176578 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[59Co]" ; + chebi:inchi "InChI=1S/Co/i1+0" ; + chebi:inchikey "GUTLYIVDDKVIGB-IGMARMGPSA-N" ; + chebi:mass "58.933" ; + chebi:monoisotopicmass "58.93319" ; + chebi:smiles "[59Co]" ; + oboInOwl:hasDbXref "PMID:10617436" , + "PMID:10940985" , + "PMID:11421673" , + "PMID:11528329" , + "PMID:12943912" , + "PMID:19150229" , + "PMID:19421527" , + "PMID:25069794" , + "PMID:25169133" , + "PMID:26066447" , + "PMID:26641288" , + "PMID:27355901" , + "PMID:30137661" , + "PMID:31367328" , + "PMID:32478347" ; + oboInOwl:hasExactSynonym "((59)Co)cobalt" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(59)27Co" , + "(59)Co" , + "Co-59" , + "cobalt, isotope of mass 59" , + "cobalt-(59)Co" , + "cobalt-59" ; + oboInOwl:id "CHEBI:176578" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "cobalt-59 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:10617436" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:10940985" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11421673" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11528329" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:12943912" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19150229" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19421527" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25069794" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25169133" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26066447" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26641288" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27355901" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30137661" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31367328" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32478347" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((59)Co)cobalt" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(59)27Co" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(59)Co" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Co-59" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cobalt, isotope of mass 59" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cobalt-(59)Co" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cobalt-59" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176583 +obo:CHEBI_176583 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[55Mn]" ; + chebi:inchi "InChI=1S/Mn/i1+0" ; + chebi:inchikey "PWHULOQIROXLJO-IGMARMGPSA-N" ; + chebi:mass "54.938" ; + chebi:monoisotopicmass "54.93804" ; + chebi:smiles "[55Mn]" ; + oboInOwl:hasDbXref "PMID:20645339" , + "PMID:21058720" , + "PMID:21341708" , + "PMID:24993844" , + "PMID:25179135" , + "PMID:25891681" ; + oboInOwl:hasExactSynonym "((55)Mn)manganese" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(55)25Mn" , + "(55)Mn" , + "Mn-55" , + "manganese, isotope of mass 55" , + "manganese-55" ; + oboInOwl:id "CHEBI:176583" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "manganese-55 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20645339" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21058720" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21341708" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24993844" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25179135" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25891681" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((55)Mn)manganese" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(55)25Mn" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(55)Mn" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Mn-55" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "manganese, isotope of mass 55" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "manganese-55" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176584 +obo:CHEBI_176584 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[75As]" ; + chebi:inchi "InChI=1S/As/i1+0" ; + chebi:inchikey "RQNWIZPPADIBDY-IGMARMGPSA-N" ; + chebi:mass "74.922" ; + chebi:monoisotopicmass "74.92159" ; + chebi:smiles "[75As]" ; + oboInOwl:hasExactSynonym "((75)As)arsenic" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(75)33As" , + "(75)As" , + "As-75" , + "arsenic, isotope of mass 75" , + "arsenic-75" ; + oboInOwl:id "CHEBI:176584" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "arsenic-75 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((75)As)arsenic" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(75)33As" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(75)As" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "As-75" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "arsenic, isotope of mass 75" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "arsenic-75" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_183318 +obo:CHEBI_183318 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups." ; + chebi:charge "0" ; + chebi:formula "C18H15P" ; + chebi:inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ; + chebi:inchikey "RIOQSEWOXXDEQQ-UHFFFAOYSA-N" ; + chebi:mass "262.292" ; + chebi:monoisotopicmass "262.09114" ; + chebi:smiles "C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1" ; + oboInOwl:hasDbXref "CAS:603-35-0" , + "Chemspider:11283" , + "HMDB:HMDB0259265" , + "PMCID:PMC8513919" , + "PMID:2531144" , + "PMID:31948233" , + "PMID:32124602" , + "PMID:32259335" , + "PMID:34260204" , + "PMID:34338057" , + "Reaxys:610776" , + "Wikipedia:Triphenylphosphine" ; + oboInOwl:hasExactSynonym "triphenylphosphane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "PP 360" , + "PPh3" , + "Ph3P" , + "TPP" , + "Triphenylphosphan" , + "Triphenylphosphin" , + "phosphorus triphenyl" , + "triphenyl phosphine" , + "triphenylphosphide" , + "triphenylphosphorus" ; + oboInOwl:id "CHEBI:183318" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "triphenylphosphine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:603-35-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:603-35-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMCID:PMC8513919" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2531144" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31948233" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32124602" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32259335" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34260204" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34338057" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:610776" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "triphenylphosphane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PP 360" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PPh3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ph3P" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TPP" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Triphenylphosphan" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Triphenylphosphin" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phosphorus triphenyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenyl phosphine" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphorus" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193038 +obo:CHEBI_193038 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D3N" ; + chebi:inchi "InChI=1S/C2H3N/c1-2-3/h1H3/i1D3" ; + chebi:inchikey "WEVYAHXRMPXWCK-FIBGUPNXSA-N" ; + chebi:mass "44.071" ; + chebi:monoisotopicmass "44.04538" ; + chebi:smiles "N#CC([H])([H])[H]" ; + oboInOwl:hasDbXref "CAS:2206-26-0" ; + oboInOwl:hasExactSynonym "2,2,2-trideuterioacetonitrile" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Acetonitril-d3" , + "CD3CN" , + "methyl-d3 cyanide" ; + oboInOwl:id "CHEBI:193038" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "acetonitrile-d3" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2206-26-0" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "2,2,2-trideuterioacetonitrile" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Acetonitril-d3" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CD3CN" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl-d3 cyanide" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193039 +obo:CHEBI_193039 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C6D6" ; + chebi:inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" ; + chebi:inchikey "UHOVQNZJYSORNB-MZWXYZOWSA-N" ; + chebi:mass "84.151" ; + chebi:monoisotopicmass "84.08461" ; + chebi:smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:1076-43-3" , + "Wikipedia:Deuterated_benzene" ; + oboInOwl:hasExactSynonym "((2)H6)benzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,2,3,4,5,6-hexadeuteriobenzene" , + "Benzol-d6" , + "benzene-1,2,3,4,5,6-d6" , + "hexadeuterobenzene" , + "perdeuterobenzene" ; + oboInOwl:id "CHEBI:193039" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "benzene-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1076-43-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1076-43-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((2)H6)benzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,2,3,4,5,6-hexadeuteriobenzene" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Benzol-d6" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "benzene-1,2,3,4,5,6-d6" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuterobenzene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perdeuterobenzene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193040 +obo:CHEBI_193040 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C3D7NO" ; + chebi:inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D" ; + chebi:inchikey "ZMXDDKWLCZADIW-YYWVXINBSA-N" ; + chebi:mass "80.138" ; + chebi:monoisotopicmass "80.09670" ; + chebi:smiles "O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:4472-41-7" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF" ; + oboInOwl:hasExactSynonym "1-deuterio-N,N-bis(trideuteriomethyl)formamide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "DMF-d7" , + "deuterated DMF" , + "heptadeutero-N,N-dimethylformamide" ; + oboInOwl:id "CHEBI:193040" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "N,N-dimethylformamide-d7" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:4472-41-7" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1-deuterio-N,N-bis(trideuteriomethyl)formamide" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DMF-d7" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated DMF" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "heptadeutero-N,N-dimethylformamide" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193041 +obo:CHEBI_193041 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D6OS" ; + chebi:inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3" ; + chebi:inchikey "IAZDPXIOMUYVGZ-WFGJKAKNSA-N" ; + chebi:mass "84.170" ; + chebi:monoisotopicmass "84.05160" ; + chebi:smiles "S(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:2206-27-1" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO" ; + oboInOwl:hasExactSynonym "trideuterio(trideuteriomethylsulfinyl)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "DMSO-d6" , + "deuterated DMSO" , + "hexadeuterodimethyl sulfoxide" ; + oboInOwl:id "CHEBI:193041" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "dimethyl sulfoxide-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2206-27-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trideuterio(trideuteriomethylsulfinyl)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DMSO-d6" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated DMSO" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuterodimethyl sulfoxide" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193042 +obo:CHEBI_193042 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CD2Cl2" ; + chebi:inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2" ; + chebi:inchikey "YMWUJEATGCHHMB-DICFDUPASA-N" ; + chebi:mass "86.940" ; + chebi:monoisotopicmass "85.96591" ; + chebi:smiles "ClC(Cl)([H])[H]" ; + oboInOwl:hasDbXref "CAS:1665-00-5" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane" ; + oboInOwl:hasExactSynonym "dichloro(dideuterio)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "methylene chloride-d2" ; + oboInOwl:id "CHEBI:193042" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "dichloromethane-d2" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1665-00-5" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dichloro(dideuterio)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methylene chloride-d2" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193043 +obo:CHEBI_193043 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D6O" ; + chebi:inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D" ; + chebi:inchikey "LFQSCWFLJHTTHZ-LIDOUZCJSA-N" ; + chebi:mass "52.106" ; + chebi:monoisotopicmass "52.07953" ; + chebi:smiles "O(C(C([H])([H])[H])([H])[H])[H]" ; + oboInOwl:hasDbXref "CAS:1516-08-1" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol" ; + oboInOwl:hasExactSynonym "1,1,1,2,2-pentadeuterio-2-deuteriooxyethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "deuterated ethanol" , + "ethyl-d5 alcohol-d" , + "hexadeuteroethanol" ; + oboInOwl:id "CHEBI:193043" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "ethanol-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1516-08-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,1,2,2-pentadeuterio-2-deuteriooxyethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated ethanol" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ethyl-d5 alcohol-d" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuteroethanol" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193044 +obo:CHEBI_193044 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C6D5NO2" ; + chebi:inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D" ; + chebi:inchikey "LQNUZADURLCDLV-RALIUCGRSA-N" ; + chebi:mass "128.142" ; + chebi:monoisotopicmass "128.06341" ; + chebi:smiles "[O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:4165-60-0" ; + oboInOwl:hasExactSynonym "1,2,3,4,5-pentadeuterio-6-nitrobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:193044" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "nitrobenzene-d5" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193044 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193044 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:4165-60-0" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193044 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,2,3,4,5-pentadeuterio-6-nitrobenzene" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193045 +obo:CHEBI_193045 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CD3NO2" ; + chebi:inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3" ; + chebi:inchikey "LYGJENNIWJXYER-FIBGUPNXSA-N" ; + chebi:mass "64.058" ; + chebi:monoisotopicmass "64.03521" ; + chebi:smiles "[O-][N+](=O)C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:13031-32-8" ; + oboInOwl:hasExactSynonym "trideuterio(nitro)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "deuterated nitromethane" , + "nitro(2H3)methane" ; + oboInOwl:id "CHEBI:193045" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "nitromethane-d3" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13031-32-8" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trideuterio(nitro)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated nitromethane" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitro(2H3)methane" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193046 +obo:CHEBI_193046 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_35568 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C5D5N" ; + chebi:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D" ; + chebi:inchikey "JUJWROOIHBZHMG-RALIUCGRSA-N" ; + chebi:mass "84.133" ; + chebi:monoisotopicmass "84.07358" ; + chebi:smiles "N1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:7291-22-7" ; + oboInOwl:hasExactSynonym "2,3,4,5,6-pentadeuteriopyridine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H5)pyridine" , + "deuterated pyridine" ; + oboInOwl:id "CHEBI:193046" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "pyridine-d5" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7291-22-7" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "2,3,4,5,6-pentadeuteriopyridine" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H5)pyridine" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated pyridine" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193047 +obo:CHEBI_193047 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C4D8O" ; + chebi:inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2" ; + chebi:inchikey "WYURNTSHIVDZCO-SVYQBANQSA-N" ; + chebi:mass "80.156" ; + chebi:monoisotopicmass "80.10773" ; + chebi:smiles "O1C(C(C(C1([H])[H])([H])[H])([H])[H])([H])[H]" ; + oboInOwl:hasDbXref "CAS:1693-74-9" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF" ; + oboInOwl:hasExactSynonym "2,2,3,3,4,4,5,5-octadeuteriooxolane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "THF-d8" , + "deuterated THF" , + "tetrahydrofuran-d8" ; + oboInOwl:id "CHEBI:193047" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "oxolane-d8" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1693-74-9" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "2,2,3,3,4,4,5,5-octadeuteriooxolane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "THF-d8" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated THF" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydrofuran-d8" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193048 +obo:CHEBI_193048 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C7D8" ; + chebi:inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D" ; + chebi:inchikey "YXFVVABEGXRONW-JGUCLWPXSA-N" ; + chebi:mass "100.190" ; + chebi:monoisotopicmass "100.11281" ; + chebi:smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:2037-26-5" ; + oboInOwl:hasExactSynonym "1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "octadeuterotoluene" , + "perdeuterated toluene" , + "perdeuteriotoluene" ; + oboInOwl:id "CHEBI:193048" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "toluene-d8" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2037-26-5" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "octadeuterotoluene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perdeuterated toluene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perdeuteriotoluene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193049 +obo:CHEBI_193049 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D4O2" ; + chebi:inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD" ; + chebi:inchikey "QTBSBXVTEAMEQO-GUEYOVJQSA-N" ; + chebi:mass "64.076" ; + chebi:monoisotopicmass "64.04624" ; + chebi:smiles "O(C(=O)C([2H])([2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:1186-52-3" ; + oboInOwl:hasExactSynonym "deuterio 2,2,2-trideuterioacetate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H3)acetic (2H)acid" , + "CD3COOD" , + "deuterated acetic acid" , + "tetradeuteroacetic acid" ; + oboInOwl:id "CHEBI:193049" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "acetic acid-d4" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1186-52-3" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterio 2,2,2-trideuterioacetate" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H3)acetic (2H)acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CD3COOD" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated acetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetradeuteroacetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193050 +obo:CHEBI_193050 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2DF3O2" ; + chebi:inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD" ; + chebi:inchikey "DTQVDTLACAAQTR-DYCDLGHISA-N" ; + chebi:mass "115.029" ; + chebi:monoisotopicmass "114.99914" ; + chebi:smiles "FC(F)(F)C(O[2H])=O" ; + oboInOwl:hasDbXref "CAS:599-00-8" ; + oboInOwl:hasExactSynonym "deuterio 2,2,2-trifluoroacetate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CF3COOD" , + "TFA-d" , + "deuterated trifluoroacetic acid" , + "deuterotrifluoroacetic acid" , + "trifluoroacetic acid-d" ; + oboInOwl:id "CHEBI:193050" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "trifluoroacetic acid-d1" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:599-00-8" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterio 2,2,2-trifluoroacetate" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CF3COOD" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TFA-d" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated trifluoroacetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterotrifluoroacetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trifluoroacetic acid-d" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193131 +obo:CHEBI_193131 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C2Cl3F3" ; + chebi:inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" ; + chebi:inchikey "AJDIZQLSFPQPEY-UHFFFAOYSA-N" ; + chebi:mass "187.370" ; + chebi:monoisotopicmass "185.90177" ; + chebi:smiles "C(C(Cl)(F)F)(F)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:76-13-1" , + "Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane" ; + oboInOwl:hasExactSynonym "1,1,2-trichloro-1,2,2-trifluoroethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CFC-113" , + "Freon 113" ; + oboInOwl:id "CHEBI:193131" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "1,1,2-Trichlorotrifluoroethane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:76-13-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,2-trichloro-1,2,2-trifluoroethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CFC-113" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Freon 113" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193132 +obo:CHEBI_193132 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CD2O2" ; + chebi:inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD" ; + chebi:inchikey "BDAGIHXWWSANSR-PFUFQJKNSA-N" ; + chebi:mass "48.037" ; + chebi:monoisotopicmass "48.01803" ; + chebi:smiles "O(C(=O)[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:920-42-3" ; + oboInOwl:hasExactSynonym "deuterio deuterioformate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H)formic (2)acid" , + "DCOOD" ; + oboInOwl:id "CHEBI:193132" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "formic acid-d2" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:920-42-3" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterio deuterioformate" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H)formic (2)acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DCOOD" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193133 +obo:CHEBI_193133 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CH3DO" ; + chebi:inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" ; + chebi:inchikey "OKKJLVBELUTLKV-VMNATFBRSA-N" ; + chebi:mass "33.048" ; + chebi:monoisotopicmass "33.03249" ; + chebi:smiles "O(C([H])([H])[H])[H]" ; + oboInOwl:hasDbXref "CAS:1455-13-6" ; + oboInOwl:hasExactSynonym "deuteriooxymethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "methyl alcohol-d1" , + "mono-deuteromethanol" ; + oboInOwl:id "CHEBI:193133" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "methanol-d1" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1455-13-6" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuteriooxymethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl alcohol-d1" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mono-deuteromethanol" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193134 +obo:CHEBI_193134 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D2Cl4" ; + chebi:inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D" ; + chebi:inchikey "QPFMBZIOSGYJDE-QDNHWIQGSA-N" ; + chebi:mass "169.850" ; + chebi:monoisotopicmass "167.90361" ; + chebi:smiles "ClC(Cl)(C(Cl)(Cl)[H])[H]" ; + oboInOwl:hasDbXref "CAS:33685-54-0" ; + oboInOwl:hasExactSynonym "1,1,2,2-tetrachloro-1,2-dideuterioethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TCE-d2" ; + oboInOwl:id "CHEBI:193134" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "1,1,2,2-tetrachlorethane-d2" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:33685-54-0" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,2,2-tetrachloro-1,2-dideuterioethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TCE-d2" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193135 +obo:CHEBI_193135 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D6O" ; + chebi:inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3" ; + chebi:inchikey "LCGLNKUTAGEVQW-WFGJKAKNSA-N" ; + chebi:mass "52.106" ; + chebi:monoisotopicmass "52.07953" ; + chebi:smiles "O(C([H])([H])[H])C([H])([H])[H]" ; + oboInOwl:hasDbXref "CAS:17222-37-6" ; + oboInOwl:hasExactSynonym "trideuterio(trideuteriomethoxy)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CD3)2O" , + "dimethyl-d6 ether" ; + oboInOwl:id "CHEBI:193135" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "dimethyl ether-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:17222-37-6" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trideuterio(trideuteriomethoxy)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CD3)2O" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "dimethyl-d6 ether" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193136 +obo:CHEBI_193136 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "FHO3S" ; + chebi:inchi "InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)" ; + chebi:inchikey "UQSQSQZYBQSBJZ-UHFFFAOYSA-N" ; + chebi:mass "100.060" ; + chebi:monoisotopicmass "99.96304" ; + chebi:smiles "S(=O)(F)(=O)O" ; + oboInOwl:hasDbXref "CAS:7789-21-1" , + "Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid" ; + oboInOwl:hasExactSynonym "sulfurofluoridic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "fluorosulfuric acid" , + "monofluorosulfuric acid" , + "perfluorosulfonic acid" ; + oboInOwl:id "CHEBI:193136" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "fluorosulfonic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-21-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfurofluoridic acid" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorosulfuric acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "monofluorosulfuric acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluorosulfonic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193146 +obo:CHEBI_193146 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "F5Sb" ; + chebi:inchi "InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5" ; + chebi:inchikey "VBVBHWZYQGJZLR-UHFFFAOYSA-I" ; + chebi:mass "216.752" ; + chebi:monoisotopicmass "215.89583" ; + chebi:smiles "[Sb](F)(F)(F)(F)F" ; + oboInOwl:hasDbXref "CAS:7783-70-2" , + "PMID:1113327" , + "Wikipedia:Antimony_pentafluoride" ; + oboInOwl:hasExactSynonym "antimony(V) fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Antimon(V)-fluorid" , + "pentafluoridoantimony" ; + oboInOwl:id "CHEBI:193146" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "antimony pentafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-70-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-70-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1113327" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "antimony(V) fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Antimon(V)-fluorid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "pentafluoridoantimony" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193148 +obo:CHEBI_193148 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "BrF5" ; + chebi:inchi "InChI=1S/BrF5/c2-1(3,4,5)6" ; + chebi:inchikey "XHVUVQAANZKEKF-UHFFFAOYSA-N" ; + chebi:mass "174.896" ; + chebi:monoisotopicmass "173.91035" ; + chebi:smiles "Br(F)(F)(F)(F)F" ; + oboInOwl:hasDbXref "CAS:7789-30-2" , + "Chemspider:23008" , + "Wikipedia:Bromine_pentafluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:193148" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "bromine pentafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193148 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193148 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-30-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193148 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-30-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_195173 +obo:CHEBI_195173 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C6H15O3SSi.Na" ; + chebi:inchi "InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1" ; + chebi:inchikey "HWEXKRHYVOGVDA-UHFFFAOYSA-M" ; + chebi:mass "218.320" ; + chebi:monoisotopicmass "218.04089" ; + chebi:smiles "S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+]" ; + oboInOwl:hasDbXref "Chemspider:67436" , + "KEGG:D84158" ; + oboInOwl:hasExactSynonym "sodium;3-trimethylsilylpropane-1-sulonate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:195173" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_195173 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_195173 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium;3-trimethylsilylpropane-1-sulonate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_197449 +obo:CHEBI_197449 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33232 , + obo:CHEBI_51086 ; + obo:IAO_0000115 "A solvent used in nuclear magnetic resonance (NMR) spectroscopy." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NMR solvents" , + "NMR-Loesemittel" , + "NMR-Loesungsmittel" ; + oboInOwl:id "CHEBI:197449" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "NMR solvent" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_197449 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR solvents" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_197449 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR-Loesemittel" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_197449 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR-Loesungsmittel" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_228364 +obo:CHEBI_228364 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33232 ; + obo:IAO_0000115 "Any compound that produces a peak used as reference frequency in the delta chemical shift scale." ; + obo:IAO_0000233 ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NMR chemical shift reference compounds" , + "NMR chemical shift standard" , + "NMR chemical shift standards" , + "NMR internal standard" , + "NMR internal standards" , + "NMR reference standard" , + "NMR reference standards" ; + oboInOwl:id "CHEBI:228364" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "NMR chemical shift reference compound" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + rdfs:comment "\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\"." ; + rdfs:isDefinedBy + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR chemical shift reference compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR chemical shift standard" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR chemical shift standards" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR internal standard" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR internal standards" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR reference standard" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR reference standards" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_228806 +obo:CHEBI_228806 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24870 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3." ; + chebi:charge "-1" ; + chebi:formula "C6H15O3SSi" ; + chebi:inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1" ; + chebi:inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-M" ; + chebi:mass "195.330" ; + chebi:monoisotopicmass "195.05167" ; + chebi:smiles "C[Si](C)(C)CCCS([O-])(=O)=O" ; + oboInOwl:hasDbXref "PMID:34273131" , + "PMID:37904798" , + "PMID:38404187" ; + oboInOwl:hasExactSynonym "3-(trimethylsilyl)propane-1-sulfonate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "2,2-dimethyl-2-silapentane-5-sulfonate" , + "3-(trimethylsilyl)-1-propanesulfonate" , + "DSS anion" ; + oboInOwl:id "CHEBI:228806" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "3-(trimethylsilyl)propane-1-sulfonate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34273131" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37904798" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38404187" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)propane-1-sulfonate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "2,2-dimethyl-2-silapentane-5-sulfonate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)-1-propanesulfonate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DSS anion" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229454 +obo:CHEBI_229454 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of yttrium(III)." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Y" ; + chebi:inchi "InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3" ; + chebi:inchikey "BXJPTTGFESFXJU-UHFFFAOYSA-N" ; + chebi:mass "274.918" ; + chebi:monoisotopicmass "274.86929" ; + chebi:smiles "[Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:10361-93-0" , + "PMID:21611672" , + "PMID:25966754" , + "PMID:28866266" , + "PMID:32349286" , + "PMID:36512970" , + "PMID:37102272" , + "Wikipedia:Yttrium(III)_nitrate" ; + oboInOwl:hasExactSynonym "yttrium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "nitric acid yttrium(3+) salt" , + "nitric acid, yttrium(3+) salt" , + "yttrium(3+) nitrate" , + "yttrium(III) nitrate" ; + oboInOwl:id "CHEBI:229454" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "yttrium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10361-93-0" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21611672" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25966754" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28866266" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32349286" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36512970" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37102272" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "yttrium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid yttrium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, yttrium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "yttrium(3+) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "yttrium(III) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229455 +obo:CHEBI_229455 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organocadmium compound that is cadmium substituted by two methyl groups." ; + chebi:charge "0" ; + chebi:formula "C2H6Cd" ; + chebi:inchi "InChI=1S/2CH3.Cd/h2*1H3;" ; + chebi:inchikey "KVVGSXJGEUULNM-UHFFFAOYSA-N" ; + chebi:mass "142.484" ; + chebi:monoisotopicmass "143.95031" ; + chebi:smiles "C[Cd]C" ; + oboInOwl:hasDbXref "CAS:506-82-1" , + "PMID:11671234" , + "PMID:1916391" , + "PMID:22295998" , + "PMID:22409081" , + "PMID:27457504" , + "PMID:28125780" , + "PMID:28613888" , + "PMID:31145405" , + "Wikipedia:Dimethylcadmium" ; + oboInOwl:hasExactSynonym "dimethylcadmium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Me2Cd" , + "cadmium(2+) carbanide" ; + oboInOwl:id "CHEBI:229455" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethylcadmium" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:506-82-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11671234" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1916391" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22295998" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22409081" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27457504" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28125780" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28613888" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31145405" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethylcadmium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Me2Cd" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cadmium(2+) carbanide" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229456 +obo:CHEBI_229456 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group." ; + chebi:charge "0" ; + chebi:formula "F4OXe" ; + chebi:inchi "InChI=1S/F4OXe/c1-6(2,3,4)5" ; + chebi:inchikey "ONRYXFFHIXYZMZ-UHFFFAOYSA-N" ; + chebi:mass "223.286" ; + chebi:monoisotopicmass "223.89268" ; + chebi:smiles "F[Xe](F)(F)(F)=O" ; + oboInOwl:hasDbXref "CAS:13774-85-1" , + "Wikipedia:Xenon_oxytetrafluoride" ; + oboInOwl:hasExactSynonym "tetrafluoro(oxido)xenon" , + "xenon oxytetrafluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "XeOF4" , + "xenon fluoride oxide (XeF4O)" , + "xenon fluoride oxide (XeOF4)" , + "xenon monoxide tetrafluoride" , + "xenon oxide fluoride (XeOF4)" , + "xenon oxyfluoride (XeOF4)" , + "xenon tetrafluoride monoxide" , + "xenon tetrafluoride oxide" ; + oboInOwl:id "CHEBI:229456" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "xenon oxytetrafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13774-85-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetrafluoro(oxido)xenon" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "xenon oxytetrafluoride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "XeOF4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon fluoride oxide (XeF4O)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon fluoride oxide (XeOF4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon monoxide tetrafluoride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon oxide fluoride (XeOF4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon oxyfluoride (XeOF4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon tetrafluoride monoxide" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon tetrafluoride oxide" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229457 +obo:CHEBI_229457 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C15H24O6Rh" ; + chebi:mass "403.256" ; + chebi:monoisotopicmass "403.06279" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:229457" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "rhodium acetylacetonate" . + + +### http://purl.obolibrary.org/obo/CHEBI_229458 +obo:CHEBI_229458 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of thallium(III)." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Tl" ; + chebi:inchi "InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3" ; + chebi:inchikey "KLBIUKJOZFWCLW-UHFFFAOYSA-N" ; + chebi:mass "390.390" ; + chebi:monoisotopicmass "390.93788" ; + chebi:smiles "[Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:13746-98-0" , + "PMID:12003571" , + "PMID:1219781" , + "PMID:13464463" , + "PMID:15433618" , + "PMID:20377233" , + "PMID:20472438" , + "PMID:25891454" , + "PMID:33577652" , + "PMID:38104746" , + "Wikipedia:Thallium(III)_nitrate" ; + oboInOwl:hasExactSynonym "thallium(3+) trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Tl(NO3)3" , + "nitric acid thallium(3+) salt" , + "nitric acid, thallium(3+) salt" , + "nitric acid, thallium(3+) salt (3:1)" , + "thallic nitrate" , + "thallium nitrate" , + "thallium trinitrate" , + "trinitric acid thallium(III) salt" ; + oboInOwl:id "CHEBI:229458" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "thallium(III) nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13746-98-0" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:12003571" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1219781" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:13464463" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15433618" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20377233" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20472438" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25891454" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33577652" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38104746" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "thallium(3+) trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tl(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid thallium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, thallium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, thallium(3+) salt (3:1)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "thallic nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "thallium nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "thallium trinitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trinitric acid thallium(III) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231495 +obo:CHEBI_231495 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C4H10O.BF3" ; + chebi:inchi "InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;" ; + chebi:inchikey "KZMGYPLQYOPHEL-UHFFFAOYSA-N" ; + chebi:mass "141.930" ; + chebi:monoisotopicmass "142.07768" ; + chebi:smiles "B(F)(F)F.O(CC)CC" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "BF3.Et2O" ; + oboInOwl:id "CHEBI:231495" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Boron trifluoride etherate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231495 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "BF3.Et2O" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231498 +obo:CHEBI_231498 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic nitrate salt having Sc(3+) as the counterion." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Sc" ; + chebi:inchi "InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3" ; + chebi:inchikey "DFCYEXJMCFQPPA-UHFFFAOYSA-N" ; + chebi:mass "230.968" ; + chebi:monoisotopicmass "230.91936" ; + chebi:smiles "[Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "PMID:23350751" , + "PMID:30080026" , + "PMID:35335383" , + "Wikipedia:13465-60-6" , + "Wikipedia:Scandium_nitrate" ; + oboInOwl:hasExactSynonym "scandium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Sc(NO3)3" , + "nitric acid scandium(3+) salt" , + "nitric acid, scandium(3+) salt" , + "scandium nitrate (Sc(NO3)3)" , + "scandium(3+) nitrate" , + "scandium(3+) trinitrate" , + "scandium(III) nitrate" , + "tris(nitrato-O,O')scandium" ; + oboInOwl:id "CHEBI:231498" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "scandium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23350751" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30080026" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35335383" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "scandium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sc(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid scandium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, scandium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium nitrate (Sc(NO3)3)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium(3+) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium(3+) trinitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium(III) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tris(nitrato-O,O')scandium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231499 +obo:CHEBI_231499 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 ; + obo:IAO_0000115 "A titanium molecular entity that is titanium which carries 4 chlorine atoms." ; + chebi:charge "0" ; + chebi:formula "Cl4Ti" ; + chebi:inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" ; + chebi:inchikey "XJDNKRIXUMDJCW-UHFFFAOYSA-J" ; + chebi:mass "189.670" ; + chebi:monoisotopicmass "187.82335" ; + chebi:smiles "Cl[Ti](Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:7550-45-0" , + "PMID:30210541" , + "PMID:31459120" , + "PMID:32551348" , + "PMID:32775858" , + "PMID:33403630" , + "PMID:33511532" , + "PMID:33715746" , + "PMID:34252674" , + "PMID:34380292" , + "PMID:34528791" , + "PMID:35166548" , + "PMID:35613484" , + "PMID:36272804" , + "PMID:36415852" , + "PMID:36615254" , + "PMID:36615464" , + "PMID:36758354" , + "PMID:36982242" , + "PMID:37582091" , + "PMID:37629812" , + "PMID:37931042" , + "PMID:38282685" , + "PMID:38334535" , + "PMID:38398529" , + "PMID:38656102" , + "PMID:7378496" , + "Wikipedia:Titanium_tetrachloride" ; + oboInOwl:hasExactSynonym "titanium(4+) tetrachloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TiCl4" , + "tetrachlorotitanium" , + "titanium chloride" , + "titanium chloride (TiCl4)" , + "titanium(IV) chloride" , + "titanium(IV) tetrachloride" ; + oboInOwl:id "CHEBI:231499" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "titanium tetrachloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7550-45-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30210541" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31459120" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32551348" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32775858" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33403630" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33511532" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33715746" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34252674" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34380292" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34528791" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35166548" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35613484" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36272804" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36415852" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36615254" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36615464" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36758354" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36982242" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37582091" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37629812" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37931042" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38282685" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38334535" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38398529" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38656102" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7378496" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "titanium(4+) tetrachloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TiCl4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrachlorotitanium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium chloride (TiCl4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium(IV) chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium(IV) tetrachloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231500 +obo:CHEBI_231500 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "Cl3OV" ; + chebi:inchi "InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3" ; + chebi:inchikey "JBIQAPKSNFTACH-UHFFFAOYSA-K" ; + chebi:mass "173.290" ; + chebi:monoisotopicmass "171.84543" ; + chebi:smiles "[V](Cl)(=O)(Cl)Cl" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231500" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Vanadium oxytrichloride" . + + +### http://purl.obolibrary.org/obo/CHEBI_231502 +obo:CHEBI_231502 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 ; + chebi:charge "0" ; + chebi:formula "CN.CN.CN.CN.CN.CN.Co.K.K.K" ; + chebi:inchi "InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1" ; + chebi:inchikey "LGRDAQPMSDIUQJ-UHFFFAOYSA-N" ; + chebi:mass "332.336" ; + chebi:monoisotopicmass "331.84276" ; + chebi:smiles "[Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231502" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium cobalticyanide" . + + +### http://purl.obolibrary.org/obo/CHEBI_231503 +obo:CHEBI_231503 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu" ; + chebi:inchi "InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1" ; + chebi:inchikey "FXYIJMLSVDZYOJ-UHFFFAOYSA-M" ; + chebi:mass "327.200" ; + chebi:monoisotopicmass "325.98431" ; + chebi:smiles "Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231503" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Cu(MeCN)4ClO4" . + + +### http://purl.obolibrary.org/obo/CHEBI_231504 +obo:CHEBI_231504 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "An inorganic nitrate salt having zinc(2+) as the couterion." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.Zn" ; + chebi:inchi "InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2" ; + chebi:inchikey "ONDPHDOFVYQSGI-UHFFFAOYSA-N" ; + chebi:mass "189.390" ; + chebi:monoisotopicmass "187.90478" ; + chebi:smiles "[Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:7779-88-6" , + "PMID:26491297" , + "PMID:31398835" , + "PMID:35057288" , + "PMID:35685711" , + "PMID:37828577" , + "PMID:38356607" , + "Wikipedia:Zinc_nitrate" ; + oboInOwl:hasExactSynonym "zinc dinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Zn(NO3)2" , + "nitric acid zinc salt" , + "nitric acid, zinc salt" , + "zinc(II) nitrate" ; + oboInOwl:id "CHEBI:231504" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "zinc nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7779-88-6" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26491297" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31398835" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35057288" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35685711" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37828577" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38356607" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "zinc dinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Zn(NO3)2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid zinc salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, zinc salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "zinc(II) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231505 +obo:CHEBI_231505 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of gallium." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Ga" ; + chebi:inchi "InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1" ; + chebi:inchikey "CHPZKNULDCNCBW-UHFFFAOYSA-N" ; + chebi:mass "255.735" ; + chebi:monoisotopicmass "254.88903" ; + chebi:smiles "[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasAlternativeId "CHEBI:5269" ; + oboInOwl:hasDbXref "CAS:13494-90-1" , + "DrugBank:DB05260" , + "PMID:23959335" , + "PMID:24060870" , + "PMID:24656780" , + "PMID:26055478" , + "PMID:26149986" , + "PMID:26369125" , + "PMID:26647856" , + "PMID:26885514" , + "PMID:27027708" , + "PMID:29394029" , + "PMID:31216793" , + "PMID:31264851" , + "PMID:31475514" , + "PMID:31773196" , + "PMID:32845117" , + "PMID:32896958" , + "PMID:33078927" , + "PMID:33257448" , + "PMID:33715736" , + "PMID:34065605" , + "PMID:34133200" , + "PMID:34346692" , + "PMID:34775292" , + "PMID:35564180" , + "PMID:36049087" , + "PMID:36385992" , + "PMID:36621329" , + "PMID:37272820" , + "PMID:37471668" , + "PMID:38672503" , + "PMID:7428136" , + "Wikipedia:Gallium_nitrate" ; + oboInOwl:hasExactSynonym "gallium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Ga(NO3)3" , + "Ganite" , + "gallium nitrate anhydrous" , + "gallium(III) nitrate" , + "nitric acid gallium salt" , + "nitric acid, gallium salt" ; + oboInOwl:id "CHEBI:231505" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "gallium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13494-90-1" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23959335" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24060870" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24656780" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26055478" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26149986" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26369125" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26647856" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26885514" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27027708" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29394029" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31216793" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31264851" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31475514" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31773196" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32845117" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32896958" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33078927" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33257448" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33715736" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34065605" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34133200" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34346692" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34775292" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35564180" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36049087" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36385992" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36621329" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37272820" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37471668" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38672503" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7428136" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "gallium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ga(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ganite" ; + oboInOwl:hasDbXref "DrugBank" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "gallium nitrate anhydrous" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "gallium(III) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid gallium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, gallium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231506 +obo:CHEBI_231506 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organogermanium compound that is germanium which carries four methyl groups." ; + chebi:charge "0" ; + chebi:formula "C4H12Ge" ; + chebi:inchi "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3" ; + chebi:inchikey "ZRLCXMPFXYVHGS-UHFFFAOYSA-N" ; + chebi:mass "132.770" ; + chebi:monoisotopicmass "134.01508" ; + chebi:smiles "C[Ge](C)(C)C" ; + oboInOwl:hasDbXref "CAS:865-52-1" , + "PMID:15112560" , + "PMID:15913252" , + "PMID:16610821" , + "PMID:20305357" , + "PMID:23753000" , + "PMID:26617304" , + "PMID:30849877" ; + oboInOwl:hasExactSynonym "tetramethylgermane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)4Ge" , + "Ge(CH3)4" , + "Me4Ge" , + "tetramethyl germanium" , + "tetramethylgermanium" ; + oboInOwl:id "CHEBI:231506" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylgermane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:865-52-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15112560" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15913252" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16610821" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20305357" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23753000" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26617304" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30849877" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylgermane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)4Ge" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ge(CH3)4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Me4Ge" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethyl germanium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethylgermanium" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231507 +obo:CHEBI_231507 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "AsF6.Na" ; + chebi:inchi "InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1" ; + chebi:inchikey "NFXMAZFYHDSPPB-UHFFFAOYSA-N" ; + chebi:mass "211.902" ; + chebi:monoisotopicmass "211.90178" ; + chebi:smiles "[As-](F)(F)(F)(F)(F)F.[Na+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231507" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Sodium hexafluoroarsenate" . + + +### http://purl.obolibrary.org/obo/CHEBI_231508 +obo:CHEBI_231508 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C10H10Cl2Zr" ; + chebi:inchi "InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2" ; + chebi:inchikey "QRUYYSPCOGSZGQ-UHFFFAOYSA-L" ; + chebi:mass "292.310" ; + chebi:monoisotopicmass "289.92066" ; + chebi:smiles "[Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231508" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Zirconocene dichloride" . + + +### http://purl.obolibrary.org/obo/CHEBI_231509 +obo:CHEBI_231509 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "H4N.O4Tc" ; + chebi:inchi "InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1" ; + chebi:inchikey "WJULHBIORCQBSY-UHFFFAOYSA-O" ; + chebi:mass "179.040" ; + chebi:monoisotopicmass "179.01000" ; + chebi:smiles "[Tc](=O)([O-])(=O)=O.[NH4+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231509" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Ammonium pertechnetate" . + + +### http://purl.obolibrary.org/obo/CHEBI_231510 +obo:CHEBI_231510 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C6N6Ru.K.K.K.K" ; + chebi:inchi "InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2" ; + chebi:inchikey "FRCBOHAGKUJBHE-UHFFFAOYSA-N" ; + chebi:mass "413.570" ; + chebi:monoisotopicmass "413.77761" ; + chebi:smiles "[CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231510" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium hexacyanoruthenate(ii)" . + + +### http://purl.obolibrary.org/obo/CHEBI_231511 +obo:CHEBI_231511 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "Cl6Pd.K.K" ; + chebi:inchi "InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6" ; + chebi:inchikey "OEDRXJBJMMJUSV-UHFFFAOYSA-H" ; + chebi:mass "397.320" ; + chebi:monoisotopicmass "393.64401" ; + chebi:smiles "[Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231511" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium hexachloropalladate(IV)" . + + +### http://purl.obolibrary.org/obo/CHEBI_231512 +obo:CHEBI_231512 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The trinitrate salt of indium." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.In" ; + chebi:inchi "InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1" ; + chebi:inchikey "LKRFCKCBYVZXTC-UHFFFAOYSA-N" ; + chebi:mass "300.830" ; + chebi:monoisotopicmass "300.86733" ; + chebi:smiles "[In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:13770-61-1" , + "PMID:31152235" , + "PMID:38456408" , + "PMID:38787340" , + "Wikipedia:Indium(III)_nitrate" ; + oboInOwl:hasExactSynonym "indium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "In(NO3)3" , + "indium nitrate" , + "indium(III) nitrate anhydrous" , + "nitric acid indium(3+) salt" , + "nitric acid, indium(3+) salt" ; + oboInOwl:id "CHEBI:231512" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "indium(III) nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13770-61-1" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31152235" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38456408" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38787340" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "indium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "In(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "indium nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "indium(III) nitrate anhydrous" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid indium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, indium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231513 +obo:CHEBI_231513 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "Cl6Sb.K" ; + chebi:inchi "InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6" ; + chebi:inchikey "QWPXFQMWSGNALL-UHFFFAOYSA-H" ; + chebi:mass "373.560" ; + chebi:monoisotopicmass "369.68063" ; + chebi:smiles "[Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231513" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Kaliumhexachloroantimonat(V)" . + + +### http://purl.obolibrary.org/obo/CHEBI_231514 +obo:CHEBI_231514 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "The inorganic nitrate salt of caesium." ; + chebi:charge "0" ; + chebi:formula "NO3.Cs" ; + chebi:inchi "InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1" ; + chebi:inchikey "NLSCHDZTHVNDCP-UHFFFAOYSA-N" ; + chebi:mass "194.909" ; + chebi:monoisotopicmass "194.89327" ; + chebi:smiles "[Cs+].[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:7789-18-6" , + "PMID:10855667" , + "PMID:11080873" , + "PMID:16755612" , + "PMID:17117865" , + "PMID:30151534" , + "PMID:35411853" , + "Wikipedia:Caesium_nitrate" ; + oboInOwl:hasExactSynonym "caesium nitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CsNO3" , + "cesium nitrate" , + "nitric acid cesium salt" , + "nitric acid, cesium salt" ; + oboInOwl:id "CHEBI:231514" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "caesium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-18-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:10855667" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11080873" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16755612" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17117865" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30151534" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35411853" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "caesium nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CsNO3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cesium nitrate" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid cesium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, cesium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231515 +obo:CHEBI_231515 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "The trichloride salt of lanthanum." ; + chebi:charge "0" ; + chebi:formula "Cl3La" ; + chebi:inchi "InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3" ; + chebi:inchikey "ICAKDTKJOYSXGC-UHFFFAOYSA-K" ; + chebi:mass "245.260" ; + chebi:monoisotopicmass "243.81292" ; + chebi:smiles "Cl[La](Cl)Cl" ; + oboInOwl:hasDbXref "CAS:10099-58-8" , + "PMID:25048927" , + "PMID:29698762" , + "PMID:30116365" , + "PMID:30617363" , + "PMID:31187842" , + "PMID:31776842" , + "PMID:32461997" , + "PMID:33206094" , + "PMID:34688703" , + "PMID:34977076" , + "PMID:35303612" , + "PMID:35661286" , + "PMID:35727352" , + "PMID:35809677" , + "PMID:36006215" , + "PMID:37767339" , + "PMID:37837874" , + "PMID:38222531" , + "PMID:38322316" , + "Wikipedia:Lanthanum(III)_chloride" ; + oboInOwl:hasExactSynonym "lanthanum trichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "LaCl3" , + "lanthanum chloride" , + "lanthanum chloride (LaCl3)" , + "lanthanum(III) chloride" ; + oboInOwl:id "CHEBI:231515" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lanthanum trichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30116365" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30617363" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31187842" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31776842" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32461997" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33206094" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34688703" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34977076" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35303612" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35661286" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35727352" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35809677" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36006215" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37767339" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37837874" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38222531" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38322316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lanthanum trichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "LaCl3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum chloride (LaCl3)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum(III) chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10099-58-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25048927" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29698762" ; + oboInOwl:source "Europe PMC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231529 +obo:CHEBI_231529 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium." ; + chebi:charge "0" ; + chebi:formula "C4D12Si" ; + chebi:inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3" ; + chebi:inchikey "CZDYPVPMEAXLPK-MGKWXGLJSA-N" ; + chebi:mass "100.298" ; + chebi:monoisotopicmass "100.14615" ; + chebi:smiles "[2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:18145-38-5" ; + oboInOwl:hasExactSynonym "tetrakis[((2)H3)methyl]silane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CD3)4Si" , + "TMS-d12" , + "tetra((2)H3)methylsilane" , + "tetra(methyl-d3)silane" , + "tetrakis(trideuteriomethyl)silane" , + "tetrakis(trideuteromethyl)silane" , + "tetramethylsilane (TMS)-d12" ; + oboInOwl:id "CHEBI:231529" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylsilane-d12" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:18145-38-5" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetrakis[((2)H3)methyl]silane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CD3)4Si" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMS-d12" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetra((2)H3)methylsilane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetra(methyl-d3)silane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrakis(trideuteriomethyl)silane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrakis(trideuteromethyl)silane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethylsilane (TMS)-d12" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231536 +obo:CHEBI_231536 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "Cl.Cl.Cl.Cl.Cl.Cl.K.Ta" ; + chebi:inchi "InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6" ; + chebi:inchikey "WLOUZLJQZAAGJG-UHFFFAOYSA-H" ; + chebi:mass "432.750" ; + chebi:monoisotopicmass "429.72482" ; + chebi:smiles "[Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231536" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium;tantalum(5+);hexachloride" . + + +### http://purl.obolibrary.org/obo/CHEBI_231537 +obo:CHEBI_231537 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "O4Re.K" ; + chebi:inchi "InChI=1S/K.4O.Re/q+1;;;;-1;" ; + chebi:inchikey "QFKRWIFGDGKWLM-UHFFFAOYSA-N" ; + chebi:mass "289.301" ; + chebi:monoisotopicmass "289.89911" ; + chebi:smiles "[Re](=O)(=O)(=O)[O-].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231537" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium perrhenate" . + + +### http://purl.obolibrary.org/obo/CHEBI_231538 +obo:CHEBI_231538 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Bi" ; + chebi:inchi "InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1" ; + chebi:inchikey "PPNKDDZCLDMRHS-UHFFFAOYSA-N" ; + chebi:mass "394.992" ; + chebi:monoisotopicmass "394.94385" ; + chebi:smiles "[Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231538" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Bismut(III)-nitrat" . + + +### http://purl.obolibrary.org/obo/CHEBI_231541 +obo:CHEBI_231541 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "Cl6Nb.K" ; + chebi:inchi "InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6" ; + chebi:inchikey "GCHPLIDUVOJGPP-UHFFFAOYSA-H" ; + chebi:mass "344.700" ; + chebi:monoisotopicmass "341.68319" ; + chebi:smiles "[K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "PMCID:PMC7157447" ; + oboInOwl:hasExactSynonym "potassium hexachloroniobate(1-)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "KNbCl6" , + "K[NbCl6]" ; + oboInOwl:id "CHEBI:231541" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium hexachloroniobate(1-)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMCID:PMC7157447" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium hexachloroniobate(1-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "KNbCl6" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "K[NbCl6]" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_23367 +obo:CHEBI_23367 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000115 "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." ; + oboInOwl:hasExactSynonym "molecular entity" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "entidad molecular" , + "entidades moleculares" , + "entite moleculaire" , + "molecular entities" , + "molekulare Entitaet" ; + oboInOwl:id "CHEBI:23367" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "molecular entity" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "entidad molecular" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "entidades moleculares" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "entite moleculaire" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "molecular entities" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "molekulare Entitaet" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_24835 +obo:CHEBI_24835 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity that contains no carbon." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "anorganische Verbindungen" , + "inorganic compounds" , + "inorganic entity" , + "inorganic molecular entities" , + "inorganics" ; + oboInOwl:id "CHEBI:24835" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "inorganic molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "anorganische Verbindungen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganic compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganic entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganic molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganics" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_24870 +obo:CHEBI_24870 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity having a net electric charge." ; + oboInOwl:hasExactSynonym "Ion" , + "ion" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Ionen" , + "iones" , + "ions" ; + oboInOwl:id "CHEBI:24870" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ion" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Ion" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ion" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ion" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ionen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "iones" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ions" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_26078 +obo:CHEBI_26078 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." ; + chebi:charge "0" ; + chebi:formula "H3O4P" ; + chebi:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" ; + chebi:inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" ; + chebi:mass "97.99520" ; + chebi:monoisotopicmass "97.97690" ; + chebi:smiles "[H]OP(=O)(O[H])O[H]" ; + oboInOwl:hasDbXref "CAS:7664-38-2" , + "Drug_Central:4478" , + "Gmelin:2000" , + "HMDB:HMDB0002142" , + "KEGG:C00009" , + "KEGG:D05467" , + "KNApSAcK:C00007408" , + "PMID:11455380" , + "PMID:15630224" , + "PMID:17439666" , + "PMID:17518491" , + "PMID:22282755" , + "PMID:22333268" , + "PMID:22381614" , + "PMID:22401268" , + "Reaxys:1921286" , + "Wikipedia:Phosphoric_Acid" ; + oboInOwl:hasExactSynonym "Phosphoric acid" , + "phosphoric acid" , + "tetraoxophosphoric acid" , + "trihydrogen tetraoxophosphate(3-)" , + "trihydroxidooxidophosphorus" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "H3PO4" , + "Orthophosphoric acid" , + "Phosphate" , + "Phosphorsaeure" , + "Phosphorsaeureloesungen" , + "[PO(OH)3]" , + "acide phosphorique" , + "acidum phosphoricum" , + "orthophosphoric acid" ; + oboInOwl:id "CHEBI:26078" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "phosphoric acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-38-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-38-2" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-38-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4478" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2000" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11455380" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15630224" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17439666" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17518491" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22282755" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22333268" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22381614" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22401268" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1921286" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Phosphoric acid" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "phosphoric acid" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetraoxophosphoric acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trihydrogen tetraoxophosphate(3-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trihydroxidooxidophosphorus" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "H3PO4" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Orthophosphoric acid" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphate" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphorsaeure" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphorsaeureloesungen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[PO(OH)3]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acide phosphorique" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acidum phosphoricum" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "orthophosphoric acid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_26710 +obo:CHEBI_26710 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic chloride salt having sodium(1+) as the counterion." ; + chebi:charge "0" ; + chebi:formula "ClNa" ; + chebi:inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" ; + chebi:inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" ; + chebi:mass "58.44247" ; + chebi:monoisotopicmass "57.95862" ; + chebi:smiles "[Na+].[Cl-]" ; + oboInOwl:hasDbXref "CAS:7647-14-5" , + "Gmelin:13673" , + "KEGG:C13563" , + "KEGG:D02056" , + "MetaCyc:NACL" , + "PPDB:595" , + "Reaxys:3534976" , + "Wikipedia:Sodium_Chloride" ; + oboInOwl:hasExactSynonym "sodium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Kochsalz" , + "NaCl" , + "Natriumchlorid" , + "chlorure de sodium" , + "cloruro sodico" , + "common salt" , + "halite" , + "natrii chloridum" , + "rock salt" , + "salt" , + "table salt" ; + oboInOwl:id "CHEBI:26710" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-14-5" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-14-5" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-14-5" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:13673" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3534976" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kochsalz" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NaCl" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Natriumchlorid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "chlorure de sodium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cloruro sodico" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "common salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "halite" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "natrii chloridum" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rock salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "table salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29228 +obo:CHEBI_29228 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." ; + chebi:charge "0" ; + chebi:formula "FH" ; + chebi:inchi "InChI=1S/FH/h1H" ; + chebi:inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" ; + chebi:mass "20.00634" ; + chebi:monoisotopicmass "20.00623" ; + chebi:smiles "F[H]" ; + oboInOwl:hasDbXref "CAS:7664-39-3" , + "Drug_Central:4499" , + "Gmelin:166" , + "KEGG:C16487" ; + oboInOwl:hasExactSynonym "Hydrogen fluoride" , + "fluorane" , + "fluoridohydrogen" , + "hydrogen fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Fluoride" , + "Fluorwasserstoff" , + "HF" , + "Hydrogenfluorid" , + "[HF]" , + "fluorure d'hydrogene" , + "hydrofluoric acid" ; + oboInOwl:id "CHEBI:29228" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "hydrogen fluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-39-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-39-3" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-39-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4499" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:166" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Hydrogen fluoride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluorane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluoridohydrogen" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "hydrogen fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluoride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorwasserstoff" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "HF" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Hydrogenfluorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[HF]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorure d'hydrogene" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrofluoric acid" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29236 +obo:CHEBI_29236 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first)." ; + chebi:charge "0" ; + chebi:formula "[1H]" ; + chebi:inchi "InChI=1S/H/i1+0" ; + chebi:inchikey "YZCKVEUIGOORGS-IGMARMGPSA-N" ; + chebi:mass "1.008" ; + chebi:monoisotopicmass "1.00783" ; + chebi:smiles "[1H]" ; + oboInOwl:hasExactSynonym "protium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(1)1H" , + "(1)H" , + "hydrogen-1" , + "protio" , + "protium" ; + oboInOwl:id "CHEBI:29236" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "protium atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "protium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(1)1H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(1)H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrogen-1" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "protio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "protium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29237 +obo:CHEBI_29237 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second)." ; + chebi:charge "0" ; + chebi:formula "D" ; + chebi:inchi "InChI=1S/H2/h1H/i1+1" ; + chebi:inchikey "UFHFLCQGNIYNRP-OUBTZVSYSA-N" ; + chebi:mass "2.014" ; + chebi:monoisotopicmass "2.01410" ; + chebi:smiles "[2H]" ; + oboInOwl:hasExactSynonym "deuterium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2)1H" , + "(2)H" , + "D" , + "Deuterium" , + "deuterio" , + "deuterium" , + "heavy hydrogen" , + "hidrogeno pesado" , + "hydrogen-2" , + "schwerer Wasserstoff" ; + oboInOwl:id "CHEBI:29237" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "deuterium atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)1H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "D" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Deuterium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "heavy hydrogen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hidrogeno pesado" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrogen-2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "schwerer Wasserstoff" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29238 +obo:CHEBI_29238 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33250 ; + obo:IAO_0000115 "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)." ; + chebi:charge "0" ; + chebi:formula "T" ; + chebi:inchi "InChI=1S/H2/h1H/i1+2" ; + chebi:inchikey "UFHFLCQGNIYNRP-NJFSPNSNSA-N" ; + chebi:mass "3.016" ; + chebi:monoisotopicmass "3.01605" ; + chebi:smiles "[3H]" ; + oboInOwl:hasExactSynonym "tritium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(3)1H" , + "(3)H" , + "T" , + "hydrogen-3" , + "tritio" , + "tritium" , + "ueberschwerer Wasserstoff" ; + oboInOwl:id "CHEBI:29238" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tritium atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tritium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)1H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "T" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrogen-3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tritio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tritium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ueberschwerer Wasserstoff" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30183 +obo:CHEBI_30183 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C4H12Pb" ; + chebi:inchi "InChI=1S/4CH3.Pb/h4*1H3;" ; + chebi:inchikey "XOOGZRUBTYCLHG-UHFFFAOYSA-N" ; + chebi:mass "267.33808" ; + chebi:monoisotopicmass "268.07055" ; + chebi:smiles "C[Pb](C)(C)C" ; + oboInOwl:hasDbXref "Beilstein:3902986" , + "CAS:75-74-1" , + "Gmelin:2491" ; + oboInOwl:hasExactSynonym "tetramethyllead" , + "tetramethylplumbane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Bleitetramethyl" , + "PbMe4" , + "TML" , + "lead tetramethyl" , + "tetramethyl lead" ; + oboInOwl:id "CHEBI:30183" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethyllead" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:3902986" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-74-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-74-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2491" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethyllead" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylplumbane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bleitetramethyl" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PbMe4" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TML" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lead tetramethyl" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethyl lead" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30218 +obo:CHEBI_30218 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium." ; + chebi:charge "0" ; + chebi:formula "[3He]" ; + chebi:inchi "InChI=1S/He/i1-1" ; + chebi:inchikey "SWQJXJOGLNCZEY-BJUDXGSMSA-N" ; + chebi:mass "3.016" ; + chebi:monoisotopicmass "3.01603" ; + chebi:smiles "[3He]" ; + oboInOwl:hasDbXref "CAS:14762-55-1" , + "Gmelin:14208" ; + oboInOwl:hasExactSynonym "helium-3" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(3)2He" , + "(3)He" , + "(3He)helium" , + "helium, isotope of mass 3" , + "helium-3" ; + oboInOwl:id "CHEBI:30218" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "helium-3 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14762-55-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:14208" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "helium-3" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)2He" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)He" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3He)helium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "helium, isotope of mass 3" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "helium-3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30236 +obo:CHEBI_30236 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33259 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "F2" ; + chebi:inchi "InChI=1S/F2/c1-2" ; + chebi:inchikey "PXGOKWXKJXAPGV-UHFFFAOYSA-N" ; + chebi:mass "37.99681" ; + chebi:monoisotopicmass "37.99681" ; + chebi:smiles "FF" ; + oboInOwl:hasDbXref "CAS:7782-41-4" , + "Gmelin:544" ; + oboInOwl:hasExactSynonym "difluorine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "F2" , + "bifluoriden" , + "fluorine" ; + oboInOwl:id "CHEBI:30236" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "difluorine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7782-41-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7782-41-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:544" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "difluorine" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "F2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "bifluoriden" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorine" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30251 +obo:CHEBI_30251 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C5FeO5" ; + chebi:inchi "InChI=1S/5CO.Fe/c5*1-2;" ; + chebi:inchikey "FYOFOKCECDGJBF-UHFFFAOYSA-N" ; + chebi:mass "195.89550" ; + chebi:monoisotopicmass "195.90951" ; + chebi:smiles "[O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]" ; + oboInOwl:hasDbXref "CAS:13463-40-6" , + "Gmelin:3567" , + "Gmelin:3568" , + "MolBase:49" ; + oboInOwl:hasExactSynonym "pentacarbonyliron" , + "pentacarbonyliron(0)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "[Fe(CO)5]" , + "iron pentacarbonyl" ; + oboInOwl:id "CHEBI:30251" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "pentacarbonyliron" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-40-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-40-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3567" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3568" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pentacarbonyliron" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pentacarbonyliron(0)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[Fe(CO)5]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "iron pentacarbonyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30372 +obo:CHEBI_30372 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C4NiO4" ; + chebi:inchi "InChI=1S/4CO.Ni/c4*1-2;" ; + chebi:inchikey "AWDHUGLHGCVIEG-UHFFFAOYSA-N" ; + chebi:mass "170.73380" ; + chebi:monoisotopicmass "169.91500" ; + chebi:smiles "[O]#C[Ni](C#[O])(C#[O])C#[O]" ; + oboInOwl:hasDbXref "Beilstein:6122797" , + "Beilstein:6711606" , + "CAS:13463-39-3" , + "Gmelin:101586" , + "Gmelin:3135" , + "MolBase:138" ; + oboInOwl:hasExactSynonym "tetracarbonylnickel" , + "tetracarbonylnickel(0)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Nickel carbonyl" , + "Nickel tetracarbonyl" , + "[Ni(CO)4]" ; + oboInOwl:id "CHEBI:30372" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetracarbonylnickel" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:6122797" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:6711606" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-39-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-39-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:101586" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3135" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetracarbonylnickel" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetracarbonylnickel(0)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nickel carbonyl" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nickel tetracarbonyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[Ni(CO)4]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30420 +obo:CHEBI_30420 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organotin compound carrying four methyl groups." ; + chebi:charge "0" ; + chebi:formula "C4H12Sn" ; + chebi:inchi "InChI=1S/4CH3.Sn/h4*1H3;" ; + chebi:inchikey "VXKWYPOMXBVZSJ-UHFFFAOYSA-N" ; + chebi:mass "178.84808" ; + chebi:monoisotopicmass "179.99610" ; + chebi:smiles "C[Sn](C)(C)C" ; + oboInOwl:hasDbXref "CAS:594-27-4" , + "Gmelin:1938" , + "MolBase:817" , + "PMID:22007212" , + "PMID:23320683" , + "Patent:US4216066" , + "Reaxys:3647887" , + "Wikipedia:Tetramethyltin" ; + oboInOwl:hasExactSynonym "tetramethylstannane" , + "tetramethyltin" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)4Sn" , + "SnMe4" , + "[SnMe4]" ; + oboInOwl:id "CHEBI:30420" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethyltin" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:594-27-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:594-27-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1938" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22007212" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23320683" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3647887" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylstannane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethyltin" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)4Sn" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SnMe4" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[SnMe4]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30496 +obo:CHEBI_30496 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 ; + obo:IAO_0000115 "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years)." ; + chebi:charge "0" ; + chebi:formula "F6S" ; + chebi:inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" ; + chebi:inchikey "SFZCNBIFKDRMGX-UHFFFAOYSA-N" ; + chebi:mass "146.050" ; + chebi:monoisotopicmass "145.96249" ; + chebi:smiles "FS(F)(F)(F)(F)F" ; + oboInOwl:hasDbXref "CAS:2551-62-4" , + "Drug_Central:4039" , + "Gmelin:2752" , + "KEGG:D05962" , + "MolBase:971" , + "PMID:25459612" , + "PMID:25559529" , + "PMID:25607376" , + "PMID:25647411" , + "PMID:25660738" , + "Reaxys:7247840" , + "Wikipedia:Sulfur_hexafluoride" ; + oboInOwl:hasExactSynonym "hexafluoridosulfur" , + "sulfur hexafluoride" , + "sulfur(6+) fluoride" , + "sulfur(VI) fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "SF6" , + "Sonovue" , + "[SF6]" ; + oboInOwl:id "CHEBI:30496" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sulfur hexafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2551-62-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2551-62-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4039" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2752" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25459612" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25559529" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25607376" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25647411" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25660738" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:7247840" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "hexafluoridosulfur" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur hexafluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur(6+) fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur(VI) fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SF6" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sonovue" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[SF6]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30786 +obo:CHEBI_30786 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C2H6Hg" ; + chebi:inchi "InChI=1S/2CH3.Hg/h2*1H3;" ; + chebi:inchikey "ATZBPOVXVPIOMR-UHFFFAOYSA-N" ; + chebi:mass "230.65904" ; + chebi:monoisotopicmass "232.01759" ; + chebi:smiles "C[Hg]C" ; + oboInOwl:hasDbXref "Beilstein:3600205" , + "CAS:593-74-8" , + "Gmelin:25889" , + "MolBase:298" ; + oboInOwl:hasExactSynonym "dimethylmercury" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Dimethyl mercury" , + "[HgMe2]" ; + oboInOwl:id "CHEBI:30786" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethylmercury" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:3600205" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-74-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-74-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:25889" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethylmercury" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dimethyl mercury" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[HgMe2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_32130 +obo:CHEBI_32130 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "AgNO3" ; + chebi:inchi "InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1" ; + chebi:inchikey "SQGYOTSLMSWVJD-UHFFFAOYSA-N" ; + chebi:mass "169.87314" ; + chebi:monoisotopicmass "168.89291" ; + chebi:smiles "[Ag+].[O-]N(=O)=O" ; + oboInOwl:hasDbXref "CAS:7761-88-8" , + "Gmelin:23909" , + "KEGG:D01730" , + "Wikipedia:Silver_nitrate" ; + oboInOwl:hasExactSynonym "silver mononitrate" , + "silver(1+) nitrate" , + "silver(I) nitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "AgNO3" , + "nitric acid silver(I) salt" , + "silver nitrate" ; + oboInOwl:id "CHEBI:32130" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "silver(1+) nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7761-88-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:23909" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silver mononitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silver(1+) nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silver(I) nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "AgNO3" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid silver(I) salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "silver nitrate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_32588 +obo:CHEBI_32588 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "A metal chloride salt with a K(+) counterion." ; + chebi:charge "0" ; + chebi:formula "ClK" ; + chebi:inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" ; + chebi:inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" ; + chebi:mass "74.55100" ; + chebi:monoisotopicmass "73.93256" ; + chebi:smiles "[Cl-].[K+]" ; + oboInOwl:hasDbXref "CAS:7447-40-7" , + "DrugBank:DB00761" , + "KEGG:D02060" , + "MetaCyc:KCL" , + "MolBase:881" , + "Reaxys:3534978" , + "Wikipedia:Potassium_Chloride" ; + oboInOwl:hasExactSynonym "potassium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "KCl" , + "Kaliumchlorid" , + "Kaon-Cl 10" , + "Klor-con" , + "Klotrix" , + "Monopotassium chloride" , + "[KCl]" , + "muriate of potash" , + "sylvite" ; + oboInOwl:id "CHEBI:32588" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-40-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-40-7" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3534978" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "KCl" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kaliumchlorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kaon-Cl 10" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Klor-con" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Klotrix" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Monopotassium chloride" ; + oboInOwl:hasDbXref "DrugBank" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[KCl]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "muriate of potash" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sylvite" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_32954 +obo:CHEBI_32954 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C2H3NaO2" ; + chebi:inchi "InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" ; + chebi:inchikey "VMHLLURERBWHNL-UHFFFAOYSA-M" ; + chebi:mass "82.03379" ; + chebi:monoisotopicmass "82.00307" ; + chebi:smiles "[Na+].CC([O-])=O" ; + oboInOwl:hasDbXref "Beilstein:3595639" , + "CAS:127-09-3" , + "Gmelin:20502" , + "Wikipedia:Sodium_Acetate" ; + oboInOwl:hasExactSynonym "sodium acetate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Natriumazetat" , + "acetic acid, sodium salt" , + "anhydrous sodium acetate" , + "sodium acetate anhydrous" ; + oboInOwl:id "CHEBI:32954" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium acetate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:3595639" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:127-09-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:20502" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium acetate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Natriumazetat" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acetic acid, sodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "anhydrous sodium acetate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium acetate anhydrous" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_3312 +obo:CHEBI_3312 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "CaCl2" ; + chebi:inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" ; + chebi:inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L" ; + chebi:mass "110.98340" ; + chebi:monoisotopicmass "109.90030" ; + chebi:smiles "[Cl-].[Cl-].[Ca++]" ; + oboInOwl:hasDbXref "AGR:IND607339542" , + "CAS:10043-52-4" , + "DrugBank:DB01164" , + "FooDB:FDB015404" , + "HMDB:HMDB0303526" , + "KEGG:C08130" , + "MetaCyc:CPD0-1589" , + "MolBase:1869" , + "PMID:11057678" , + "PMID:13333715" , + "PMID:32018153" , + "PMID:32441097" , + "PMID:34618995" , + "PMID:34981086" , + "PMID:35159430" , + "PMID:35159592" , + "PMID:35200459" , + "PMID:35260323" , + "PPDB:109" , + "Wikipedia:Calcium_Chloride" ; + oboInOwl:hasExactSynonym "calcium chloride" , + "calcium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CaCl2" , + "Calcium chloride anhydrous" , + "[CaCl2]" , + "calcium chloride anhydrous" ; + oboInOwl:id "CHEBI:3312" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "calcium dichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "AGR:IND607339542" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10043-52-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10043-52-4" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10043-52-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11057678" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:13333715" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32018153" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32441097" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34618995" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34981086" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35159430" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35159592" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35200459" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35260323" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "calcium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "calcium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CaCl2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Calcium chloride anhydrous" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[CaCl2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium chloride anhydrous" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33232 +obo:CHEBI_33232 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000023 ; + obo:IAO_0000115 "Intended use of the molecular entity or part thereof by humans." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:33232" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "application" . + + +### http://purl.obolibrary.org/obo/CHEBI_33250 +obo:CHEBI_33250 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:CHEBI_33252 + ] ; + obo:IAO_0000115 "A chemical entity constituting the smallest component of an element having the chemical properties of the element." ; + oboInOwl:hasAlternativeId "CHEBI:22671" , + "CHEBI:23907" ; + oboInOwl:hasExactSynonym "atom" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "atome" , + "atomo" , + "atoms" , + "atomus" , + "element" , + "elements" ; + oboInOwl:id "CHEBI:33250" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "atom" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atome" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atomo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atoms" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atomus" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "element" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "elements" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33252 +obo:CHEBI_33252 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000115 "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." ; + oboInOwl:hasExactSynonym "nucleus" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Atomkern" , + "Kern" , + "noyau" , + "noyau atomique" , + "nuclei" , + "nucleo" , + "nucleo atomico" , + "nucleus atomi" ; + oboInOwl:id "CHEBI:33252" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "atomic nucleus" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nucleus" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Atomkern" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kern" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "noyau" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "noyau atomique" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nuclei" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nucleo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nucleo atomico" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nucleus atomi" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33259 +obo:CHEBI_33259 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity all atoms of which have the same atomic number." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "homoatomic entity" , + "homoatomic molecular entities" , + "homoatomic molecular entity" ; + oboInOwl:id "CHEBI:33259" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "elemental molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33259 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "homoatomic entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33259 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "homoatomic molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33259 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "homoatomic molecular entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33310 +obo:CHEBI_33310 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33250 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "Ne" ; + chebi:inchi "InChI=1S/Ne" ; + chebi:inchikey "GKAOGPIIYCISHV-UHFFFAOYSA-N" ; + chebi:mass "20.17970" ; + chebi:monoisotopicmass "19.99244" ; + chebi:smiles "[Ne]" ; + oboInOwl:hasDbXref "CAS:7440-01-9" , + "WebElements:Ne" ; + oboInOwl:hasExactSynonym "neon" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "10Ne" , + "Ne" , + "Neon" , + "neon" ; + oboInOwl:id "CHEBI:33310" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "neon atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7440-01-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "neon" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "10Ne" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ne" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Neon" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "neon" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33371 +obo:CHEBI_33371 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + chebi:charge "0" ; + chebi:formula "[99Tc]" ; + chebi:inchi "InChI=1S/Tc/i1+1" ; + chebi:inchikey "GKLVYJBZJHMRIY-OUBTZVSYSA-N" ; + chebi:mass "98.906" ; + chebi:monoisotopicmass "98.90625" ; + chebi:smiles "[99Tc]" ; + oboInOwl:hasDbXref "CAS:14133-76-7" , + "Gmelin:41657" ; + oboInOwl:hasExactSynonym "technetium-99" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(99)43Tc" , + "(99)Tc" , + "technetium, isotope of mass 99" ; + oboInOwl:id "CHEBI:33371" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "technetium-99" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14133-76-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:41657" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "technetium-99" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(99)43Tc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(99)Tc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "technetium, isotope of mass 99" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33497 +obo:CHEBI_33497 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity containing one or more atoms of a transition element." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "transition element molecular entities" , + "transition metal molecular entity" ; + oboInOwl:id "CHEBI:33497" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "transition element molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33497 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "transition element molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33497 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "transition metal molecular entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33579 +obo:CHEBI_33579 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "main group compounds" , + "main group molecular entities" ; + oboInOwl:id "CHEBI:33579" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "main group molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33579 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "main group compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33579 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "main group molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33681 +obo:CHEBI_33681 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33259 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "He" ; + chebi:inchi "InChI=1S/He" ; + chebi:inchikey "SWQJXJOGLNCZEY-UHFFFAOYSA-N" ; + chebi:mass "4.00260" ; + chebi:monoisotopicmass "4.00260" ; + chebi:smiles "[He]" ; + oboInOwl:hasDbXref "CAS:7440-59-7" , + "MolBase:922" , + "PMID:24383961" , + "PMID:24406316" , + "PMID:24430541" , + "PMID:24553240" , + "Wikipedia:Helium" ; + oboInOwl:hasExactSynonym "helium(0)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "E 939" , + "E-939" , + "E939" , + "He" , + "[He]" , + "atomic helium" , + "helium" ; + oboInOwl:id "CHEBI:33681" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "helium(0)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7440-59-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24383961" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24406316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24430541" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24553240" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "helium(0)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "E 939" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "E-939" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "E939" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "He" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[He]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atomic helium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "helium" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33819 +obo:CHEBI_33819 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen." ; + chebi:charge "0" ; + chebi:formula "[17O]" ; + chebi:inchi "InChI=1S/O/i1+1" ; + chebi:inchikey "QVGXLLKOCUKJST-OUBTZVSYSA-N" ; + chebi:mass "16.999" ; + chebi:monoisotopicmass "16.99913" ; + chebi:smiles "[17O]" ; + oboInOwl:hasDbXref "CAS:13968-48-4" , + "Gmelin:17561" ; + oboInOwl:hasExactSynonym "oxygen-17" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(17)8O" , + "(17)O" , + "oxygen, isotope of mass 17" , + "oxygen-17" ; + oboInOwl:id "CHEBI:33819" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "oxygen-17 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13968-48-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:17561" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "oxygen-17" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(17)8O" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(17)O" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "oxygen, isotope of mass 17" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "oxygen-17" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_34856 +obo:CHEBI_34856 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family." ; + chebi:charge "0" ; + chebi:formula "C4H9NO" ; + chebi:inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" ; + chebi:inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-N" ; + chebi:mass "87.122" ; + chebi:monoisotopicmass "87.06841" ; + chebi:smiles "C1COCCN1" ; + oboInOwl:hasDbXref "Beilstein:102549" , + "CAS:110-91-8" , + "Chemspider:13837537" , + "DrugBank:DB13669" , + "FooDB:FDB008207" , + "Gmelin:1803" , + "HMDB:HMDB0031581" , + "KEGG:C14452" , + "PDBeChem:6LR" , + "PMID:15017096" , + "PMID:2699898" , + "PMID:31512284" , + "PMID:31978684" , + "PMID:32017384" , + "PMID:33459557" , + "Wikipedia:Morpholine" ; + oboInOwl:hasExactSynonym "Morpholine" , + "morpholine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,4-oxazinane" , + "1-oxa-4-azacyclohexane" , + "diethylene imidoxide" , + "diethylene oximide" , + "diethylenimide oxide" , + "tetrahydro-1,4-oxazine" , + "tetrahydro-p-oxazine" ; + oboInOwl:id "CHEBI:34856" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "morpholine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:102549" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-91-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-91-8" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-91-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1803" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15017096" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2699898" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31512284" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31978684" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32017384" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33459557" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Morpholine" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "morpholine" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-oxazinane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1-oxa-4-azacyclohexane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diethylene imidoxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diethylene oximide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diethylenimide oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-1,4-oxazine" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-p-oxazine" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_35568 +obo:CHEBI_35568 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." ; + oboInOwl:hasExactSynonym "mancude-ring systems" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "mancude rings" , + "mancunide-ring systems" ; + oboInOwl:id "CHEBI:35568" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "mancude ring" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_35568 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "mancude-ring systems" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_35568 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mancude rings" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_35568 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mancunide-ring systems" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36357 +obo:CHEBI_36357 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "Any molecular entity consisting of more than one atom." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "polyatomic entities" ; + oboInOwl:id "CHEBI:36357" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "polyatomic entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36357 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "polyatomic entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36383 +obo:CHEBI_36383 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "Cl2Sr" ; + chebi:inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" ; + chebi:inchikey "AHBGXTDRMVNFER-UHFFFAOYSA-L" ; + chebi:mass "158.52540" ; + chebi:monoisotopicmass "157.84332" ; + chebi:smiles "[Cl-].[Cl-].[Sr++]" ; + oboInOwl:hasDbXref "CAS:10476-85-4" , + "Gmelin:463924" ; + oboInOwl:hasExactSynonym "strontium chloride" , + "strontium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "SrCl2" ; + oboInOwl:id "CHEBI:36383" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "strontium dichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10476-85-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10476-85-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:463924" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "strontium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "strontium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SrCl2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36601 +obo:CHEBI_36601 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A phosphine oxide in which the substituents on phosphorus are three phenyl groups." ; + chebi:charge "0" ; + chebi:formula "C18H15OP" ; + chebi:inchi "InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ; + chebi:inchikey "FIQMHBFVRAXMOP-UHFFFAOYSA-N" ; + chebi:mass "278.28486" ; + chebi:monoisotopicmass "278.08605" ; + chebi:smiles "O=P(c1ccccc1)(c1ccccc1)c1ccccc1" ; + oboInOwl:hasDbXref "CAS:791-28-6" , + "Gmelin:6758" , + "PMID:24280613" , + "PMID:24285309" , + "Reaxys:745854" , + "Wikipedia:Triphenylphosphine_oxide" ; + oboInOwl:hasExactSynonym "triphenyl-lambda(5)-phosphanone" , + "triphenylphosphane oxide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Triphenylphosphanoxid" , + "triphenyl phosphine oxide" , + "triphenyl phosphorus oxide" , + "triphenylphosphanoxide" , + "triphenylphosphine oxide" ; + oboInOwl:id "CHEBI:36601" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "triphenylphosphane oxide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:791-28-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:791-28-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:6758" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24280613" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24285309" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:745854" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "triphenyl-lambda(5)-phosphanone" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "triphenylphosphane oxide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Triphenylphosphanoxid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenyl phosphine oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenyl phosphorus oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphanoxide" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphine oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36810 +obo:CHEBI_36810 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group." ; + chebi:charge "0" ; + chebi:formula "C7H5F3" ; + chebi:inchi "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" ; + chebi:inchikey "GETTZEONDQJALK-UHFFFAOYSA-N" ; + chebi:mass "146.10980" ; + chebi:monoisotopicmass "146.03433" ; + chebi:smiles "FC(F)(F)c1ccccc1" ; + oboInOwl:hasDbXref "CAS:98-08-8" , + "Gmelin:3670" , + "PMID:11671431" , + "PMID:20958547" , + "PMID:24267073" , + "PMID:24669762" , + "Reaxys:1906908" ; + oboInOwl:hasExactSynonym "(trifluoromethyl)benzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "C6H5CF3" , + "CF3Ph" , + "PhCF3" , + "alpha,alpha,alpha-trifluorotoluene" , + "benzotrifluoride" , + "omega-trifluorotoluene" , + "phenylfluoroform" , + "trifluoromethylbenzene" ; + oboInOwl:id "CHEBI:36810" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "(trifluoromethyl)benzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:98-08-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:98-08-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3670" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11671431" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20958547" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24267073" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24669762" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1906908" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "(trifluoromethyl)benzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "C6H5CF3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CF3Ph" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PhCF3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "alpha,alpha,alpha-trifluorotoluene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "benzotrifluoride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "omega-trifluorotoluene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phenylfluoroform" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trifluoromethylbenzene" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36928 +obo:CHEBI_36928 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + chebi:charge "0" ; + chebi:formula "[13C]" ; + chebi:inchi "InChI=1S/C/i1+1" ; + chebi:inchikey "OKTJSMMVPCPJKN-OUBTZVSYSA-N" ; + chebi:mass "13.003" ; + chebi:monoisotopicmass "13.00335" ; + chebi:smiles "[13C]" ; + oboInOwl:hasDbXref "CAS:14762-74-4" ; + oboInOwl:hasExactSynonym "carbon-13" , + "carbon-13 atom" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(13)6C" , + "(13)C" , + "carbon, isotope of mass 13" , + "carbon-13" ; + oboInOwl:id "CHEBI:36928" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "carbon-13 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14762-74-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "carbon-13" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "carbon-13 atom" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(13)6C" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(13)C" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "carbon, isotope of mass 13" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "carbon-13" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36934 +obo:CHEBI_36934 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen." ; + chebi:charge "0" ; + chebi:formula "[15N]" ; + chebi:inchi "InChI=1S/N/i1+1" ; + chebi:inchikey "QJGQUHMNIGDVPM-OUBTZVSYSA-N" ; + chebi:mass "15.000" ; + chebi:monoisotopicmass "15.00011" ; + chebi:smiles "[15N]" ; + oboInOwl:hasDbXref "CAS:14390-96-6" ; + oboInOwl:hasExactSynonym "nitrogen-15" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(15)7N" , + "(15)N" , + "nitrogen, isotope of mass 15" , + "nitrogen-15" ; + oboInOwl:id "CHEBI:36934" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "nitrogen-15 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14390-96-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nitrogen-15" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(15)7N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(15)N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitrogen, isotope of mass 15" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitrogen-15" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36938 +obo:CHEBI_36938 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen." ; + chebi:charge "0" ; + chebi:formula "[14N]" ; + chebi:inchi "InChI=1S/N/i1+0" ; + chebi:inchikey "QJGQUHMNIGDVPM-IGMARMGPSA-N" ; + chebi:mass "14.003" ; + chebi:monoisotopicmass "14.00307" ; + chebi:smiles "[14N]" ; + oboInOwl:hasExactSynonym "nitrogen-14" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(14)7N" , + "(14)N" , + "nitrogen-14" ; + oboInOwl:id "CHEBI:36938" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "nitrogen-14 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nitrogen-14" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(14)7N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(14)N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitrogen-14" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36940 +obo:CHEBI_36940 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[19F]" ; + chebi:inchi "InChI=1S/F/i1+0" ; + chebi:inchikey "YCKRFDGAMUMZLT-IGMARMGPSA-N" ; + chebi:mass "18.998" ; + chebi:monoisotopicmass "18.99840" ; + chebi:smiles "[19F]" ; + oboInOwl:hasExactSynonym "fluorine-19" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(19)9F" , + "(19)F" , + "fluorine-19" ; + oboInOwl:id "CHEBI:36940" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "fluorine-19 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluorine-19" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(19)9F" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(19)F" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorine-19" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37968 +obo:CHEBI_37968 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2." ; + chebi:charge "0" ; + chebi:formula "[27Al]" ; + chebi:inchi "InChI=1S/Al/i1+0" ; + chebi:inchikey "XAGFODPZIPBFFR-IGMARMGPSA-N" ; + chebi:mass "26.982" ; + chebi:monoisotopicmass "26.98154" ; + chebi:smiles "[27Al]" ; + oboInOwl:hasExactSynonym "aluminium-27" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(27)13Al" , + "(27)Al" , + "aluminium-27" , + "aluminum, isotope of mass 27" , + "aluminum-27" ; + oboInOwl:id "CHEBI:37968" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "aluminium-27 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "aluminium-27" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(27)13Al" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(27)Al" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "aluminium-27" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "aluminum, isotope of mass 27" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "aluminum-27" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37971 +obo:CHEBI_37971 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[31P]" ; + chebi:inchi "InChI=1S/P/i1+0" ; + chebi:inchikey "OAICVXFJPJFONN-IGMARMGPSA-N" ; + chebi:mass "30.974" ; + chebi:monoisotopicmass "30.97376" ; + chebi:smiles "[31P]" ; + oboInOwl:hasExactSynonym "phosphorus-31" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(31)15P" , + "(31)P" , + "phosphorus-31" ; + oboInOwl:id "CHEBI:37971" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "phosphorus-31 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "phosphorus-31" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(31)15P" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(31)P" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phosphorus-31" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37974 +obo:CHEBI_37974 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[29Si]" ; + chebi:inchi "InChI=1S/Si/i1+1" ; + chebi:inchikey "XUIMIQQOPSSXEZ-OUBTZVSYSA-N" ; + chebi:mass "28.976" ; + chebi:monoisotopicmass "28.97649" ; + chebi:smiles "[29Si]" ; + oboInOwl:hasExactSynonym "silicon-29" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(29)14Si" , + "(29)Si" , + "silicon-29" ; + oboInOwl:id "CHEBI:37974" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "silicon-29 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silicon-29" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(29)14Si" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(29)Si" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "silicon-29" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37980 +obo:CHEBI_37980 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2." ; + chebi:charge "0" ; + chebi:formula "[33S]" ; + chebi:inchi "InChI=1S/S/i1+1" ; + chebi:inchikey "NINIDFKCEFEMDL-OUBTZVSYSA-N" ; + chebi:mass "32.971" ; + chebi:monoisotopicmass "32.97146" ; + chebi:smiles "[33S]" ; + oboInOwl:hasDbXref "CAS:14257-58-0" ; + oboInOwl:hasExactSynonym "sulfur-33" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(33)16S" , + "(33)S" , + "sulfur, isotope of mass 33" , + "sulfur-33" , + "sulphur-33" ; + oboInOwl:id "CHEBI:37980" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sulfur-33 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14257-58-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur-33" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(33)16S" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(33)S" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfur, isotope of mass 33" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfur-33" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulphur-33" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_38472 +obo:CHEBI_38472 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group." ; + chebi:charge "0" ; + chebi:formula "C2H3N" ; + chebi:inchi "InChI=1S/C2H3N/c1-2-3/h1H3" ; + chebi:inchikey "WEVYAHXRMPXWCK-UHFFFAOYSA-N" ; + chebi:mass "41.05196" ; + chebi:monoisotopicmass "41.02655" ; + chebi:smiles "CC#N" ; + oboInOwl:hasAlternativeId "CHEBI:22185" , + "CHEBI:30972" , + "CHEBI:41432" ; + oboInOwl:hasDbXref "Beilstein:741857" , + "CAS:75-05-8" , + "Gmelin:895" , + "PDBeChem:CCN" , + "PMID:17347819" , + "PMID:19100763" , + "PMID:20370615" , + "PMID:985423" , + "PPDB:1349" , + "Reaxys:741857" , + "Wikipedia:Acetonitrile" ; + oboInOwl:hasExactSynonym "ACETONITRILE" , + "acetonitrile" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CH3-C#N" , + "MeCN" , + "NCMe" , + "cyanomethane" , + "ethanenitrile" , + "methyl cyanide" ; + oboInOwl:id "CHEBI:38472" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "acetonitrile" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:741857" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-05-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-05-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:895" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17347819" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19100763" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20370615" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:985423" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:741857" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ACETONITRILE" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "acetonitrile" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CH3-C#N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "MeCN" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NCMe" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cyanomethane" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ethanenitrile" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl cyanide" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_38585 +obo:CHEBI_38585 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C6H4F2" ; + chebi:inchi "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" ; + chebi:inchikey "QUGUFLJIAFISSW-UHFFFAOYSA-N" ; + chebi:mass "114.09277" ; + chebi:monoisotopicmass "114.02811" ; + chebi:smiles "Fc1ccc(F)cc1" ; + oboInOwl:hasDbXref "Beilstein:1904541" , + "CAS:540-36-3" , + "Gmelin:142070" ; + oboInOwl:hasExactSynonym "1,4-difluorobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,4-Difluorbenzol" , + "p-difluorobenzene" , + "para-difluorobenzene" ; + oboInOwl:id "CHEBI:38585" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "1,4-difluorobenzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:1904541" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:540-36-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:540-36-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:142070" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,4-difluorobenzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-Difluorbenzol" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "p-difluorobenzene" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "para-difluorobenzene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_38589 +obo:CHEBI_38589 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine." ; + chebi:charge "0" ; + chebi:formula "C6F6" ; + chebi:inchi "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" ; + chebi:inchikey "ZQBFAOFFOQMSGJ-UHFFFAOYSA-N" ; + chebi:mass "186.05462" ; + chebi:monoisotopicmass "185.99042" ; + chebi:smiles "Fc1c(F)c(F)c(F)c(F)c1F" ; + oboInOwl:hasDbXref "Beilstein:1683438" , + "CAS:392-56-3" , + "Gmelin:101976" , + "PMID:23869742" , + "PMID:24050348" , + "PMID:25416887" , + "PMID:26910443" , + "PMID:27043131" , + "PMID:27133442" , + "PMID:27557055" , + "PMID:33582441" , + "PMID:33938749" , + "PMID:37272941" , + "PMID:38193267" , + "PMID:38221873" , + "Wikipedia:Hexafluorobenzene" ; + oboInOwl:hasExactSynonym "hexafluorobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,2,3,4,5,6-hexafluorobenzene" , + "Hexafluorbenzol" , + "perfluorobenzene" ; + oboInOwl:id "CHEBI:38589" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "hexafluorobenzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:1683438" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:392-56-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:392-56-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:101976" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23869742" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24050348" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25416887" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26910443" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27043131" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27133442" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27557055" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33582441" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33938749" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37272941" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38193267" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38221873" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "hexafluorobenzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,2,3,4,5,6-hexafluorobenzene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Hexafluorbenzol" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluorobenzene" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_39429 +obo:CHEBI_39429 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups." ; + chebi:charge "0" ; + chebi:formula "C3F6O" ; + chebi:inchi "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" ; + chebi:inchikey "VBZWSGALLODQNC-UHFFFAOYSA-N" ; + chebi:mass "166.02192" ; + chebi:monoisotopicmass "165.98533" ; + chebi:smiles "FC(F)(F)C(=O)C(F)(F)F" ; + oboInOwl:hasDbXref "CAS:684-16-2" , + "Gmelin:27263" , + "PMID:22481381" , + "PMID:24186328" , + "Patent:CN102964231" , + "Patent:CN102976908" , + "Reaxys:607236" , + "Wikipedia:Hexafluoroacetone" ; + oboInOwl:hasExactSynonym "1,1,1,3,3,3-hexafluoroacetone" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CF3)2CO" , + "1,1,1,3,3,3-hexafluoro-2-propanone" , + "6FK" , + "hexafluoropropanone" , + "perfluoro-2-propanone" , + "perfluoroacetone" ; + oboInOwl:id "CHEBI:39429" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "hexafluoroacetone" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:684-16-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:684-16-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:27263" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22481381" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24186328" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:607236" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,1,3,3,3-hexafluoroacetone" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CF3)2CO" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,1,1,3,3,3-hexafluoro-2-propanone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "6FK" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexafluoropropanone" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluoro-2-propanone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluoroacetone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_41981 +obo:CHEBI_41981 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "D2O" ; + chebi:inchi "InChI=1S/H2O/h1H2/i/hD2" ; + chebi:inchikey "XLYOFNOQVPJJNP-ZSJDYOACSA-N" ; + chebi:mass "20.027" ; + chebi:monoisotopicmass "20.02312" ; + chebi:smiles "[2H]O[2H]" ; + oboInOwl:hasAlternativeId "CHEBI:29373" , + "CHEBI:41979" ; + oboInOwl:hasDbXref "CAS:7789-20-0" , + "Gmelin:97" , + "MolBase:1647" , + "PDBeChem:DOD" ; + oboInOwl:hasExactSynonym "dideuterium oxide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "((2)H2)water" , + "D2O" , + "DEUTERATED WATER" , + "Deuteriumoxid" , + "[OD2]" , + "deuterium oxide" , + "heavy water" , + "schweres Wasser" ; + oboInOwl:id "CHEBI:41981" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dideuterium oxide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-20-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-20-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:97" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dideuterium oxide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "((2)H2)water" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "D2O" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DEUTERATED WATER" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Deuteriumoxid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[OD2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "heavy water" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "schweres Wasser" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_45892 +obo:CHEBI_45892 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A monocarboxylic acid that is the trifluoro derivative of acetic acid." ; + chebi:charge "0" ; + chebi:formula "C2HF3O2" ; + chebi:inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" ; + chebi:inchikey "DTQVDTLACAAQTR-UHFFFAOYSA-N" ; + chebi:mass "114.02335" ; + chebi:monoisotopicmass "113.99286" ; + chebi:smiles "OC(=O)C(F)(F)F" ; + oboInOwl:hasAlternativeId "CHEBI:27111" ; + oboInOwl:hasDbXref "CAS:76-05-1" , + "Gmelin:2729" , + "HMDB:HMDB0014118" , + "PMID:11498800" , + "PMID:7696372" , + "Reaxys:742035" , + "Wikipedia:Trifluoroacetic_acid" ; + oboInOwl:hasExactSynonym "trifluoroacetic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CF3COOH" , + "TFA" , + "Trifluoressigsaeure" , + "acide trifluoroacetique" , + "perfluoroacetic acid" ; + oboInOwl:id "CHEBI:45892" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "trifluoroacetic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:76-05-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:76-05-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2729" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11498800" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7696372" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:742035" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trifluoroacetic acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CF3COOH" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TFA" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trifluoressigsaeure" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acide trifluoroacetique" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluoroacetic acid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_4610 +obo:CHEBI_4610 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organoselenium compound of two methyl groups covalently bound to a selenium." ; + chebi:charge "0" ; + chebi:formula "C2H6Se" ; + chebi:inchi "InChI=1S/C2H6Se/c1-3-2/h1-2H3" ; + chebi:inchikey "RVIXKDRPFPUUOO-UHFFFAOYSA-N" ; + chebi:mass "109.03000" ; + chebi:monoisotopicmass "109.96347" ; + chebi:smiles "C[Se]C" ; + oboInOwl:hasDbXref "CAS:593-79-3" , + "HMDB:HMDB0033212" , + "KEGG:C02535" , + "MetaCyc:CPD-12005" , + "PMID:15150252" , + "PMID:15233545" , + "PMID:1652783" , + "PMID:20152423" , + "PMID:21069149" , + "PMID:23454698" , + "PMID:23590617" , + "PMID:24241025" , + "PMID:4851946" , + "PMID:5079352" , + "PMID:8179331" , + "Reaxys:1696848" ; + oboInOwl:hasExactSynonym "(methylselanyl)methane" , + "dimethyl selenide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)2Se" , + "Dimethylselenium" , + "Methyl selenide" , + "Methyl selenium" , + "Selenium dimethyl" , + "Selenobismethane" ; + oboInOwl:id "CHEBI:4610" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethylselenide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-79-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-79-3" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-79-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15150252" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15233545" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1652783" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20152423" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21069149" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23454698" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23590617" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24241025" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:4851946" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5079352" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8179331" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1696848" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "(methylselanyl)methane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyl selenide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)2Se" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dimethylselenium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Methyl selenide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Methyl selenium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Selenium dimethyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Selenobismethane" ; + oboInOwl:hasDbXref "HMDB" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_4613 +obo:CHEBI_4613 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organotellurium compound in which the tellurium atom is covalently bonded to two methyl groups. A xenobiotic metabolite produced by certain strains of bacteria exposed to tellurium containing compounds." ; + chebi:charge "0" ; + chebi:formula "C2H6Te" ; + chebi:inchi "InChI=1S/C2H6Te/c1-3-2/h1-2H3" ; + chebi:inchikey "YMUZFVVKDBZHGP-UHFFFAOYSA-N" ; + chebi:mass "157.66904" ; + chebi:monoisotopicmass "159.95317" ; + chebi:smiles "C[Te]C" ; + oboInOwl:hasDbXref "CAS:593-80-6" , + "Gmelin:1480" , + "KEGG:C02677" , + "PMID:5079352" , + "PMID:9096851" , + "Reaxys:1696849" , + "Wikipedia:Dimethyl_telluride" ; + oboInOwl:hasExactSynonym "Dimethyl telluride" , + "dimethyl telluride" , + "dimethyltellane" , + "dimethyltellurium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Dimethyltelluride" , + "TeMe2" ; + oboInOwl:id "CHEBI:4613" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethyl telluride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-80-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-80-6" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-80-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1480" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5079352" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:9096851" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1696849" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Dimethyl telluride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyl telluride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyltellane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyltellurium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dimethyltelluride" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TeMe2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_46324 +obo:CHEBI_46324 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A trialkyl phosphate that is the trimethyl ester of phosphoric acid." ; + chebi:charge "0" ; + chebi:formula "C3H9O4P" ; + chebi:inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" ; + chebi:inchikey "WVLBCYQITXONBZ-UHFFFAOYSA-N" ; + chebi:mass "140.07492" ; + chebi:monoisotopicmass "140.02385" ; + chebi:smiles "COP(=O)(OC)OC" ; + oboInOwl:hasDbXref "CAS:512-56-1" , + "Gmelin:49926" , + "PDBeChem:TZZ" , + "PMID:17083219" , + "PMID:18409209" , + "Reaxys:1071731" , + "Wikipedia:Trimethyl_phosphate" ; + oboInOwl:hasExactSynonym "TRIMETHYL PHOSPHATE" , + "trimethyl phosphate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "O,O,O-Trimethyl phosphate" , + "Phosphoric acid, trimethyl ester" , + "TMP" , + "TMPA" , + "TMPO" , + "Trimethoxyphosphine oxide" , + "Trimethyl orthophosphate" ; + oboInOwl:id "CHEBI:46324" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "trimethyl phosphate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:512-56-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:512-56-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:49926" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17083219" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18409209" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1071731" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "TRIMETHYL PHOSPHATE" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trimethyl phosphate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "O,O,O-Trimethyl phosphate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphoric acid, trimethyl ester" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMP" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMPA" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMPO" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trimethoxyphosphine oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trimethyl orthophosphate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_47032 +obo:CHEBI_47032 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A dioxane with oxygen atoms at positions 1 and 4." ; + chebi:charge "0" ; + chebi:formula "C4H8O2" ; + chebi:inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" ; + chebi:inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N" ; + chebi:mass "88.10512" ; + chebi:monoisotopicmass "88.05243" ; + chebi:smiles "C1COCCO1" ; + oboInOwl:hasAlternativeId "CHEBI:34064" , + "CHEBI:41951" , + "CHEBI:46925" ; + oboInOwl:hasDbXref "CAS:123-91-1" , + "DrugBank:DB03316" , + "KEGG:C14440" , + "LINCS:LSM-37087" , + "PDBeChem:DIO" , + "PMID:14550759" , + "PMID:18044507" , + "PMID:20598439" , + "PPDB:1638" , + "Reaxys:102551" , + "Wikipedia:1,4-Dioxane" ; + oboInOwl:hasExactSynonym "1,4-Dioxane" , + "1,4-dioxane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,4-DIETHYLENE DIOXIDE" , + "1,4-Dioxan" , + "1,4-dioxacyclohexane" , + "Dioxan-1,4" , + "di(ethylene oxide)" , + "dioxane-1,4" , + "glycol ethylene ether" , + "p-Dioxane" , + "tetrahydro-1,4-dioxin" , + "tetrahydro-p-dioxin" , + "tetrahydro-para-dioxin" ; + oboInOwl:id "CHEBI:47032" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "1,4-dioxane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:123-91-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:123-91-1" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:123-91-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:14550759" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18044507" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20598439" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:102551" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,4-Dioxane" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,4-dioxane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-DIETHYLENE DIOXIDE" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-Dioxan" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-dioxacyclohexane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dioxan-1,4" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "di(ethylene oxide)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "dioxane-1,4" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "glycol ethylene ether" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "p-Dioxane" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-1,4-dioxin" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-p-dioxin" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-para-dioxin" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_48236 +obo:CHEBI_48236 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom." ; + chebi:charge "0" ; + chebi:formula "CCl3F" ; + chebi:inchi "InChI=1S/CCl3F/c2-1(3,4)5" ; + chebi:inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N" ; + chebi:mass "137.36720" ; + chebi:monoisotopicmass "135.90496" ; + chebi:smiles "FC(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:75-69-4" , + "PMID:1114326" , + "PMID:24189105" , + "PMID:5727092" , + "PMID:8006631" , + "Reaxys:1732469" , + "Wikipedia:Trichlorofluoromethane" ; + oboInOwl:hasExactSynonym "trichloro(fluoro)methane" , + "trichlorofluoromethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CFC-11" , + "Eskimon 11" , + "Freon 11" , + "R-11" , + "Refrigerant 11" , + "fluorochloroform" , + "fluorotrichloromethane" , + "monofluorotrichloromethane" , + "trichlorofluorocarbon" , + "trichloromonofluoromethane" ; + oboInOwl:id "CHEBI:48236" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "trichlorofluoromethane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-69-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-69-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1114326" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24189105" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5727092" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8006631" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1732469" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trichloro(fluoro)methane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trichlorofluoromethane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CFC-11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Eskimon 11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Freon 11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "R-11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Refrigerant 11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorochloroform" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorotrichloromethane" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "monofluorotrichloromethane" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trichlorofluorocarbon" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trichloromonofluoromethane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_48607 +obo:CHEBI_48607 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A metal chloride salt with a Li(+) counterion." ; + chebi:charge "0" ; + chebi:formula "ClLi" ; + chebi:inchi "InChI=1S/ClH.Li/h1H;/q;+1/p-1" ; + chebi:inchikey "KWGKDLIKAYFUFQ-UHFFFAOYSA-M" ; + chebi:mass "42.39370" ; + chebi:monoisotopicmass "41.98486" ; + chebi:smiles "[Li+].[Cl-]" ; + oboInOwl:hasDbXref "CAS:7447-41-8" , + "PMID:21301855" , + "PMID:24398558" ; + oboInOwl:hasExactSynonym "lithium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "LiCl" , + "Lithiumchlorid" , + "chlorure de lithium" , + "cloruro de litio" , + "lithii chloridum" ; + oboInOwl:id "CHEBI:48607" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lithium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-41-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-41-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21301855" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24398558" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lithium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "LiCl" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Lithiumchlorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "chlorure de lithium" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cloruro de litio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lithii chloridum" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_49696 +obo:CHEBI_49696 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33250 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "Kr" ; + chebi:inchi "InChI=1S/Kr" ; + chebi:inchikey "DNNSSWSSYDEUBZ-UHFFFAOYSA-N" ; + chebi:mass "83.80000" ; + chebi:monoisotopicmass "83.91150" ; + chebi:smiles "[Kr]" ; + oboInOwl:hasAlternativeId "CHEBI:33312" ; + oboInOwl:hasDbXref "CAS:7439-90-9" , + "WebElements:Kr" ; + oboInOwl:hasExactSynonym "krypton" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "36Kr" , + "Kr" , + "cripton" , + "kripton" , + "krypton" ; + oboInOwl:id "CHEBI:49696" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "krypton atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7439-90-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7439-90-9" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "krypton" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "36Kr" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kr" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cripton" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "kripton" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "krypton" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_51086 +obo:CHEBI_51086 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000023 ; + obo:IAO_0000115 "A role played by the molecular entity or part thereof within a chemical context." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:51086" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "chemical role" . + + +### http://purl.obolibrary.org/obo/CHEBI_5115 +obo:CHEBI_5115 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent." ; + chebi:charge "0" ; + chebi:formula "C6H5F" ; + chebi:inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" ; + chebi:inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N" ; + chebi:mass "96.10230" ; + chebi:monoisotopicmass "96.03753" ; + chebi:smiles "Fc1ccccc1" ; + oboInOwl:hasDbXref "CAS:462-06-6" , + "Gmelin:49856" , + "KEGG:C11272" , + "PMID:22976426" , + "PMID:24060903" , + "Patent:CN101224914" , + "Patent:US4390740" , + "Reaxys:1236623" , + "Wikipedia:Fluorobenzene" ; + oboInOwl:hasExactSynonym "fluorobenzene" , + "monofluorobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Fluorbenzol" , + "Fluorobenzene" , + "phenyl fluoride" ; + oboInOwl:id "CHEBI:5115" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "monofluorobenzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:462-06-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:462-06-6" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:462-06-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:49856" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22976426" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24060903" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1236623" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluorobenzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "monofluorobenzene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorbenzol" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorobenzene" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phenyl fluoride" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52230 +obo:CHEBI_52230 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[119Sn]" ; + chebi:inchi "InChI=1S/Sn/i1+0" ; + chebi:inchikey "ATJFFYVFTNAWJD-IGMARMGPSA-N" ; + chebi:mass "118.903" ; + chebi:monoisotopicmass "118.90331" ; + chebi:smiles "[119Sn]" ; + oboInOwl:hasExactSynonym "tin-119" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(119)50Sn" , + "(119)Sn" , + "tin-119" ; + oboInOwl:id "CHEBI:52230" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tin-119 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tin-119" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(119)50Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(119)Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tin-119" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52234 +obo:CHEBI_52234 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[117Sn]" ; + chebi:inchi "InChI=1S/Sn/i1-2" ; + chebi:inchikey "ATJFFYVFTNAWJD-YPZZEJLDSA-N" ; + chebi:mass "116.903" ; + chebi:monoisotopicmass "116.90295" ; + chebi:smiles "[117Sn]" ; + oboInOwl:hasExactSynonym "tin-117" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(117)50Sn" , + "(117)Sn" , + "tin-117" ; + oboInOwl:id "CHEBI:52234" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tin-117 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tin-117" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(117)50Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(117)Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tin-117" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52235 +obo:CHEBI_52235 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[115Sn]" ; + chebi:inchi "InChI=1S/Sn/i1-4" ; + chebi:inchikey "ATJFFYVFTNAWJD-AHCXROLUSA-N" ; + chebi:mass "114.903" ; + chebi:monoisotopicmass "114.90334" ; + chebi:smiles "[115Sn]" ; + oboInOwl:hasExactSynonym "tin-115" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(115)50Sn" , + "(115)Sn" , + "tin-115" ; + oboInOwl:id "CHEBI:52235" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tin-115 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tin-115" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(115)50Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(115)Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tin-115" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52452 +obo:CHEBI_52452 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[125Te]" ; + chebi:inchi "InChI=1S/Te/i1-3" ; + chebi:inchikey "PORWMNRCUJJQNO-OIOBTWANSA-N" ; + chebi:mass "124.904" ; + chebi:monoisotopicmass "124.90443" ; + chebi:smiles "[125Te]" ; + oboInOwl:hasExactSynonym "tellurium-125" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(125)52Te" , + "(125)Te" , + "tellurium-125" ; + oboInOwl:id "CHEBI:52452" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tellurium-125 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tellurium-125" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(125)52Te" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(125)Te" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tellurium-125" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52453 +obo:CHEBI_52453 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33259 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[129Xe]" ; + chebi:inchi "InChI=1S/Xe/i1-2" ; + chebi:inchikey "FHNFHKCVQCLJFQ-YPZZEJLDSA-N" ; + chebi:mass "128.905" ; + chebi:monoisotopicmass "128.90478" ; + chebi:smiles "[129Xe]" ; + oboInOwl:hasExactSynonym "xenon-129" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(129)54Xe" , + "(129)Xe" , + "xenon-129" ; + oboInOwl:id "CHEBI:52453" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "xenon-129 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "xenon-129" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(129)54Xe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(129)Xe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon-129" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52457 +obo:CHEBI_52457 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[77Se]" ; + chebi:inchi "InChI=1S/Se/i1-2" ; + chebi:inchikey "BUGBHKTXTAQXES-YPZZEJLDSA-N" ; + chebi:mass "76.920" ; + chebi:monoisotopicmass "76.91991" ; + chebi:smiles "[77Se]" ; + oboInOwl:hasDbXref "Chemspider:9507361" , + "PMID:16158304" , + "PMID:23159557" , + "PMID:25848959" , + "PMID:25923042" , + "PMID:27129100" , + "PMID:30828921" , + "PMID:32453871" , + "PMID:34153173" ; + oboInOwl:hasExactSynonym "((77)Se)selenium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(77)34Se" , + "(77)Se" , + "Se-77" , + "selenium, isotope of mass 77" , + "selenium-(77)Se" , + "selenium-77" ; + oboInOwl:id "CHEBI:52457" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "selenium-77 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16158304" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23159557" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25848959" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25923042" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27129100" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30828921" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32453871" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34153173" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((77)Se)selenium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(77)34Se" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(77)Se" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Se-77" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "selenium, isotope of mass 77" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "selenium-(77)Se" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "selenium-77" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52458 +obo:CHEBI_52458 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[7Li]" ; + chebi:inchi "InChI=1S/Li/i1+0" ; + chebi:inchikey "WHXSMMKQMYFTQS-IGMARMGPSA-N" ; + chebi:mass "7.016" ; + chebi:monoisotopicmass "7.01600" ; + chebi:smiles "[7Li]" ; + oboInOwl:hasExactSynonym "lithium-7" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(7)3Li" , + "(7)Li" , + "lithium-7" ; + oboInOwl:id "CHEBI:52458" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lithium-7 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lithium-7" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(7)3Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(7)Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lithium-7" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52459 +obo:CHEBI_52459 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[87Rb]" ; + chebi:inchi "InChI=1S/Rb/i1+2" ; + chebi:inchikey "IGLNJRXAVVLDKE-NJFSPNSNSA-N" ; + chebi:mass "86.909" ; + chebi:monoisotopicmass "86.90918" ; + chebi:smiles "[87Rb]" ; + oboInOwl:hasExactSynonym "rubidium-87" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(87)37Rb" , + "(87)Rb" , + "rubidium-87" ; + oboInOwl:id "CHEBI:52459" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "rubidium-87 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "rubidium-87" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(87)37Rb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(87)Rb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rubidium-87" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52460 +obo:CHEBI_52460 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2." ; + chebi:charge "0" ; + chebi:formula "[93Nb]" ; + chebi:inchi "InChI=1S/Nb/i1+0" ; + chebi:inchikey "GUCVJGMIXFAOAE-IGMARMGPSA-N" ; + chebi:mass "92.906" ; + chebi:monoisotopicmass "92.90637" ; + chebi:smiles "[93Nb]" ; + oboInOwl:hasExactSynonym "niobium-93" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(93)41Nb" , + "(93)Nb" , + "niobium-93" ; + oboInOwl:id "CHEBI:52460" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "niobium-93 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "niobium-93" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(93)41Nb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(93)Nb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "niobium-93" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52462 +obo:CHEBI_52462 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[183W]" ; + chebi:inchi "InChI=1S/W/i1-1" ; + chebi:inchikey "WFKWXMTUELFFGS-BJUDXGSMSA-N" ; + chebi:mass "182.950" ; + chebi:monoisotopicmass "182.95022" ; + chebi:smiles "[183W]" ; + oboInOwl:hasExactSynonym "tungsten-183" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(183)74W" , + "(183)W" ; + oboInOwl:id "CHEBI:52462" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tungsten-183" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52462 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tungsten-183" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52462 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(183)74W" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52462 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(183)W" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52619 +obo:CHEBI_52619 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[111Cd]" ; + chebi:inchi "InChI=1S/Cd/i1-1" ; + chebi:inchikey "BDOSMKKIYDKNTQ-BJUDXGSMSA-N" ; + chebi:mass "110.904" ; + chebi:monoisotopicmass "110.90418" ; + chebi:smiles "[111Cd]" ; + oboInOwl:hasExactSynonym "cadmium-111" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(111)48Cd" , + "(111)Cd" ; + oboInOwl:id "CHEBI:52619" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "cadmium-111" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52619 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "cadmium-111" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52619 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(111)48Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52619 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(111)Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52620 +obo:CHEBI_52620 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[113Cd]" ; + chebi:inchi "InChI=1S/Cd/i1+1" ; + chebi:inchikey "BDOSMKKIYDKNTQ-OUBTZVSYSA-N" ; + chebi:mass "112.904" ; + chebi:monoisotopicmass "112.90441" ; + chebi:smiles "[113Cd]" ; + oboInOwl:hasExactSynonym "cadmium-113" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(113)48Cd" , + "(113)Cd" ; + oboInOwl:id "CHEBI:52620" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "cadmium-113" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52620 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "cadmium-113" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52620 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(113)48Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52620 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(113)Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52621 +obo:CHEBI_52621 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1." ; + chebi:charge "0" ; + chebi:formula "[6Li]" ; + chebi:inchi "InChI=1S/Li/i1-1" ; + chebi:inchikey "WHXSMMKQMYFTQS-BJUDXGSMSA-N" ; + chebi:mass "6.015" ; + chebi:monoisotopicmass "6.01512" ; + chebi:smiles "[6Li]" ; + oboInOwl:hasExactSynonym "lithium-6" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(6)3Li" , + "(6)Li" , + "lithium-6" ; + oboInOwl:id "CHEBI:52621" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lithium-6 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lithium-6" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(6)3Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(6)Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lithium-6" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52622 +obo:CHEBI_52622 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[89Y]" ; + chebi:inchi "InChI=1S/Y/i1+0" ; + chebi:inchikey "VWQVUPCCIRVNHF-IGMARMGPSA-N" ; + chebi:mass "88.906" ; + chebi:monoisotopicmass "88.90584" ; + chebi:smiles "[89Y]" ; + oboInOwl:hasExactSynonym "yttrium-89" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(89)39Y" , + "(89)Y" , + "yttrium-89" ; + oboInOwl:id "CHEBI:52622" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "yttrium-89 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "yttrium-89" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(89)39Y" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(89)Y" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "yttrium-89" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52623 +obo:CHEBI_52623 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[57Fe]" ; + chebi:inchi "InChI=1S/Fe/i1+1" ; + chebi:inchikey "XEEYBQQBJWHFJM-OUBTZVSYSA-N" ; + chebi:mass "56.935" ; + chebi:monoisotopicmass "56.93539" ; + chebi:smiles "[57Fe]" ; + oboInOwl:hasExactSynonym "iron-57" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(57)26Fe" , + "(57)Fe" ; + oboInOwl:id "CHEBI:52623" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "iron-57 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52623 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "iron-57" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52623 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(57)26Fe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52623 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(57)Fe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52624 +obo:CHEBI_52624 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[121Sb]" ; + chebi:inchi "InChI=1S/Sb/i1-1" ; + chebi:inchikey "WATWJIUSRGPENY-BJUDXGSMSA-N" ; + chebi:mass "120.904" ; + chebi:monoisotopicmass "120.90381" ; + chebi:smiles "[121Sb]" ; + oboInOwl:hasExactSynonym "antimony-121" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(121)51Sb" , + "(121)Sb" , + "antimony-121" ; + oboInOwl:id "CHEBI:52624" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "antimony-121 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "antimony-121" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(121)51Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(121)Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "antimony-121" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52626 +obo:CHEBI_52626 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[123Sb]" ; + chebi:inchi "InChI=1S/Sb/i1+1" ; + chebi:inchikey "WATWJIUSRGPENY-OUBTZVSYSA-N" ; + chebi:mass "122.904" ; + chebi:monoisotopicmass "122.90421" ; + chebi:smiles "[123Sb]" ; + oboInOwl:hasExactSynonym "antimony-123" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(123)51Sb" , + "(123)Sb" , + "antimony-123" ; + oboInOwl:id "CHEBI:52626" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "antimony-123 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "antimony-123" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(123)51Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(123)Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "antimony-123" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52627 +obo:CHEBI_52627 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[139La]" ; + chebi:inchi "InChI=1S/La/i1+0" ; + chebi:inchikey "FZLIPJUXYLNCLC-IGMARMGPSA-N" ; + chebi:mass "138.906" ; + chebi:monoisotopicmass "138.90636" ; + chebi:smiles "[139La]" ; + oboInOwl:hasExactSynonym "lanthanum-139" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(139)57La" , + "(139)La" , + "lanthanum-139" ; + oboInOwl:id "CHEBI:52627" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lanthanum-139 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lanthanum-139" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(139)57La" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(139)La" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum-139" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52631 +obo:CHEBI_52631 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[127I]" ; + chebi:inchi "InChI=1S/I/i1+0" ; + chebi:inchikey "ZCYVEMRRCGMTRW-IGMARMGPSA-N" ; + chebi:mass "126.904" ; + chebi:monoisotopicmass "126.90447" ; + chebi:smiles "[127I]" ; + oboInOwl:hasExactSynonym "iodine-127" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(127)53I" , + "(127)I" , + "iodine-127" ; + oboInOwl:id "CHEBI:52631" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "iodine-127 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "iodine-127" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(127)53I" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(127)I" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "iodine-127" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52632 +obo:CHEBI_52632 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[39K]" ; + chebi:inchi "InChI=1S/K/i1+0" ; + chebi:inchikey "ZLMJMSJWJFRBEC-IGMARMGPSA-N" ; + chebi:mass "38.964" ; + chebi:monoisotopicmass "38.96371" ; + chebi:smiles "[39K]" ; + oboInOwl:hasExactSynonym "potassium-39" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(39)19K" , + "(39)K" , + "potassium-39" ; + oboInOwl:id "CHEBI:52632" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium-39 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium-39" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(39)19K" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(39)K" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "potassium-39" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52633 +obo:CHEBI_52633 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[95Mo]" ; + chebi:inchi "InChI=1S/Mo/i1-1" ; + chebi:inchikey "ZOKXTWBITQBERF-BJUDXGSMSA-N" ; + chebi:mass "94.906" ; + chebi:monoisotopicmass "94.90584" ; + chebi:smiles "[95Mo]" ; + oboInOwl:hasExactSynonym "molybdenum-95" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(95)42Mo" , + "(95)Mo" ; + oboInOwl:id "CHEBI:52633" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "molybdenum-95" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52633 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "molybdenum-95" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52633 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(95)42Mo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52633 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(95)Mo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52634 +obo:CHEBI_52634 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[23Na]" ; + chebi:inchi "InChI=1S/Na/i1+0" ; + chebi:inchikey "KEAYESYHFKHZAL-IGMARMGPSA-N" ; + chebi:mass "22.990" ; + chebi:monoisotopicmass "22.98977" ; + chebi:smiles "[23Na]" ; + oboInOwl:hasExactSynonym "sodium-23" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(23)11Na" , + "(23)Na" , + "sodium-23" ; + oboInOwl:id "CHEBI:52634" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium-23 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium-23" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(23)11Na" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(23)Na" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium-23" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52635 +obo:CHEBI_52635 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[45Sc]" ; + chebi:inchi "InChI=1S/Sc/i1+0" ; + chebi:inchikey "SIXSYDAISGFNSX-IGMARMGPSA-N" ; + chebi:mass "44.956" ; + chebi:monoisotopicmass "44.95591" ; + chebi:smiles "[45Sc]" ; + oboInOwl:hasExactSynonym "scandium-45" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(45)21Sc" , + "(45)Sc" , + "scandium-45" ; + oboInOwl:id "CHEBI:52635" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "scandium-45 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "scandium-45" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(45)21Sc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(45)Sc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium-45" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52743 +obo:CHEBI_52743 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[79Br]" ; + chebi:inchi "InChI=1S/Br/i1-1" ; + chebi:inchikey "WKBOTKDWSSQWDR-BJUDXGSMSA-N" ; + chebi:mass "78.918" ; + chebi:monoisotopicmass "78.91834" ; + chebi:smiles "[79Br]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(79)35Br" , + "(79)Br" , + "bromine-79" ; + oboInOwl:id "CHEBI:52743" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "bromine-79 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52743 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(79)35Br" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52743 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(79)Br" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52743 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "bromine-79" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52758 +obo:CHEBI_52758 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2." ; + chebi:charge "0" ; + chebi:formula "[73Ge]" ; + chebi:inchi "InChI=1S/Ge/i1+0" ; + chebi:inchikey "GNPVGFCGXDBREM-IGMARMGPSA-N" ; + chebi:mass "72.923" ; + chebi:monoisotopicmass "72.92346" ; + chebi:smiles "[73Ge]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(73)32Ge" , + "(73)Ge" , + "germanium-73" ; + oboInOwl:id "CHEBI:52758" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "germanium-73 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52758 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(73)32Ge" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52758 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(73)Ge" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52758 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "germanium-73" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52763 +obo:CHEBI_52763 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[25Mg]" ; + chebi:inchi "InChI=1S/Mg/i1+1" ; + chebi:inchikey "FYYHWMGAXLPEAU-OUBTZVSYSA-N" ; + chebi:mass "24.986" ; + chebi:monoisotopicmass "24.98584" ; + chebi:smiles "[25Mg]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(25)12Mg" , + "(25)Mg" , + "magnesium-25" ; + oboInOwl:id "CHEBI:52763" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "magnesium-25 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52763 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(25)12Mg" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52763 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(25)Mg" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52763 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "magnesium-25" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_53473 +obo:CHEBI_53473 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1." ; + chebi:charge "0" ; + chebi:formula "BeO4S" ; + chebi:inchi "InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ; + chebi:inchikey "KQHXBDOEECKORE-UHFFFAOYSA-L" ; + chebi:mass "105.07500" ; + chebi:monoisotopicmass "104.96391" ; + chebi:smiles "[Be++].[O-]S([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:13510-49-1" , + "Gmelin:8296" , + "PMID:11207315" , + "PMID:11423174" , + "PMID:11678613" , + "PMID:11897645" , + "PMID:16951350" , + "PMID:18250483" , + "PMID:18768897" , + "PMID:20549306" , + "PMID:2179717" , + "PMID:2469014" , + "PMID:2930060" , + "PMID:2954196" , + "PMID:3498695" , + "PMID:3764912" , + "PMID:3824419" , + "PMID:7122994" , + "PMID:8991630" , + "Patent:US4316840" , + "Patent:US4394524" , + "Patent:US5436364" , + "Reaxys:13316867" , + "Wikipedia:Beryllium_sulfate" ; + oboInOwl:hasExactSynonym "Beryllium sulfate" , + "beryllium sulfate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "BeSO4" , + "Beryllium sulphate" , + "beryllium(II) sulfate" ; + oboInOwl:id "CHEBI:53473" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "beryllium sulfate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13510-49-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13510-49-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:8296" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11207315" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11423174" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11678613" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11897645" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16951350" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18250483" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18768897" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20549306" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2179717" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2469014" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2930060" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2954196" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3498695" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3764912" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3824419" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7122994" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8991630" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:13316867" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Beryllium sulfate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "beryllium sulfate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "BeSO4" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Beryllium sulphate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "beryllium(II) sulfate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_55317 +obo:CHEBI_55317 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The bromide salt of tetramethylammonium." ; + chebi:charge "0" ; + chebi:formula "C4H12BrN" ; + chebi:inchi "InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" ; + chebi:inchikey "DDFYFBUWEBINLX-UHFFFAOYSA-M" ; + chebi:mass "154.04900" ; + chebi:monoisotopicmass "153.01531" ; + chebi:smiles "[Br-].C[N+](C)(C)C" ; + oboInOwl:hasDbXref "CAS:64-20-0" , + "PMID:24804652" , + "PMID:6196640" , + "Reaxys:3620955" ; + oboInOwl:hasExactSynonym "N,N,N-trimethylmethanaminium bromide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TMAB" ; + oboInOwl:id "CHEBI:55317" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylammonium bromide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:64-20-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:64-20-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24804652" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6196640" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3620955" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "N,N,N-trimethylmethanaminium bromide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMAB" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_59606 +obo:CHEBI_59606 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-) anions." ; + chebi:charge "0" ; + chebi:formula "Cl6Na2Pt" ; + chebi:inchi "InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6" ; + chebi:inchikey "QGFSULIVEYGQQY-UHFFFAOYSA-H" ; + chebi:mass "453.78200" ; + chebi:monoisotopicmass "450.75745" ; + chebi:smiles "[Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:16923-58-3" , + "PMID:2936374" , + "PMID:6541706" , + "Reaxys:11322243" , + "Wikipedia:Sodium_hexachloroplatinate" ; + oboInOwl:hasExactSynonym "sodium hexachloridoplatinate(2-)" , + "sodium hexachloridoplatinate(IV)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Disodium hexachloroplatinate" ; + oboInOwl:id "CHEBI:59606" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium hexachloroplatinate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:16923-58-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2936374" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6541706" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11322243" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium hexachloridoplatinate(2-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium hexachloridoplatinate(IV)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium hexachloroplatinate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_59999 +obo:CHEBI_59999 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000115 "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Chemische Substanz" ; + oboInOwl:id "CHEBI:59999" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "chemical substance" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59999 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chemische Substanz" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_62946 +obo:CHEBI_62946 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils." ; + chebi:charge "0" ; + chebi:formula "H8N2O4S" ; + chebi:inchi "InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)" ; + chebi:inchikey "BFNBIHQBYMNNAN-UHFFFAOYSA-N" ; + chebi:mass "132.14000" ; + chebi:monoisotopicmass "132.02048" ; + chebi:smiles "[NH4+].[NH4+].[O-]S([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:7783-20-2" , + "KEGG:D08853" , + "MetaCyc:NH42SO4" , + "PMID:20556652" , + "PPDB:36" , + "Reaxys:11343144" , + "Wikipedia:Ammonium_sulfate" ; + oboInOwl:hasExactSynonym "diazanium sulfate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(NH4)2SO4" , + "ammonium sulfate (2:1)" , + "ammonium sulphate" , + "diammonium sulfate" , + "mascagnite" , + "sulfuric acid ammonium salt (1:2)" , + "sulfuric acid, diammonium salt" , + "sulphate of ammonia" ; + oboInOwl:id "CHEBI:62946" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ammonium sulfate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-20-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-20-2" ; + oboInOwl:source "KEGG DRUG" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20556652" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343144" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "diazanium sulfate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(NH4)2SO4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ammonium sulfate (2:1)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ammonium sulphate" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diammonium sulfate" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mascagnite" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfuric acid ammonium salt (1:2)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfuric acid, diammonium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulphate of ammonia" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63004 +obo:CHEBI_63004 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt having bromide as the counterion." ; + chebi:charge "0" ; + chebi:formula "BrNa" ; + chebi:inchi "InChI=1S/BrH.Na/h1H;/q;+1/p-1" ; + chebi:inchikey "JHJLBTNAGRQEKS-UHFFFAOYSA-M" ; + chebi:mass "102.89400" ; + chebi:monoisotopicmass "101.90811" ; + chebi:smiles "[Na+].[Br-]" ; + oboInOwl:hasDbXref "CAS:7647-15-6" , + "Wikipedia:Sodium_bromide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Bromide salt of sodium" , + "Bromnatrium" , + "NaBr" , + "Trisodium tribromide" ; + oboInOwl:id "CHEBI:63004" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium bromide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-15-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-15-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bromide salt of sodium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bromnatrium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NaBr" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trisodium tribromide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63005 +obo:CHEBI_63005 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of sodium." ; + chebi:charge "0" ; + chebi:formula "NNaO3" ; + chebi:inchi "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" ; + chebi:inchikey "VWDWKYIASSYTQR-UHFFFAOYSA-N" ; + chebi:mass "84.99470" ; + chebi:monoisotopicmass "84.97759" ; + chebi:smiles "[Na+].[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:7631-99-4" , + "Reaxys:11343077" , + "Wikipedia:Sodium_nitrate" ; + oboInOwl:hasExactSynonym "sodium nitrate" , + "sodium trioxidonitrate(1-)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Chile saltpeter" , + "Cubic niter" , + "Niter" , + "Nitrate de sodium" , + "Nitrate of soda" , + "Nitric acid monosodium salt" , + "Nitric acid sodium salt (1:1)" , + "Nitric acid, sodium salt" , + "Sodium saltpeter" , + "Sodium(I) nitrate (1:1)" ; + oboInOwl:id "CHEBI:63005" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-99-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343077" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium trioxidonitrate(1-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chile saltpeter" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Cubic niter" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Niter" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitrate de sodium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitrate of soda" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitrate of soda" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitric acid monosodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitric acid sodium salt (1:1)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitric acid, sodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium saltpeter" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium(I) nitrate (1:1)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63317 +obo:CHEBI_63317 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic dichloride salt of barium." ; + chebi:charge "0" ; + chebi:formula "BaCl2" ; + chebi:inchi "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2" ; + chebi:inchikey "WDIHJSXYQDMJHN-UHFFFAOYSA-L" ; + chebi:mass "208.23300" ; + chebi:monoisotopicmass "207.84295" ; + chebi:smiles "[Cl-].[Cl-].[Ba++]" ; + oboInOwl:hasDbXref "CAS:10361-37-2" , + "MetaCyc:CPD0-1592" , + "PMID:21601246" , + "Reaxys:1209229" , + "Reaxys:8128158" , + "Wikipedia:Barium_chloride" ; + oboInOwl:hasExactSynonym "barium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "BaCl2" ; + oboInOwl:id "CHEBI:63317" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "barium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10361-37-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10361-37-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21601246" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1209229" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:8128158" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "barium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "BaCl2" ; + oboInOwl:hasDbXref "MetaCyc" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63940 +obo:CHEBI_63940 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones." ; + chebi:charge "0" ; + chebi:formula "Na2O4W" ; + chebi:inchi "InChI=1S/2Na.4O.W/q2*+1;;;2*-1;" ; + chebi:inchikey "XMVONEAAOPAGAO-UHFFFAOYSA-N" ; + chebi:mass "293.82000" ; + chebi:monoisotopicmass "293.91013" ; + chebi:smiles "[Na+].[Na+].[O-][W]([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:13472-45-2" , + "Reaxys:11343345" , + "Wikipedia:Sodium_tungstate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Disodium tetraoxotungstate" , + "Disodium tungstate" , + "Na2WO4" , + "Sodium tungstate(VI)" , + "Sodium tungsten oxide" , + "Sodium wolframate" , + "Tungstic acid, disodium salt" , + "sodium tetraoxotungstate(VI)" ; + oboInOwl:id "CHEBI:63940" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium tungstate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13472-45-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343345" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium tetraoxotungstate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium tungstate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Na2WO4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium tungstate(VI)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium tungsten oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium wolframate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tungstic acid, disodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium tetraoxotungstate(VI)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_6636 +obo:CHEBI_6636 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "A magnesium salt comprising of two chlorine atoms bound to a magnesium atom." ; + chebi:charge "0" ; + chebi:formula "Cl2Mg" ; + chebi:inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" ; + chebi:inchikey "TWRXJAOTZQYOKJ-UHFFFAOYSA-L" ; + chebi:mass "95.21040" ; + chebi:monoisotopicmass "93.92275" ; + chebi:smiles "[Mg++].[Cl-].[Cl-]" ; + oboInOwl:hasDbXref "CAS:7786-30-3" , + "Gmelin:9305" , + "KEGG:C07755" , + "MolBase:1868" , + "Reaxys:8128169" ; + oboInOwl:hasExactSynonym "magnesium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Magnesium chloride" , + "Magnesium chloride anhydrous" , + "Magnesiumchlorid" , + "MgCl2" , + "[MgCl2]" ; + oboInOwl:id "CHEBI:6636" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "magnesium dichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7786-30-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7786-30-3" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7786-30-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:9305" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:8128169" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "magnesium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Magnesium chloride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Magnesium chloride anhydrous" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Magnesiumchlorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "MgCl2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[MgCl2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_66872 +obo:CHEBI_66872 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A fluoride salt having K+ as the counterion." ; + chebi:charge "0" ; + chebi:formula "FK" ; + chebi:inchi "InChI=1S/FH.K/h1H;/q;+1/p-1" ; + chebi:inchikey "NROKBHXJSPEDAR-UHFFFAOYSA-M" ; + chebi:mass "58.09670" ; + chebi:monoisotopicmass "57.96211" ; + chebi:smiles "[F-].[K+]" ; + oboInOwl:hasDbXref "CAS:7789-23-3" , + "PMID:21412559" , + "PMID:21486073" , + "PMID:21636316" , + "PMID:21863787" , + "PMID:22013284" , + "PMID:22169214" , + "PMID:22359362" , + "PMID:22700337" , + "PMID:22721409" , + "PMID:22777777" , + "Reaxys:11339017" , + "Reaxys:3902818" , + "Wikipedia:Potassium_fluoride" ; + oboInOwl:hasExactSynonym "potassium fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Fluorure de potassium" , + "Potassium fluorure" ; + oboInOwl:id "CHEBI:66872" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium fluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-23-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-23-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21412559" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21486073" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21636316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21863787" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22013284" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22169214" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22359362" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22700337" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22721409" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22777777" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11339017" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3902818" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorure de potassium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Potassium fluorure" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_67137 +obo:CHEBI_67137 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33232 ; + obo:IAO_0000115 "In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NMR shift reagents" , + "lanthanide shift reagent" , + "lanthanide shift reagents" , + "nuclear magnetic resonance shift reagent" , + "nuclear magnetic resonance shift reagents" ; + oboInOwl:id "CHEBI:67137" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "NMR shift reagent" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR shift reagents" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanide shift reagent" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanide shift reagents" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nuclear magnetic resonance shift reagent" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nuclear magnetic resonance shift reagents" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_75215 +obo:CHEBI_75215 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt having molybdate as the counterion." ; + chebi:charge "0" ; + chebi:formula "MoNa2O4" ; + chebi:inchi "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1" ; + chebi:inchikey "TVXXNOYZHKPKGW-UHFFFAOYSA-N" ; + chebi:mass "205.92000" ; + chebi:monoisotopicmass "207.86460" ; + chebi:smiles "[Na+].[Na+].[O-][Mo]([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:7631-95-0" , + "KEGG:C15455" , + "Reaxys:11323078" , + "Wikipedia:Sodium_molybdate" ; + oboInOwl:hasExactSynonym "sodium dioxido(dioxo)molybdenum" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Disodium molybdate" , + "Molybdic acid, disodium salt" , + "Na2MoO4" , + "Natriummolybdat" , + "Sodium molybdate(VI)" , + "disodium tetraoxomolybdate" , + "sodium molybdate" , + "sodium molybdate (anh.)" , + "sodium orthomolybdate" ; + oboInOwl:id "CHEBI:75215" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium molybdate (anhydrous)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-95-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-95-0" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-95-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11323078" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium dioxido(dioxo)molybdenum" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium molybdate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Molybdic acid, disodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Na2MoO4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Natriummolybdat" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium molybdate(VI)" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "disodium tetraoxomolybdate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium molybdate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium molybdate (anh.)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium orthomolybdate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_75249 +obo:CHEBI_75249 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A potassium salt consisting of potassium and chromate ions in a 2:1 ratio." ; + chebi:charge "0" ; + chebi:formula "CrK2O4" ; + chebi:inchi "InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1" ; + chebi:inchikey "XMXNVYPJWBTAHN-UHFFFAOYSA-N" ; + chebi:mass "194.19030" ; + chebi:monoisotopicmass "193.84758" ; + chebi:smiles "[K+].[K+].[O-][Cr]([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:7789-00-6" , + "PMID:1372703" , + "PMID:1858300" , + "PMID:1897900" , + "PMID:19577443" , + "PMID:19839488" , + "PMID:3947421" , + "PMID:6771085" , + "PMID:7073801" , + "PMID:7395526" , + "PMID:8692229" , + "Reaxys:11343356" , + "Wikipedia:Potassium_chromate" ; + oboInOwl:hasExactSynonym "Potassium chromate" , + "dipotassium dioxido(dioxo)chromium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Bipotassium chromate" , + "Chromic acid, dipotassium salt" , + "Dipotassium chromate" , + "Dipotassium monochromate" , + "Potassium chromate(VI)" ; + oboInOwl:id "CHEBI:75249" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium chromate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-00-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1372703" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1858300" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1897900" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19577443" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19839488" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3947421" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6771085" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7073801" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7395526" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8692229" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343356" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Potassium chromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dipotassium dioxido(dioxo)chromium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bipotassium chromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chromic acid, dipotassium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dipotassium chromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dipotassium monochromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Potassium chromate(VI)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_76107 +obo:CHEBI_76107 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_139358 ; + obo:IAO_0000115 "Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2)H-labeled compound" , + "(2)H-labeled compounds" , + "(2)H-labelled compound" , + "(2)H-labelled compounds" , + "deuterated compounds" , + "deuterium-labeled compound" , + "deuterium-labeled compounds" , + "deuterium-labelled compound" , + "deuterium-labelled compounds" ; + oboInOwl:id "CHEBI:76107" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "deuterated compound" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labeled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labeled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labelled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labelled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labeled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labeled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labelled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labelled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_77701 +obo:CHEBI_77701 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models." ; + chebi:charge "0" ; + chebi:formula "CH3NO2" ; + chebi:inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3" ; + chebi:inchikey "LYGJENNIWJXYER-UHFFFAOYSA-N" ; + chebi:mass "61.04000" ; + chebi:monoisotopicmass "61.01638" ; + chebi:smiles "C[N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:75-52-5" , + "KEGG:C19275" , + "MetaCyc:CPD-8133" , + "PMID:11100413" , + "PMID:21860501" , + "PMID:26735907" , + "PMID:26800205" , + "PMID:4207867" , + "PMID:999282" , + "Reaxys:1698205" , + "Wikipedia:Nitromethane" ; + oboInOwl:hasExactSynonym "nitromethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CH3NO2" , + "MeNO2" ; + oboInOwl:id "CHEBI:77701" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "nitromethane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-52-5" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-52-5" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-52-5" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11100413" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21860501" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26735907" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26800205" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:4207867" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:999282" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1698205" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nitromethane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CH3NO2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "MeNO2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_78217 +obo:CHEBI_78217 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium." ; + chebi:charge "0" ; + chebi:formula "C3D6O" ; + chebi:inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3" ; + chebi:inchikey "CSCPPACGZOOCGX-WFGJKAKNSA-N" ; + chebi:mass "64.117" ; + chebi:monoisotopicmass "64.07953" ; + chebi:smiles "[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:666-52-4" , + "Reaxys:1702935" , + "Wikipedia:Deuterated_acetone" ; + oboInOwl:hasExactSynonym "((2)H6)propan-2-one" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H6)Acetone" , + "(CD3)2CO" , + "2-Propanone-1,1,1,3,3,3-D6" , + "Acetone-d6" , + "Perdeuteroacetone" , + "hexadeuteroacetone" ; + oboInOwl:id "CHEBI:78217" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "acetone d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:666-52-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:666-52-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1702935" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((2)H6)propan-2-one" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H6)Acetone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CD3)2CO" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "2-Propanone-1,1,1,3,3,3-D6" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Acetone-d6" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Perdeuteroacetone" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuteroacetone" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_78672 +obo:CHEBI_78672 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio." ; + chebi:charge "0" ; + chebi:formula "ClRb" ; + chebi:inchi "InChI=1S/ClH.Rb/h1H;/q;+1/p-1" ; + chebi:inchikey "FGDZQCVHDSGLHJ-UHFFFAOYSA-M" ; + chebi:mass "120.92100" ; + chebi:monoisotopicmass "119.88064" ; + chebi:smiles "[Cl-].[Rb+]" ; + oboInOwl:hasDbXref "CAS:7791-11-9" , + "PMID:108740" , + "PMID:1159626" , + "PMID:1748232" , + "PMID:2010564" , + "PMID:3311597" , + "PMID:3379141" , + "PMID:349155" , + "PMID:5436089" , + "PMID:5561654" , + "PMID:6206870" , + "PMID:6705481" , + "PMID:690649" , + "PMID:8412574" , + "PMID:8926857" , + "Reaxys:3534980" , + "Reaxys:9321247" , + "Wikipedia:Rubidium_chloride" ; + oboInOwl:hasExactSynonym "rubidium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Rubidium monochloride" ; + oboInOwl:id "CHEBI:78672" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "rubidium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7791-11-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7791-11-9" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:108740" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1159626" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1748232" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2010564" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3311597" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3379141" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:349155" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5436089" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5561654" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6206870" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6705481" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:690649" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8412574" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8926857" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3534980" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:9321247" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "rubidium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Rubidium monochloride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_8346 +obo:CHEBI_8346 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals." ; + chebi:charge "0" ; + chebi:formula "IK" , + "K.I" ; + chebi:inchi "InChI=1S/HI.K/h1H;/q;+1/p-1" ; + chebi:inchikey "NLKNQRATVPKPDG-UHFFFAOYSA-M" ; + chebi:mass "166.00277" ; + chebi:monoisotopicmass "165.86818" ; + chebi:smiles "[K+].[I-]" ; + oboInOwl:hasDbXref "CAS:7681-11-0" , + "KEGG:C08219" , + "KEGG:D01016" , + "PMID:11004629" , + "PMID:15206581" , + "PMID:23475155" , + "PMID:23793210" , + "PMID:24044784" , + "PMID:24635765" , + "PPDB:1529" , + "Wikipedia:Potassium_Iodide" ; + oboInOwl:hasExactSynonym "Potassium iodide" , + "potassium iodide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "KI" , + "Kaliumiodid" ; + oboInOwl:id "CHEBI:8346" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium iodide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7681-11-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7681-11-0" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7681-11-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11004629" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15206581" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23475155" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23793210" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24044784" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24635765" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Potassium iodide" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium iodide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "KI" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kaliumiodid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85361 +obo:CHEBI_85361 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups." ; + chebi:charge "0" ; + chebi:formula "C4H12Si" ; + chebi:inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" ; + chebi:inchikey "CZDYPVPMEAXLPK-UHFFFAOYSA-N" ; + chebi:mass "88.22360" ; + chebi:monoisotopicmass "88.07083" ; + chebi:smiles "C[Si](C)(C)C" ; + oboInOwl:hasDbXref "CAS:75-76-3" , + "Reaxys:1696908" ; + oboInOwl:hasExactSynonym "tetramethylsilane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)4Si" , + "Me4Si" , + "Si(CH3)4" , + "SiMe4" , + "TMS" , + "Tetramethyl silane" , + "Tetramethylsilicane" ; + oboInOwl:id "CHEBI:85361" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylsilane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-76-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-76-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1696908" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylsilane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)4Si" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Me4Si" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Si(CH3)4" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SiMe4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMS" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tetramethyl silane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tetramethylsilicane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85362 +obo:CHEBI_85362 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group." ; + chebi:charge "0" ; + chebi:formula "C6H16O3SSi" ; + chebi:inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)" ; + chebi:inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-N" ; + chebi:mass "196.340" ; + chebi:monoisotopicmass "196.05894" ; + chebi:smiles "C[Si](CCCS(O)(=O)=O)(C)C" ; + oboInOwl:hasDbXref "CAS:18173-90-5" , + "Reaxys:1860132" , + "Wikipedia:DSS_(NMR_standard)" ; + oboInOwl:hasExactSynonym "3-(trimethylsilyl)propane-1-sulfonic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "2,2-dimethyl-2-silapentane-5-sulfonic acid" , + "4,4-dimethyl-4-silapentane-1-sulfonic acid" , + "DSS" ; + oboInOwl:id "CHEBI:85362" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "3-(trimethylsilyl)propane-1-sulfonic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:18173-90-5" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1860132" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)propane-1-sulfonic acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "2,2-dimethyl-2-silapentane-5-sulfonic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "4,4-dimethyl-4-silapentane-1-sulfonic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DSS" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85363 +obo:CHEBI_85363 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." ; + chebi:charge "0" ; + chebi:formula "C6H13NaO2Si" ; + chebi:inchi "InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1" ; + chebi:inchikey "OIIWPAYIXDCDNL-UHFFFAOYSA-M" ; + chebi:mass "168.24150" ; + chebi:monoisotopicmass "168.05825" ; + chebi:smiles "[Na+].C[Si](C)(C)CCC([O-])=O" ; + oboInOwl:hasDbXref "CAS:37013-20-0" , + "Reaxys:4021529" ; + oboInOwl:hasExactSynonym "sodium 3-(trimethylsilyl)propanoate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TMSP" , + "TSP" , + "sodium trimethylsilylpropanoate" , + "sodium trimethylsilylpropionate" ; + oboInOwl:id "CHEBI:85363" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium 3-(trimethylsilyl)propionate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:37013-20-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:4021529" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium 3-(trimethylsilyl)propanoate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMSP" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TSP" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium trimethylsilylpropanoate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium trimethylsilylpropionate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85364 +obo:CHEBI_85364 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio." ; + chebi:charge "0" ; + chebi:formula "BrH4N" ; + chebi:inchi "InChI=1S/BrH.H3N/h1H;1H3" ; + chebi:inchikey "SWLVFNYSXGMGBS-UHFFFAOYSA-N" ; + chebi:mass "97.94200" ; + chebi:monoisotopicmass "96.95271" ; + chebi:smiles "[NH4+].[Br-]" ; + oboInOwl:hasDbXref "CAS:12124-97-9" , + "Reaxys:13202152" , + "Wikipedia:Ammonium_bromide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NH4Br" ; + oboInOwl:id "CHEBI:85364" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ammonium bromide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:12124-97-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:12124-97-9" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:13202152" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NH4Br" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85365 +obo:CHEBI_85365 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy." ; + chebi:charge "0" ; + chebi:formula "CDCl3" ; + chebi:inchi "InChI=1S/CHCl3/c2-1(3)4/h1H/i1D" ; + chebi:inchikey "HEDRZPFGACZZDS-MICDWDOJSA-N" ; + chebi:mass "120.380" ; + chebi:monoisotopicmass "118.92066" ; + chebi:smiles "[2H]C(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:865-49-6" , + "PMID:29864274" , + "PMID:32562503" , + "Reaxys:1697633" , + "Wikipedia:Deuterated_chloroform" ; + oboInOwl:hasExactSynonym "trichloro((2)H)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H)Chloroform" , + "CDCl3" , + "Chloroform-D" , + "Trichloromethane-d" , + "Trichloromethane-d1" , + "deuterochloroform" ; + oboInOwl:id "CHEBI:85365" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "deuterated chloroform" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:865-49-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:865-49-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29864274" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32562503" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1697633" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trichloro((2)H)methane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H)Chloroform" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CDCl3" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chloroform-D" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trichloromethane-d" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trichloromethane-d1" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterochloroform" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85487 +obo:CHEBI_85487 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." ; + chebi:charge "0" ; + chebi:formula "C6H14O2Si" ; + chebi:inchi "InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)" ; + chebi:inchikey "NONFLFDSOSZQHR-UHFFFAOYSA-N" ; + chebi:mass "146.25970" ; + chebi:monoisotopicmass "146.07631" ; + chebi:smiles "C[Si](C)(C)CCC(O)=O" ; + oboInOwl:hasDbXref "CAS:5683-30-7" , + "Reaxys:1747261" , + "Wikipedia:Trimethylsilyl_propanoic_acid" ; + oboInOwl:hasExactSynonym "3-(trimethylsilyl)propanoic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "3-trimethylsilylpropanoic acid" , + "3-trimethylsilylpropionic acid" , + "TMSP" , + "TSP" ; + oboInOwl:id "CHEBI:85487" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "3-(trimethylsilyl)propionic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:5683-30-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1747261" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)propanoic acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "3-trimethylsilylpropanoic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "3-trimethylsilylpropionic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMSP" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TSP" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_88215 +obo:CHEBI_88215 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds." ; + chebi:charge "0" ; + chebi:formula "O4Os" ; + chebi:inchi "InChI=1S/4O.Os" ; + chebi:inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N" ; + chebi:mass "254.222" ; + chebi:monoisotopicmass "255.94114" ; + chebi:smiles "O=[Os](=O)(=O)=O" ; + oboInOwl:hasDbXref "CAS:20816-12-0" , + "PMID:12530969" , + "PMID:23975065" , + "PMID:25871651" , + "Reaxys:11406415" , + "Wikipedia:Osmium_tetroxide" ; + oboInOwl:hasExactSynonym "tetraoxoosmium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Osmic acid" , + "Osmic acid anhydride" , + "Osmium oxide" , + "Osmium tetraoxide" , + "Perosmic acid anhydride" , + "Perosmic oxide" ; + oboInOwl:id "CHEBI:88215" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "osmium tetroxide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:20816-12-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:20816-12-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:12530969" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23975065" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25871651" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11406415" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetraoxoosmium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmic acid" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmic acid anhydride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmium oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmium tetraoxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Perosmic acid anhydride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Perosmic oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/IAO_0000005 +obo:IAO_0000005 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000033 ; + obo:IAO_0000111 "objective specification"@en ; + obo:IAO_0000112 "In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved."@en ; + obo:IAO_0000116 "2009-03-16: original definition when imported from OBI read: \"objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed.\""@en , + "2014-03-31: In the example of usage (\"In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction\") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that."@en , + "Answers the question, why did you do this experiment?"@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Barry Smith"@en , + "PERSON: Bjoern Peters"@en , + "PERSON: Jennifer Fostel"@en ; + obo:IAO_0000118 "goal specification"@en ; + obo:IAO_0000119 "OBI Plan and Planned Process/Roles Branch"@en , + "OBI_0000217"@en ; + rdfs:label "objective specification"@en . + + +### http://purl.obolibrary.org/obo/IAO_0000007 +obo:IAO_0000007 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000033 ; + obo:IAO_0000112 "Pour the contents of flask 1 into flask 2"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A directive information entity that describes an action the bearer will take."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "OBI Plan and Planned Process branch"@en ; + rdfs:label "action specification"@en . + + +### http://purl.obolibrary.org/obo/IAO_0000027 +obo:IAO_0000027 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000030 ; + obo:IAO_0000111 "data item"@en ; + obo:IAO_0000112 "Data items include counts of things, analyte concentrations, and statistical summaries."@en ; + obo:IAO_0000114 obo:IAO_0000125 ; + obo:IAO_0000115 "An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements."@en ; + obo:IAO_0000116 "2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers."@en , + "2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum."@en , + "2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym."@en , + "2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/" , + """JAR: datum -- well, this will be very tricky to define, but maybe some +information-like stuff that might be put into a computer and that is +meant, by someone, to denote and/or to be interpreted by some +process... I would include lists, tables, sentences... I think I might +defer to Barry, or to Brian Cantwell Smith +JAR: A data item is an approximately justified approximately true approximate belief"""@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Chris Stoeckert"@en , + "PERSON: Jonathan Rees"@en ; + obo:IAO_0000118 "data"@en ; + rdfs:label "data item"@en . -### http://purl.obolibrary.org/obo/OBI_0002247 -obo:OBI_0002247 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT1b (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 4 cm but not more than 7 cm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1b (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000030 +obo:IAO_0000030 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:IAO_0000136 ; + owl:someValuesFrom obo:BFO_0000001 + ] ; + obo:IAO_0000111 "information content entity"@en ; + obo:IAO_0000112 "Examples of information content entites include journal articles, data, graphical layouts, and graphs."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A generically dependent continuant that is about some thing."@en ; + obo:IAO_0000116 "2014-03-10: The use of \"thing\" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ)."@en , + """information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). -### http://purl.obolibrary.org/obo/OBI_0002248 -obo:OBI_0002248 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT2 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm in greatest dimension and limited to the kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (kidney)" . +Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity."""@en ; + obo:IAO_0000117 "PERSON: Chris Stoeckert"@en ; + obo:IAO_0000119 "OBI_0000142"@en ; + rdfs:label "information content entity"@en . -### http://purl.obolibrary.org/obo/OBI_0002249 -obo:OBI_0002249 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT2a (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm but not more than 10 cm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2a (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000033 +obo:IAO_0000033 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000030 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:IAO_0000136 ; + owl:someValuesFrom obo:BFO_0000017 + ] ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "An information content entity whose concretizations indicate to their bearer how to realize them in a process."@en ; + obo:IAO_0000116 "2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was \"is the specification of a process that can be concretized and realized by an actor\" with alternative term \"instruction\".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term."@en , + "2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it."@en , + "8/6/2009 Alan Ruttenberg: Changed label from \"information entity about a realizable\" after discussions at ICBO"@en , + "Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan"@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Bjoern Peters"@en ; + rdfs:label "directive information entity"@en . -### http://purl.obolibrary.org/obo/OBI_0002250 -obo:OBI_0002250 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT2b (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 10 cm and limited to the kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2b (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000078 +obo:IAO_0000078 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:oneOf ( obo:IAO_0000002 + obo:IAO_0000120 + obo:IAO_0000121 + obo:IAO_0000122 + obo:IAO_0000123 + obo:IAO_0000124 + obo:IAO_0000125 + obo:IAO_0000423 + obo:IAO_0000428 + ) + ] ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "curation status specification"@en ; + obo:IAO_0000114 obo:IAO_0000125 ; + obo:IAO_0000115 "The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; + obo:IAO_0000116 "Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting)"@en ; + obo:IAO_0000117 "PERSON:Bill Bug"@en ; + obo:IAO_0000119 "GROUP:OBI:"@en , + "OBI_0000266"@en ; + rdfs:label "curation status specification"@en . -### http://purl.obolibrary.org/obo/OBI_0002251 -obo:OBI_0002251 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor extends into major veins or perinephric tissues but not into the ipsilateral adrenal gland and not beyond the Gerota fascia." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000102 +obo:IAO_0000102 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000027 ; + obo:IAO_0000111 "data about an ontology part"@en ; + obo:IAO_0000115 "Data about an ontology part is a data item about a part of an ontology, for example a term"@en ; + obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; + rdfs:label "data about an ontology part"@en . -### http://purl.obolibrary.org/obo/OBI_0002252 -obo:OBI_0002252 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3a (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into the renal vein or its segmental (muscle containing) branches, or the tumor invades perirenal and/or renal sinus fat (peripelvic) fat but not beyond Gerota fascia." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3a (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000104 +obo:IAO_0000104 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000033 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:IAO_0000005 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:IAO_0000007 + ] ; + obo:IAO_0000111 "plan specification"@en ; + obo:IAO_0000112 "PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A directive information entity with action specifications and objective specifications as parts, and that may be concretized as a realizable entity that, if realized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified."@en ; + obo:IAO_0000116 "2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was \" a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan\". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term."@en , + "2014-03-31: A plan specification can have other parts, such as conditional specifications."@en , + "2022-01-16 Updated definition to that proposed by Clint Dowloand, IAO Issue 231."@en , + "Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved"@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en , + "Clint Dowland"@en ; + obo:IAO_0000119 "OBI Plan and Planned Process branch"@en , + "OBI_0000344"@en ; + rdfs:comment """2/3/2009 Comment from OBI review. +Action specification not well enough specified. +Conditional specification not well enough specified. +Question whether all plan specifications have objective specifications. -### http://purl.obolibrary.org/obo/OBI_0002253 -obo:OBI_0002253 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3b (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava below diaphragm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3b (kidney)" . +Request that IAO either clarify these or change definitions not to use them"""@en ; + rdfs:label "plan specification"@en ; + rdfs:seeAlso "https://github.com/information-artifact-ontology/IAO/issues/231#issuecomment-1010455131"@en . -### http://purl.obolibrary.org/obo/OBI_0002254 -obo:OBI_0002254 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3c (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava above the diaphragm or Invades the wall of the vena cava." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3c (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000140 +obo:IAO_0000140 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000027 ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "A settings datum is a datum that denotes some configuration of an instrument."@en ; + obo:IAO_0000116 """2/3/2009 Feedback from OBI +This should be a \"setting specification\". There is a question of whether it is information about a realizable or not. -### http://purl.obolibrary.org/obo/OBI_0002255 -obo:OBI_0002255 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT4 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor invades beyond Gerota fascia (including contiguous extension into the ipsilateral adrenal gland)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4 (kidney)" . +Pro other specification are about realizables. +Cons sometimes specifies a quality which is not a realizable."""@en , + "Alan grouped these in placeholder for the moment. Name by analogy to measurement datum."@en ; + rdfs:label "setting datum"@en . -### http://purl.obolibrary.org/obo/OBI_0002257 -obo:OBI_0002257 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT0 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000225 +obo:IAO_0000225 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:oneOf ( obo:IAO_0000103 + obo:IAO_0000226 + obo:IAO_0000227 + obo:IAO_0000228 + obo:IAO_0000229 + obo:OMO_0001000 + ) + ] ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "obsolescence reason specification"@en ; + obo:IAO_0000114 obo:IAO_0000125 ; + obo:IAO_0000115 "The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; + obo:IAO_0000116 "The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology."@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Melanie Courtot"@en ; + rdfs:label "obsolescence reason specification"@en . -### http://purl.obolibrary.org/obo/OBI_0002258 -obo:OBI_0002258 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to the ovaries (one or both)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000409 +obo:IAO_0000409 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:oneOf ( obo:IAO_0000410 + obo:IAO_0000420 + obo:IAO_0000421 + ) + ] ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "denotator type"@en ; + obo:IAO_0000112 "The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are \"natural kinds\" and the latter arbitrary collections of entities."@en ; + obo:IAO_0000115 "A denotator type indicates how a term should be interpreted from an ontological perspective."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "Barry Smith, Werner Ceusters"@en ; + rdfs:label "denotator type"@en . -### http://purl.obolibrary.org/obo/OBI_0002259 -obo:OBI_0002259 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1a (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one ovary; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1a (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000000 +obo:IAO_8000000 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "ontology module"@en ; + obo:IAO_0000116 "I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it."@en ; + obo:IAO_0000118 "ontology file"@en ; + obo:IAO_0000232 "This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology."@en ; + rdfs:label "ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002260 -obo:OBI_0002260 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1b (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to both ovaries; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1b (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000001 +obo:IAO_8000001 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "base ontology module"@en ; + obo:IAO_0000115 "An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies."@en ; + rdfs:label "base ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000002 +obo:IAO_8000002 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "editors ontology module"@en ; + obo:IAO_0000115 "An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users."@en ; + obo:IAO_0000118 "source ontology module"@en ; + rdfs:label "editors ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000003 +obo:IAO_8000003 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "main release ontology module"@en ; + obo:IAO_0000115 "An ontology module that is intended to be the primary release product and the one consumed by the majority of tools."@en ; + obo:IAO_0000116 "TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module"@en ; + rdfs:label "main release ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000004 +obo:IAO_8000004 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "bridge ontology module"@en ; + obo:IAO_0000115 "An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module."@en ; + rdfs:label "bridge ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000005 +obo:IAO_8000005 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "import ontology module"@en ; + obo:IAO_0000115 "A subset ontology module that is intended to be imported from another ontology."@en ; + obo:IAO_0000116 "TODO: add axioms that indicate this is the output of a module extraction process."@en ; + obo:IAO_0000118 "import file"@en ; + rdfs:label "import ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000006 +obo:IAO_8000006 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "subset ontology module"@en ; + obo:IAO_0000115 "An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms."@en ; + obo:IAO_0000118 "ontology slim"@en , + "subset ontology"@en ; + rdfs:label "subset ontology module"@en ; + rdfs:seeAlso , + . + + +### http://purl.obolibrary.org/obo/IAO_8000007 +obo:IAO_8000007 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "curation subset ontology module"@en ; + obo:IAO_0000115 "A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation."@en ; + rdfs:label "curation subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000008 +obo:IAO_8000008 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "analysis ontology module"@en ; + obo:IAO_0000115 "An ontology module that is intended for usage in analysis or discovery applications."@en ; + rdfs:label "analysis subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000009 +obo:IAO_8000009 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "single layer ontology module"@en ; + obo:IAO_0000115 "A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint."@en ; + obo:IAO_0000118 "ribbon subset"@en ; + rdfs:label "single layer subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000010 +obo:IAO_8000010 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "exclusion subset ontology module"@en ; + obo:IAO_0000115 "A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes."@en ; + obo:IAO_0000118 "antislim"@en ; + rdfs:label "exclusion subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000011 +obo:IAO_8000011 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000005 ; + obo:IAO_0000111 "external import ontology module"@en ; + obo:IAO_0000115 "An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach."@en ; + obo:IAO_0000118 "external import"@en ; + rdfs:label "external import ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000012 +obo:IAO_8000012 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "species subset ontology module"@en ; + obo:IAO_0000115 "A subset ontology that is crafted to either include or exclude a taxonomic grouping of species."@en ; + obo:IAO_0000118 "taxon subset"@en ; + rdfs:label "species subset ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000013 +obo:IAO_8000013 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "reasoned ontology module"@en ; + obo:IAO_0000115 "An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available."@en ; + rdfs:label "reasoned ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000014 +obo:IAO_8000014 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "generated ontology module"@en ; + obo:IAO_0000115 "An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV."@en ; + obo:IAO_0000116 "TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process"@en ; + rdfs:label "generated ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002261 -obo:OBI_0002261 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1c (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one or both ovaries with capsule ruptured, tumor on ovarian surface, or malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1c (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000015 +obo:IAO_8000015 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000014 ; + obo:IAO_0000111 "template generated ontology module"@en ; + obo:IAO_0000115 "An ontology module that is automatically generated from a template specification and fillers for slots in that template."@en ; + rdfs:label "template generated ontology module"@en ; + rdfs:seeAlso , + , + . -### http://purl.obolibrary.org/obo/OBI_0002262 -obo:OBI_0002262 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with pelvic extension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000016 +obo:IAO_8000016 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000004 ; + obo:IAO_0000111 "taxonomic bridge ontology module"@en ; + rdfs:label "taxonomic bridge ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002263 -obo:OBI_0002263 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2a (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension and/or implants on uterus and/or tube(s) and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2a (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000017 +obo:IAO_8000017 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "ontology module subsetted by expressivity"@en ; + rdfs:label "ontology module subsetted by expressivity"@en . -### http://purl.obolibrary.org/obo/OBI_0002264 -obo:OBI_0002264 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2b (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension to other pelvic tissues and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2b (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000018 +obo:IAO_8000018 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000017 ; + obo:IAO_0000111 "obo basic subset ontology module"@en ; + obo:IAO_0000115 """A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. +Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). -### http://purl.obolibrary.org/obo/OBI_0002265 -obo:OBI_0002265 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2c (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has pelvic extension with malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2c (ovary)" . +An ontology is OBO Basic if and only if it has the following characteristics: +DAG +Unidirectional +No Dangling Clauses +Fully Asserted +Fully Labeled +No equivalence axioms +Singly labeled edges +No qualifier lists +No disjointness axioms +No owl-axioms header +No imports"""@en ; + rdfs:label "obo basic subset ontology module"@en ; + rdfs:seeAlso . -### http://purl.obolibrary.org/obo/OBI_0002266 -obo:OBI_0002266 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with microscopically confirmed peritoneal metastasis outside the pelvis and/or regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000019 +obo:IAO_8000019 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000017 ; + obo:IAO_0000111 "ontology module subsetted by OWL profile"@en ; + rdfs:label "ontology module subsetted by OWL profile"@en . -### http://purl.obolibrary.org/obo/OBI_0002267 -obo:OBI_0002267 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3a (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has microscopic peritoneal metastasis beyond pelvis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3a (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000020 +obo:IAO_8000020 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000019 ; + obo:IAO_0000111 "EL++ ontology module"@en ; + rdfs:label "EL++ ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002268 -obo:OBI_0002268 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3b (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has macroscopic peritoneal, metastatasis beyond pelvis, 2 cm or less in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3b (ovary)" . +### http://purl.obolibrary.org/obo/NCBITaxon_9606 +obo:NCBITaxon_9606 rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002269 -obo:OBI_0002269 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3c (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has peritoneal metastasis beyond pelvis, more than 2 cm in greatest dimension and/or regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3c (ovary)" . +### http://purl.obolibrary.org/obo/OBI_0000011 +obo:OBI_0000011 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000055 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000059 ; + owl:someValuesFrom obo:IAO_0000104 + ] + ] ; + rdfs:subClassOf obo:BFO_0000015 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000055 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000059 ; + owl:someValuesFrom obo:IAO_0000104 + ] + ] ; + obo:IAO_0000111 "planned process" ; + obo:IAO_0000112 "Injecting mice with a vaccine in order to test its efficacy" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A process that realizes a plan which is the concretization of a plan specification."@en ; + obo:IAO_0000116 "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" , + """We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some +objectives is a planned process.""" ; + obo:IAO_0000117 "Bjoern Peters" ; + obo:IAO_0000119 "branch derived" ; + obo:IAO_0000232 "6/11/9: Edited at workshop. Used to include: is initiated by an agent" , + "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)"@en ; + rdfs:label "planned process"@en . -### http://purl.obolibrary.org/obo/OBI_0002271 -obo:OBI_0002271 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN0 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating no regional lymph node metastsis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000047 +obo:OBI_0000047 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:BFO_0000040 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000312 ; + owl:someValuesFrom obo:OBI_0000094 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:BFO_0000040 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000312 ; + owl:someValuesFrom obo:OBI_0000094 + ] ; + obo:IAO_0000111 "processed material"@en ; + obo:IAO_0000112 "Examples include gel matrices, filter paper, parafilm and buffer solutions, mass spectrometer, tissue samples"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "Is a material entity that is created or changed during material processing."@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en ; + rdfs:label "processed material"@en . -### http://purl.obolibrary.org/obo/OBI_0002272 -obo:OBI_0002272 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1-3 regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000094 +obo:OBI_0000094 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000456 + ] ; + rdfs:subClassOf obo:OBI_0000011 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom obo:OBI_0000047 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000456 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000293 ; + owl:allValuesFrom obo:BFO_0000040 + ] ; + obo:IAO_0000111 "material processing" ; + obo:IAO_0000112 "A cell lysis, production of a cloning vector, creating a buffer." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A planned process which results in physical changes in a specified input material"@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters"@en , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca Serra" ; + obo:IAO_0000118 "material transformation"@en ; + obo:IAO_0000119 "OBI branch derived"@en ; + rdfs:label "material processing"@en . -### http://purl.obolibrary.org/obo/OBI_0002273 -obo:OBI_0002273 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1 regional lymph node." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1a (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000245 +obo:OBI_0000245 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000111 "organization"@en ; + obo:IAO_0000112 "PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members."@en ; + obo:IAO_0000116 """BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: +1) there are organization_member_roles (president, treasurer, branch +editor), with individual persons as bearers -### http://purl.obolibrary.org/obo/OBI_0002274 -obo:OBI_0002274 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 2-3 regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1b (colon)" . +2) there are organization_roles (employer, owner, vendor, patent holder) +3) an organization has a charter / rules / bylaws, which specify what roles +there are, how they should be realized, and how to modify the +charter/rules/bylaws themselves. -### http://purl.obolibrary.org/obo/OBI_0002275 -obo:OBI_0002275 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1c (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating tumor deposit(s), i.e., satellites in the subserosa, or in non-peritonealized pericolic or perirectal soft tissue without regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1c (colon)" . +It is debatable what the organization itself is (some kind of dependent +continuant or an aggregate of people). This also determines who/what the +bearer of organization_roles' are. My personal favorite is still to define +organization as a kind of 'legal entity', but thinking it through leads to +all kinds of questions that are clearly outside the scope of OBI. +Interestingly enough, it does not seem to matter much where we place +organization itself, as long as we can subclass it (University, Corporation, +Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, +W3C, University of Oklahoma), and have it play roles. -### http://purl.obolibrary.org/obo/OBI_0002276 -obo:OBI_0002276 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN2 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 or more regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2 (colon)" . +This leads to my proposal: We define organization through the statements 1 - +3 above, but without an 'is a' statement for now. We can leave it in its +current place in the is_a hierarchy (material entity) or move it up to +'continuant'. We leave further clarifications to BFO, and close this issue +for now."""@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg" , + "PERSON: Bjoern Peters" , + "PERSON: Philippe Rocca-Serra" , + "PERSON: Susanna Sansone" ; + obo:IAO_0000119 "GROUP: OBI" ; + rdfs:label "organization"@en . -### http://purl.obolibrary.org/obo/OBI_0002277 -obo:OBI_0002277 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN2a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 to 6 regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2a (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000370 +obo:OBI_0000370 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 ; + obo:IAO_0000111 "contain function"@en ; + obo:IAO_0000112 "A syringe, a beaker" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A contain function is a function to constrain a material entities location in space"@en ; + obo:IAO_0000117 "Bill Bug" , + "Daniel Schober" , + "Frank Gibson" , + "Melanie Courtot" ; + rdfs:label "contain function"@en . -### http://purl.obolibrary.org/obo/OBI_0002278 -obo:OBI_0002278 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN2b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 7 or more regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2b (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000392 +obo:OBI_0000392 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:OBI_0000453 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:OBI_0000455 + ] ; + obo:IAO_0000111 "information processor function"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "An information processor function is a function that converts information from one form to another, by a lossless process or an extraction process."@en ; + obo:IAO_0000117 "Frank Gibson" ; + obo:IAO_0000118 "data processor function"@en ; + rdfs:label "information processor function"@en . -### http://purl.obolibrary.org/obo/OBI_0002280 -obo:OBI_0002280 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN0 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating no regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000453 +obo:OBI_0000453 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000079 ; + owl:someValuesFrom obo:OBI_0000047 + ] ; + obo:IAO_0000111 "measure function"@en ; + obo:IAO_0000112 "A glucometer measures blood glucose concentration, the glucometer has a measure function." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "Measure function is a function that is borne by a processed material and realized in a process in which information about some entity is expressed relative to some reference."@en ; + obo:IAO_0000117 "PERSON: Daniel Schober" , + "PERSON: Helen Parkinson" , + "PERSON: Melanie Courtot" , + "PERSON:Frank Gibson" ; + rdfs:label "measure function"@en . -### http://purl.obolibrary.org/obo/OBI_0002281 -obo:OBI_0002281 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral peribronchial and/or ipsilateral hilar lymph nodes and intrapulmonary nodes, including involvement by direct extension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000455 +obo:OBI_0000455 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000079 ; + owl:someValuesFrom obo:BFO_0000040 + ] ; + obo:IAO_0000111 "consume data function"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "Process data function is a function that is borne by in a material entity by virtue of its structure. When realized the material entity consumes data."@en ; + obo:IAO_0000117 "PERSON: Daniel Schober" , + "PERSON: Frank Gibson" , + "PERSON: Melanie Courtot" ; + rdfs:label "consume data function"@en . -### http://purl.obolibrary.org/obo/OBI_0002282 -obo:OBI_0002282 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN2 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral mediastinal and/or subcarinal lymph node(s)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000456 +obo:OBI_0000456 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000005 ; + obo:IAO_0000111 "material transformation objective" ; + obo:IAO_0000112 "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "an objective specifiction that creates an specific output object from input materials."@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters" , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca-Serra" ; + obo:IAO_0000118 "artifact creation objective"@en ; + obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; + rdfs:label "material transformation objective"@en . -### http://purl.obolibrary.org/obo/OBI_0002283 -obo:OBI_0002283 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN3 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in contralateral mediastinal, contralateral hilar, ipsilateral or contralateral scalene, or supraclavicular lymph node(s)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN3 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000457 +obo:OBI_0000457 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000458 + ] ; + rdfs:subClassOf obo:OBI_0000094 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000293 ; + owl:someValuesFrom obo:BFO_0000040 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000458 + ] ; + obo:IAO_0000111 "manufacturing" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A planned process with the objective to produce a processed material which will have a function for future use."@en ; + obo:IAO_0000116 "A person or organization (having manufacturer role) is a participant in this process" , + "Manufacturing implies reproducibility and responsibility AR" , + "This includes a single scientist making a processed material for personal use."@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters" , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca-Serra" ; + obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; + rdfs:label "manufacturing"@en . -### http://purl.obolibrary.org/obo/OBI_0002285 -obo:OBI_0002285 rdf:type owl:NamedIndividual , - obo:OBI_0002284 ; - obo:IAO_0000111 "pN0 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is no regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (kidney)" . +### http://purl.obolibrary.org/obo/OBI_0000458 +obo:OBI_0000458 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000456 ; + obo:IAO_0000111 "manufacturing objective" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "is the objective to manufacture a material of a certain function (device)"@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters" , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca-Serra" ; + obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; + rdfs:label "manufacturing objective"@en . -### http://purl.obolibrary.org/obo/OBI_0002286 -obo:OBI_0002286 rdf:type owl:NamedIndividual , - obo:OBI_0002284 ; - obo:IAO_0000111 "pN1 (kidney)" ; +### http://purl.obolibrary.org/obo/OBI_0000522 +obo:OBI_0000522 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000967 ; + obo:IAO_0000111 "vial" ; obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (kidney)" . + obo:IAO_0000115 "A container made from solid material and primarily used for holding liquid."@en ; + obo:IAO_0000117 "https://orcid.org/0000-0002-8844-9165" ; + obo:IAO_0000119 "https://en.wikipedia.org/wiki/Vial" ; + rdfs:label "vial" . -### http://purl.obolibrary.org/obo/OBI_0002288 -obo:OBI_0002288 rdf:type owl:NamedIndividual , - obo:OBI_0002287 ; - obo:IAO_0000111 "pN0 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is no regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (ovary)" . +### http://purl.obolibrary.org/obo/OBI_0000571 +obo:OBI_0000571 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000023 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000052 ; + owl:someValuesFrom [ rdf:type owl:Class ; + owl:unionOf ( obo:NCBITaxon_9606 + obo:OBI_0000245 + ) + ] + ] ; + obo:IAO_0000111 "manufacturer role" ; + obo:IAO_0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process."@en ; + obo:IAO_0000117 "GROUP: Role Branch" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "manufacturer role" . -### http://purl.obolibrary.org/obo/OBI_0002289 -obo:OBI_0002289 rdf:type owl:NamedIndividual , - obo:OBI_0002287 ; - obo:IAO_0000111 "pN1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (ovary)" . +### http://purl.obolibrary.org/obo/OBI_0000832 +obo:OBI_0000832 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000968 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000453 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000453 + ] ; + obo:IAO_0000111 "measurement device" ; + obo:IAO_0000112 "A ruler, a microarray scanner, a Geiger counter." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A device in which a measure function inheres."@en ; + obo:IAO_0000117 "GROUP:OBI Philly workshop" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "measurement device" . -### http://purl.obolibrary.org/obo/OBI_0002291 -obo:OBI_0002291 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM0 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there are no symptoms or signs of distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000835 +obo:OBI_0000835 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Class ; + owl:unionOf ( obo:NCBITaxon_9606 + obo:OBI_0000245 + ) + ] + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:OBI_0000571 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:BFO_0000040 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:OBI_0000571 + ] ; + obo:IAO_0000111 "manufacturer" ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "A person or organization that has a manufacturer role."@en ; + rdfs:label "manufacturer" . -### http://purl.obolibrary.org/obo/OBI_0002292 -obo:OBI_0002292 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM1 (colon)" ; +### http://purl.obolibrary.org/obo/OBI_0000836 +obo:OBI_0000836 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000522 ; + obo:IAO_0000111 "test tube" ; obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is clinical evidence of distant metastases by history, physical examination, imaging studies, or invasive procedures, but without microscopic evidence of the presumed distant metastases." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (colon)" . + obo:IAO_0000115 "A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material"@en ; + obo:IAO_0000117 "Bjoern Peters" ; + obo:IAO_0000118 "collection tube" , + "sample tube" ; + obo:IAO_0000119 "http://en.wikipedia.org/wiki/Test_tube" ; + rdfs:label "test tube" . -### http://purl.obolibrary.org/obo/OBI_0002293 -obo:OBI_0002293 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM1a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1a (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000967 +obo:OBI_0000967 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000968 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000370 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000370 + ] ; + obo:IAO_0000111 "container" ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "A device that can be used to restrict the location of material entities over time"@en ; + obo:IAO_0000116 "03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?)" ; + obo:IAO_0000117 "PERSON: Bjoern Peters" ; + rdfs:label "container" . -### http://purl.obolibrary.org/obo/OBI_0002294 -obo:OBI_0002294 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM1b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1b (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000968 +obo:OBI_0000968 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000047 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:BFO_0000034 + ] ; + obo:IAO_0000111 "device" ; + obo:IAO_0000112 "A voltmeter is a measurement device which is intended to perform some measure function." , + "An autoclave is a device that sterlizes instruments or contaminated waste by applying high temperature and pressure." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A material entity that is designed to perform a function in a scientific investigation, but is not a reagent."@en ; + obo:IAO_0000116 """2012-12-17 JAO: In common lab usage, there is a distinction made between devices and reagents that is difficult to model. Therefore we have chosen to specifically exclude reagents from the definition of \"device\", and are enumerating the types of roles that a reagent can perform. +2013-6-5 MHB: The following clarifications are outcomes of the May 2013 Philly Workshop. Reagents are distinguished from devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in some chemical interaction or reaction during the realization of their experimental role. By contrast, devices do not participate in such chemical reactions/interactions. Note that there are cases where devices use reagent components during their operation, where the reagent-device distinction is less clear. For example: -### http://purl.obolibrary.org/obo/OBI_0002295 -obo:OBI_0002295 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "pM1 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is microscopic evidence confirming distant metastatic disease." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (colon)" . +(1) An HPLC machine is considered a device, but has a column that holds a stationary phase resin as an operational component. This resin qualifies as a device if it participates purely in size exclusion, but bears a reagent role that is realized in the running of a column if it interacts electrostatically or chemically with the evaluant. The container the resin is in (“the column”) considered alone is a device. So the entire column as well as the entire HPLC machine are devices that have a reagent as an operating part. +(2) A pH meter is a device, but its electrode component bears a reagent role in virtue of its interacting directly with the evaluant in execution of an assay. -### http://purl.obolibrary.org/obo/OBI_0002296 -obo:OBI_0002296 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "pM1a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ and histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1a (colon)" . +(3) A gel running box is a device that has a metallic lead as a component that participates in a chemical reaction with the running buffer when a charge is passed through it. This metallic lead is considered to have a reagent role as a component of this device realized in the running of a gel. +In the examples above, a reagent is an operational component of a device, but the device itself does not realize a reagent role (as bearing a reagent role is not transitive across the part_of relation). In this way, the asserted disjointness between a reagent and device holds, as both roles are never realized in the same bearer during execution of an assay.""" ; + obo:IAO_0000117 "PERSON: Helen Parkinson" ; + obo:IAO_0000118 "instrument" ; + obo:IAO_0000119 "OBI development call 2012-12-17." ; + rdfs:label "device" . -### http://purl.obolibrary.org/obo/OBI_0002297 -obo:OBI_0002297 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "pM1b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum and histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1b (colon)" . +### http://purl.obolibrary.org/obo/OBI_0100026 +obo:OBI_0100026 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000111 "organism"@en ; + obo:IAO_0000112 "animal"@en , + "fungus"@en , + "plant"@en , + "virus"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs."@en ; + obo:IAO_0000116 "10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms')" , + """13-02-2009: +OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. +This issue is outside the scope of OBI.""" ; + obo:IAO_0000117 "GROUP: OBI Biomaterial Branch" ; + obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/Organism"@en ; + rdfs:label "organism"@en . -### http://purl.obolibrary.org/obo/OBI_0002299 -obo:OBI_0002299 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM0 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is no distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0400107 +obo:OBI_0400107 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000392 + ] ; + obo:IAO_0000111 "computer" ; + obo:IAO_0000112 "Apple PowerBook, Dell OptiPlex" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A computer is an instrument which manipulates (stores, retrieves, and processes) data according to a list of instructions."@en ; + obo:IAO_0000117 "Melanie Courtot" , + "Trish Whetzel" ; + obo:IAO_0000119 "http://en.wikipedia.org/wiki/Computer" ; + rdfs:label "computer" . -### http://purl.obolibrary.org/obo/OBI_0002300 -obo:OBI_0002300 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (lung)" . +### http://purl.obolibrary.org/obo/UBERON_0000465 +obo:UBERON_0000465 rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002301 -obo:OBI_0002301 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM1a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is based on clinical assessment and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1a (lung)" . +### http://purl.obolibrary.org/obo/UBERON_0000477 +obo:UBERON_0000477 rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002302 -obo:OBI_0002302 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM1b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1b (lung)" . +### http://www.geneontology.org/formats/oboInOwl#ObsoleteClass +oboInOwl:ObsoleteClass rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002303 -obo:OBI_0002303 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "pM1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (lung)" . +################################################################# +# Individuals +################################################################# -### http://purl.obolibrary.org/obo/OBI_0002304 -obo:OBI_0002304 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "pM1a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is histologically confirmed and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1a (lung)" . +### http://nmrML.org/nmrCV#NMR:0003000 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T13:28:30Z"^^xsd:dateTime ; + dcterms:source "https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific" ; + rdfs:label "Thermo Fischer" ; + skos:altLabel "Thermo FIsher Scientific" , + "Thermo Fisher Scientific Inc." , + "Thermo Scientific™" ; + foaf:homepage "https://thermofisher.com" . + + +### http://nmrML.org/nmrCV#NMR:0003001 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:26:12Z"^^xsd:dateTime ; + rdfs:label "Magritek" ; + foaf:homepage "https://magritek.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003002 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:30:14Z"^^xsd:dateTime ; + rdfs:label "Nanalysis" ; + foaf:homepage "https://www.nanalysis.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003003 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:32:08Z"^^xsd:dateTime ; + rdfs:label "NMR Service" ; + skos:altLabel "NMR Service GmbH" ; + foaf:homepage "https://nmr-service.de/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003004 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:33:47Z"^^xsd:dateTime ; + rdfs:label "Deutero" ; + foaf:homepage "https://www.deutero.de/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003005 + rdf:type owl:NamedIndividual ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:36:15Z"^^xsd:dateTime ; + rdfs:label "Norell®" ; + foaf:homepage "https://secure.nmrtubes.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003006 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:40:56Z"^^xsd:dateTime ; + rdfs:label "Chemagnetics" . + + +### http://nmrML.org/nmrCV#NMR:0003007 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:42:26Z"^^xsd:dateTime ; + rdfs:label "Nalorac" . + + +### http://nmrML.org/nmrCV#NMR:1000388 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:identifier "GB0006650450" ; + dcterms:source "https://en.wikipedia.org/wiki/Oxford_Instruments"^^xsd:anyURI ; + rdfs:label "Oxford Instruments"@en ; + foaf:homepage "https://www.oxinst.com"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1000389 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Spinlock SRL"@en ; + skos:altLabel "Spinlock" ; + foaf:homepage "https://spinlock.com.ar"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1000390 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "General Electric"@en . + + +### http://nmrML.org/nmrCV#NMR:1000391 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Kimble Chase"@en ; + skos:altLabel "Kimble Chase Life Science and Research Products LLC" ; + foaf:homepage "https://www.dwk.com/about-us"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1000392 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Phillips"@en . + + +### http://nmrML.org/nmrCV#NMR:1000393 + rdf:type owl:NamedIndividual ; + rdfs:label "Siemens AG"@en . + + +### http://nmrML.org/nmrCV#NMR:1400256 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/Bruker"^^xsd:anyURI ; + rdfs:label "Bruker" ; + skos:altLabel "Bruker Corporation" ; + foaf:homepage "https://www.bruker.com"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400257 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/Varian,_Inc."^^xsd:anyURI ; + rdfs:label "Varian" ; + skos:altLabel "Varian, Inc." . + + +### http://nmrML.org/nmrCV#NMR:1400258 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/JEOL"^^xsd:anyURI ; + rdfs:label "JEOL" ; + skos:altLabel "Nihon Denshi Kabushiki-kaisha"@ja , + "日本電子"@ja ; + foaf:homepage "https://www.jeol.co.jp" . + + +### http://nmrML.org/nmrCV#NMR:1400259 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "MR Resources" ; + foaf:homepage "https://www.mrr.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400260 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "tecmag" ; + skos:altLabel "Tecmag" ; + foaf:homepage "https://tecmag.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400264 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Doty Scientific" ; + skos:altLabel "Doty Scientific, Inc." ; + foaf:homepage "https://dotynmr.com"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400265 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Wilmad" ; + foaf:homepage "https://sp-wilmadlabglass.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400266 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "JS Research" ; + skos:altLabel "J S RESEARCH INC." , + "JSR" ; + foaf:homepage "https://www.jsresearch.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400270 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Acorn NMR Inc" . + + +### http://nmrML.org/nmrCV#NMR:1400306 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "ThermoMattson" . + + +### http://nmrML.org/nmrCV#NMR:1400307 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "FOSS" . + + +### http://nmrML.org/nmrCV#NMR:1400308 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Jasco" . + + +### http://nmrML.org/nmrCV#NMR:1400309 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/Agilent_Technologies"^^xsd:anyURI ; + rdfs:label "Agilent Technologies" ; + foaf:homepage "https://www.agilent.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400310 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "micromass" . + + +### http://nmrML.org/nmrCV#NMR:1400311 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Waters" . + + +### http://nmrML.org/nmrCV#NMR:1400312 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "ThermoNicolet" . + + +### http://nmrML.org/nmrCV#NMR:1400313 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Perkin Elmer" . + + +### http://nmrML.org/nmrCV#NMR:1400314 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "OceanOptics" . + + +### http://nmrML.org/nmrCV#NMR:1400315 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "ThermoFinnigan" . -### http://purl.obolibrary.org/obo/OBI_0002305 -obo:OBI_0002305 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "pM1b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed and associated with distant lymph nodes or carcinomatosis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1b (lung)" . +### http://nmrML.org/nmrCV#NMR:1400316 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Applied Biosystems" . -### http://purl.obolibrary.org/obo/OBI_0002307 -obo:OBI_0002307 rdf:type owl:NamedIndividual , - obo:OBI_0002306 ; - obo:IAO_0000111 "cM0 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is no distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1400317 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "TX" . -### http://purl.obolibrary.org/obo/OBI_0002308 -obo:OBI_0002308 rdf:type owl:NamedIndividual , - obo:OBI_0002306 ; - obo:IAO_0000111 "cM1 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1400322 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "acdlabs" . -### http://purl.obolibrary.org/obo/OBI_0002309 -obo:OBI_0002309 rdf:type owl:NamedIndividual , - obo:OBI_0002306 ; - obo:IAO_0000111 "pM1 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000002 +obo:IAO_0000002 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "example to be eventually removed"@en ; + rdfs:label "example to be eventually removed"@en . -### http://purl.obolibrary.org/obo/OBI_0002311 -obo:OBI_0002311 rdf:type owl:NamedIndividual , - obo:OBI_0002310 ; - obo:IAO_0000111 "cM0 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is no distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000103 +obo:IAO_0000103 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "failed exploratory term"@en ; + obo:IAO_0000115 "The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job"@en ; + obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; + rdfs:label "failed exploratory term"@en . -### http://purl.obolibrary.org/obo/OBI_0002312 -obo:OBI_0002312 rdf:type owl:NamedIndividual , - obo:OBI_0002310 ; - obo:IAO_0000111 "cM1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000120 +obo:IAO_0000120 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "metadata complete"@en ; + obo:IAO_0000115 "Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete."@en ; + rdfs:label "metadata complete"@en . -### http://purl.obolibrary.org/obo/OBI_0002313 -obo:OBI_0002313 rdf:type owl:NamedIndividual , - obo:OBI_0002310 ; - obo:IAO_0000111 "pM1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis that is histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000121 +obo:IAO_0000121 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "organizational term"@en ; + obo:IAO_0000115 "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en ; + rdfs:label "organizational term"@en . -### http://purl.obolibrary.org/obo/OBI_0002315 -obo:OBI_0002315 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Occult Carcinoma (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating a small carcinoma, either asymptomatic or giving rise to metastases without symptoms due to the primary carcinoma." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Occult Carcinoma" ; - obo:IAO_0000119 "http://www.medilexicon.com/dictionary/14371" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Occult Carcinoma (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002316 -obo:OBI_0002316 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage 0 (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating a carcinoma in situ (or melanoma in situ for melanoma of the skin or germ cell neoplasia in situ for testicular germ cell tumors) and generally is considered to have no metastatic potential." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 0" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 0 (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002317 -obo:OBI_0002317 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage I (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers that are smaller or less deeply invasive without regional disease or nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage I" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage I (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002318 -obo:OBI_0002318 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIA (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIB and IIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002319 -obo:OBI_0002319 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIB (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIB (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002320 -obo:OBI_0002320 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIC (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIB." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIC" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIC (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002321 -obo:OBI_0002321 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIIA (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIB and IIIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIA (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002322 -obo:OBI_0002322 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIIB (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIB (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002323 -obo:OBI_0002323 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIIC (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIB." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIC" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIC (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002324 -obo:OBI_0002324 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IVA (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVB." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVA (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002325 -obo:OBI_0002325 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IVB (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVA." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVB (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002327 -obo:OBI_0002327 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating invasive carcinoma which can be diagnosed only by microscopy, with deepest invasion <5 mm and the largest extension <7 mm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002328 -obo:OBI_0002328 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IA1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of <3.0 mm in depth and extension of <7.0 mm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IA1" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IA1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002329 -obo:OBI_0002329 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IA2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of >3.0 mm and not >5.0 mm with an extension of not >7.0 mm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IA2" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IA2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002330 -obo:OBI_0002330 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesions limited to the cervix uteri or pre-clinical cancers greater than stage IA" ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002331 -obo:OBI_0002331 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IB1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA <4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IB1" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IB1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002332 -obo:OBI_0002332 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IB2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA >4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IB2" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IB2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002333 -obo:OBI_0002333 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002334 -obo:OBI_0002334 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIA1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion <4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA1" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002335 -obo:OBI_0002335 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIA2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion >4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA2" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002336 -obo:OBI_0002336 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina with obvious parametrial invasion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002337 -obo:OBI_0002337 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIIA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating tumour involves lower third of the vagina, with no extension to the pelvic wall." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002338 -obo:OBI_0002338 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIIB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating extension to the pelvic wall and/or hydronephrosis or non-functioning kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002339 -obo:OBI_0002339 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IVA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread of the growth to adjacent organs." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002340 -obo:OBI_0002340 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IVB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread to distant organs." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002342 -obo:OBI_0002342 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002343 -obo:OBI_0002343 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1A (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1a, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1A" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1A (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002344 -obo:OBI_0002344 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1B (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1b, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1B" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1B (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002345 -obo:OBI_0002345 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1C (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1c, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1C" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1C (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002346 -obo:OBI_0002346 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002347 -obo:OBI_0002347 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2A (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2a, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2A" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2A (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002348 -obo:OBI_0002348 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2B (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2b, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2B" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2B (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002349 -obo:OBI_0002349 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2C (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2c, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2C" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2C (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002350 -obo:OBI_0002350 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3, N0, and M0) or (T3,3a,3b, NX, and M0)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002351 -obo:OBI_0002351 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3A (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3a, N0, and M0 ." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3A" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3A (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002352 -obo:OBI_0002352 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3B (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3b, N0, and M0 ." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3B" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3B (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002353 -obo:OBI_0002353 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3C (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3c, N0,X and M0) or (any T, N1 and M0)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3C" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3C (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002354 -obo:OBI_0002354 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 4 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of any T, any N, and M1." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 4" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 4 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002355 -obo:OBI_0002355 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage Unknown (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T0, N0, and M0) or (T1,1a-1c,2,2a-2c, NX, and M0) or (TX, N0,X, M0)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage Unknown" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage Unknown (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002358 -obo:OBI_0002358 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "3: symptomatic in bed more than 50% of the day but not bed ridden" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and in bed for more than 50% of the day but is not bed ridden." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "3: symptomatic in bed more than 50% of the day but not bed ridden" . +### http://purl.obolibrary.org/obo/IAO_0000122 +obo:IAO_0000122 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "ready for release"@en ; + obo:IAO_0000115 "Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking \"ready_for_release\" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed \"ready_for_release\" will also derived from a chain of ancestor classes that are also \"ready_for_release.\""@en ; + rdfs:label "ready for release"@en . -### http://purl.obolibrary.org/obo/OBI_0002359 -obo:OBI_0002359 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "2: symptomatic but in bed less than 50% of the day" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is in bed for less than 50% of the day." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "2: symptomatic but in bed less than 50% of the day" . +### http://purl.obolibrary.org/obo/IAO_0000123 +obo:IAO_0000123 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "metadata incomplete"@en ; + obo:IAO_0000115 "Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors."@en ; + rdfs:label "metadata incomplete"@en . -### http://purl.obolibrary.org/obo/OBI_0002360 -obo:OBI_0002360 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "4: bed ridden" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and is bed ridden." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "4: bed ridden" . +### http://purl.obolibrary.org/obo/IAO_0000124 +obo:IAO_0000124 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "uncurated"@en ; + obo:IAO_0000115 "Nothing done yet beyond assigning a unique class ID and proposing a preferred term."@en ; + rdfs:label "uncurated"@en . -### http://purl.obolibrary.org/obo/OBI_0002361 -obo:OBI_0002361 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "0: asymptomatic" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is asymptomatic." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "0: asymptomatic" . +### http://purl.obolibrary.org/obo/IAO_0000125 +obo:IAO_0000125 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "pending final vetting"@en ; + obo:IAO_0000115 "All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor."@en ; + rdfs:label "pending final vetting"@en . -### http://purl.obolibrary.org/obo/OBI_0002362 -obo:OBI_0002362 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "1: symptomatic but fully ambulatory" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is fully ambulatory." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "1: symptomatic but fully ambulatory" . +### http://purl.obolibrary.org/obo/IAO_0000224 +obo:IAO_0000224 rdf:type owl:NamedIndividual ; + obo:IAO_0000115 "Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes."@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Melanie Courtot"@en ; + obo:IAO_0000231 obo:IAO_0000226 ; + rdfs:label "obsolete_core"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/OBI_0002364 -obo:OBI_0002364 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "100: asymptomatic" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is asymptomatic." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "100: asymptomatic" . +### http://purl.obolibrary.org/obo/IAO_0000226 +obo:IAO_0000226 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "placeholder removed"@en ; + rdfs:label "placeholder removed"@en . -### http://purl.obolibrary.org/obo/OBI_0002365 -obo:OBI_0002365 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "80-90: symptomatic but fully ambulatory" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is symptomatic but fully ambulatory." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "80-90: symptomatic but fully ambulatory" . +### http://purl.obolibrary.org/obo/IAO_0000227 +obo:IAO_0000227 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "terms merged"@en ; + obo:IAO_0000116 "An editor note should explain what were the merged terms and the reason for the merge."@en ; + rdfs:label "terms merged"@en . -### http://purl.obolibrary.org/obo/OBI_0002366 -obo:OBI_0002366 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "60-70: symptomatic but in bed less than 50% of the day" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is symptomatic but in bed less than 50% of the day." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "60-70: symptomatic but in bed less than 50% of the day" . +### http://purl.obolibrary.org/obo/IAO_0000228 +obo:IAO_0000228 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "term imported"@en ; + obo:IAO_0000116 "This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use."@en ; + rdfs:label "term imported"@en . -### http://purl.obolibrary.org/obo/OBI_0002367 -obo:OBI_0002367 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "40-50: symptomatic, in bed more than 50% of the day, but not bed ridden" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is symptomatic, in bed more than 50% of the day, but not bed ridden." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "40-50: symptomatic, in bed more than 50% of the day, but not bed ridden" . +### http://purl.obolibrary.org/obo/IAO_0000229 +obo:IAO_0000229 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "term split"@en ; + obo:IAO_0000116 "This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created."@en ; + rdfs:label "term split"@en . -### http://purl.obolibrary.org/obo/OBI_0002755 -obo:OBI_0002755 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Oxford Nanopore Technologies" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An organization that is developing and selling nanopore sequencing products and is based in the UK." ; - obo:IAO_0000117 "James A. Overton" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Oxford_Nanopore_Technologies" ; - rdfs:label "Oxford Nanopore Technologies" . +### http://purl.obolibrary.org/obo/IAO_0000410 +obo:IAO_0000410 rdf:type owl:NamedIndividual , + obo:IAO_0000409 ; + obo:IAO_0000111 "universal"@en ; + obo:IAO_0000116 "Hard to give a definition for. Intuitively a \"natural kind\" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf"@en ; + rdfs:label "universal"@en . -### http://purl.obolibrary.org/obo/OBI_0002903 -obo:OBI_0002903 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "BioGents" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An organization that manufactures mosquito traps and other mosquito control products." ; - obo:IAO_0000117 "John Judkins" ; - obo:IAO_0000119 "WEB:https://eu.biogents.com/about-biogents/" ; - rdfs:label "BioGents" . +### http://purl.obolibrary.org/obo/IAO_0000420 +obo:IAO_0000420 rdf:type owl:NamedIndividual , + obo:IAO_0000409 ; + obo:IAO_0000111 "defined class"@en ; + obo:IAO_0000115 "A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal"@en ; + obo:IAO_0000116 "\"definitions\", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + rdfs:label "defined class"@en . -### http://purl.obolibrary.org/obo/OBI_0003495 -obo:OBI_0003495 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Abbott" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A manufacturer of rapid point-of-care assay devices." ; - obo:IAO_0000117 "John Judkins ORCID:0000-0001-6595-0902" ; - obo:IAO_0000119 "WEB:https://www.globalpointofcare.abbott/en/about.html" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1456" ; - rdfs:label "Abbott" . +### http://purl.obolibrary.org/obo/IAO_0000421 +obo:IAO_0000421 rdf:type owl:NamedIndividual , + obo:IAO_0000409 ; + obo:IAO_0000111 "named class expression"@en ; + obo:IAO_0000115 "A named class expression is a logical expression that is given a name. The name can be used in place of the expression."@en ; + obo:IAO_0000116 "named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions"@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + rdfs:label "named class expression"@en . -### http://purl.obolibrary.org/obo/OBI_0003496 -obo:OBI_0003496 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "J. Mitra" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A manufacturer of in vitro diagnostic assay kits in India." ; - obo:IAO_0000117 "John Judkins ORCID:0000-0001-6595-0902" ; - obo:IAO_0000119 "WEB:https://jmitra.co.in/about-us/" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1456" ; - rdfs:label "J. Mitra" . +### http://purl.obolibrary.org/obo/IAO_0000423 +obo:IAO_0000423 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "to be replaced with external ontology term"@en ; + obo:IAO_0000115 "Terms with this status should eventually replaced with a term from another ontology."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "group:OBI"@en ; + rdfs:label "to be replaced with external ontology term"@en . -### http://purl.obolibrary.org/obo/OBI_0003497 -obo:OBI_0003497 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "InBios" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A manufacturer that specializes in in vitro diagnostic devices designed to test for infectious diseases." ; - obo:IAO_0000117 "John Judkins ORCID:0000-0001-6595-0902" ; - obo:IAO_0000119 "WEB:https://inbios.com/about/" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1456" ; - rdfs:label "InBios" . +### http://purl.obolibrary.org/obo/IAO_0000428 +obo:IAO_0000428 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "requires discussion"@en ; + obo:IAO_0000115 "A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "group:OBI"@en ; + rdfs:label "requires discussion"@en . ### http://purl.obolibrary.org/obo/OMO_0001000 @@ -8323,29 +29119,14 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , # General axioms ################################################################# -[ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002566 ; - owl:someValuesFrom obo:BFO_0000040 ; - rdfs:subClassOf [ rdf:type owl:Class ; - owl:unionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000056 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002418 ; - owl:someValuesFrom obo:BFO_0000015 - ] - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002215 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000056 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002418 ; - owl:someValuesFrom obo:BFO_0000015 - ] - ] - ] - ) - ] +[ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_228364 + ] + ) ; + rdf:type owl:Class ; + rdfs:subClassOf ] . @@ -8371,803 +29152,4 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , ] . -################################################################# -# Rules -################################################################# - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002180 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000015 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000015 ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002018 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000016 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000091 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000019 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000086 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000023 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000087 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000034 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000085 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ swrla:isRuleEnabled "true"^^xsd:boolean ; - rdfs:comment "MF(X)-directly_regulates->MF(Y)-enabled_by->GP(Z) => MF(Y)-has_input->GP(Y) e.g. if 'protein kinase activity'(X) directly_regulates 'protein binding activity (Y)and this is enabled by GP(Z) then X has_input Z" ; - rdfs:label "infer input from direct reg" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0003674 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0003674 ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment """GP(X)-enables->MF(Y)-has_part->MF(Z) => GP(X) enables MF(Z), -e.g. if GP X enables ATPase coupled transporter activity' and 'ATPase coupled transporter activity' has_part 'ATPase activity' then GP(X) enables 'ATPase activity'""" ; - rdfs:label "enabling an MF enables its parts" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0003674 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:BFO_0000051 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ swrla:isRuleEnabled "true"^^xsd:boolean ; - rdfs:comment "GP(X)-enables->MF(Y)-part_of->BP(Z) => GP(X) involved_in BP(Z) e.g. if X enables 'protein kinase activity' and Y 'part of' 'signal tranduction' then X involved in 'signal transduction'" ; - rdfs:label "involved in BP" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0008150 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:BFO_0000050 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002331 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0016301 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002447 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment "If a molecular function (X) has a regulatory subfunction, then any gene product which is an input to that subfunction has an activity that directly_regulates X. Note: this is intended for cases where the regaultory subfunction is protein binding, so it could be tightened with an additional clause to specify this." ; - rdfs:label "inferring direct reg edge from input to regulatory subfunction" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002352 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002013 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "inferring direct neg reg edge from input to regulatory subfunction" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002352 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002014 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002630 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "inferring direct positive reg edge from input to regulatory subfunction" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002352 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002015 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002629 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "effector input is compound function input" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "Input of effector is input of its parent MF" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment "if effector directly regulates X, its parent MF directly regulates X" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment "if effector directly positively regulates X, its parent MF directly positively regulates X" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002629 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002629 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "if effector directly negatively regulates X, its parent MF directly negatively regulates X" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002630 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002630 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "'causally downstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties)." ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002404 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002131 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] . - -[ rdfs:label "'causally upstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties)." ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002131 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0012011 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002211 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0012012 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002213 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002213 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0019002 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0019001 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002264 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002263 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0012011 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -### Generated by the OWL API (version 4.5.26) https://github.com/owlcs/owlapi +### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV.obo b/nmrCV.obo index adf0d89..486a030 100644 --- a/nmrCV.obo +++ b/nmrCV.obo @@ -1,11 +1,14 @@ format-version: 1.2 -data-version: releases/2023-11-23 +data-version: http://nmrML.org/nmrCV/releases/2025-02-18/nmrCV.owl +subsetdef: 2_STAR "" +subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_gp2term "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_ontology "" subsetdef: http://purl.obolibrary.org/obo/valid_for_gocam "" subsetdef: ro-eco "" -subsetdef: RO:0002259 "" +synonymtypedef: BRAND_NAME "" +synonymtypedef: IUPAC_NAME "" synonymtypedef: OMO:0003000 "abbreviation" synonymtypedef: OMO:0003001 "ambiguous synonym" synonymtypedef: OMO:0003002 "dubious synonym" @@ -19,11 +22,37 @@ synonymtypedef: OMO:0003009 "legal name" synonymtypedef: OMO:0003010 "International Nonproprietary Name" synonymtypedef: OMO:0003011 "latin term" synonymtypedef: OMO:0003012 "acronym" -ontology: nmrCV -property_value: http://purl.org/dc/terms/description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string -property_value: http://purl.org/dc/terms/license https://creativecommons.org/publicdomain/mark/1.0/ -property_value: http://purl.org/dc/terms/title "nuclear magnetic resonance CV" xsd:string -property_value: owl:versionInfo "2023-11-23" xsd:string +idspace: dce http://purl.org/dc/elements/1.1/ +idspace: dcterms http://purl.org/dc/terms/ +idspace: doap http://usefulinc.com/ns/doap# +idspace: foaf http://xmlns.com/foaf/0.1/ +idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# +idspace: protege http://protege.stanford.edu/plugins/owl/protege# +idspace: skos http://www.w3.org/2004/02/skos/core# +ontology: http://nmrML.org/nmrCV.owl +property_value: dce:contributor "Annick Moing" xsd:string +property_value: dce:contributor "Catherine Deborde" xsd:string +property_value: dce:contributor "Daniel Jacob" xsd:string +property_value: dce:contributor "Daniel Schober" xsd:string +property_value: dce:contributor "Joseph Cruz" xsd:string +property_value: dce:contributor "Michael Wilson" xsd:string +property_value: dce:contributor "Philippe Rocca-Serra" xsd:string +property_value: dce:contributor "Reza Salek" xsd:string +property_value: dce:contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times.\n\nPeople involved in the term creation from ID >1400000 :\n\nThis part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net):\n\nDaniel Schober (EBI)\nChris Taylor (EBI and HUPO-PSI)\nDennis Rubtsov (Un of Cambridge, UK)\nHelen Jenkins (Un of Wales, Aberystwyth, UK)\nIrena Spasic (Center for Integrative Systems Biology, Manchester, UK)\nLarissa Soldatova (University of Wales, Aberystwyth, UK)\nPhilippe Rocca-Serra (EBI and MGED Society)\nSusanna-Assunta Sansone (EBI)\n\nPeople involved in the term creation from ID<1400000:\n\nJoseph Cruz\nDaniel Schober\nMichael Wilson\nReza Salek\nDaniel Jacob\nDavid Wishart\n\nTerms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. \n\nOther people that substantially helped in revising the latest and Cosmos governed CV additions were:\n\nMichael Wilson, Wishart Group, Edmonton, Alberta, Canada\nDaniel Jacob, INRA, Bordeaux, France\nAnnick Moing, INRA, Bordeaux, France\nCatherine Deborde, INRA, Bordeaux, France\nReza Salek, EBI, Hinxton, UK\nPhilippe Rocca-Serra, University of Oxford, Oxford, UK\nAndrea Porzel, IPB-Halle, Germany\nand the COSMOS WP2 team\n\nA paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title\n`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen" xsd:string +property_value: dce:contributor "Steffen Neumann" xsd:string +property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string +property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ +property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string +property_value: doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues" xsd:string +property_value: doap:documenter "Daniel Schober" xsd:string +property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string +property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string +property_value: doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" xsd:string +property_value: doap:maintainer "https://www.wikidata.org/wiki/Q96678459" xsd:string +property_value: owl:versionInfo "2.0_alpha" xsd:string +property_value: owl:versionInfo "2025-02-18" xsd:string [Term] id: BFO:0000001 @@ -42,10 +71,8 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant -def: "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts." [] is_a: BFO:0000001 ! entity disjoint_from: BFO:0000003 ! occurrent -relationship: BFO:0000050 BFO:0000002 {all_only="true"} ! part of continuant property_value: BFO:0000179 "continuant" xsd:string property_value: BFO:0000180 "Continuant" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240" xsd:string @@ -63,9 +90,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent -def: "An entity that has temporal parts and that happens, unfolds or develops through time." [] is_a: BFO:0000001 ! entity -relationship: BFO:0000050 BFO:0000003 {all_only="true"} ! part of occurrent property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string property_value: IAO:0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region" xsd:string @@ -83,11 +108,9 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000004 name: independent continuant def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} -comment: A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000031 ! generically dependent continuant -relationship: BFO:0000050 BFO:0000004 {all_only="true"} ! part of independent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string property_value: IAO:0000112 "a chair" xsd:string @@ -180,7 +203,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000015 name: process def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} -comment: An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string @@ -216,10 +238,8 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity -def: "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances." [] is_a: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000019 ! quality -relationship: BFO:0000050 BFO:0000017 {all_only="true"} ! part of realizable entity property_value: BFO:0000179 "realizable" xsd:string property_value: BFO:0000180 "RealizableEntity" xsd:string property_value: IAO:0000112 "the disposition of this piece of metal to conduct electricity." xsd:string @@ -248,7 +268,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000019 name: quality is_a: BFO:0000020 ! specifically dependent continuant -relationship: BFO:0000050 BFO:0000019 {all_only="true"} ! part of quality property_value: BFO:0000179 "quality" xsd:string property_value: BFO:0000180 "Quality" xsd:string property_value: IAO:0000112 "the ambient temperature of this portion of air" xsd:string @@ -267,10 +286,8 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000020 name: specifically dependent continuant def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} -comment: A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000031 ! generically dependent continuant -relationship: BFO:0000050 BFO:0000020 {all_only="true"} ! part of specifically dependent continuant property_value: BFO:0000179 "sdc" xsd:string property_value: BFO:0000180 "SpecificallyDependentContinuant" xsd:string property_value: IAO:0000112 "of one-sided specifically dependent continuants: the mass of this tomato" xsd:string @@ -291,7 +308,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000023 name: role -def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "role" xsd:string property_value: BFO:0000180 "Role" xsd:string @@ -482,7 +498,6 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity -def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant disjoint_from: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "material" xsd:string @@ -628,7 +643,4449 @@ property_value: IAO:0000600 "A history is a process that is the sum of the total property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] -id: GO:0016301 +id: CHEBI:139358 +name: isotopically modified compound +namespace: chebi_ontology +def: "Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s)." [] +subset: 3_STAR +synonym: "isotopically modified compounds" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:156265 +name: methanol-d4 +namespace: chebi_ontology +def: "A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy." [] +subset: 3_STAR +synonym: "((2)H3)methan((2)H)ol" EXACT IUPAC_NAME [IUPAC] +synonym: "((2)H4)methanol" RELATED [ChemIDplus] +synonym: "CD3OD" RELATED [ChEBI] +synonym: "methan-d3-ol-d" RELATED [ChemIDplus] +synonym: "methyl alcohol-d4" RELATED [ChEBI] +synonym: "methyl-d3 alcohol d" RELATED [ChEBI] +synonym: "tetradeuteromethanol" RELATED [NIST_Chemistry_WebBook] +synonym: "trideuterio deuteriooxy methane" RELATED [ChEBI] +xref: CAS:811-98-3 {source="NIST Chemistry WebBook"} +xref: CAS:811-98-3 {source="ChemIDplus"} +xref: PMID:19680377 {source="Europe PMC"} +xref: PMID:22819978 {source="Europe PMC"} +xref: PMID:28219117 {source="Europe PMC"} +xref: PMID:31837670 {source="Europe PMC"} +xref: Reaxys:1733278 {source="Reaxys"} +xref: Wikipedia:Deuterated_methanol +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD4O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKKJLVBELUTLKV-MZCSYVLQSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "36.066" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "36.05132" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]OC([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:16134 +name: ammonia +namespace: chebi_ontology +alt_id: CHEBI:13405 +alt_id: CHEBI:13406 +alt_id: CHEBI:13407 +alt_id: CHEBI:13771 +alt_id: CHEBI:22533 +alt_id: CHEBI:44269 +alt_id: CHEBI:44284 +alt_id: CHEBI:44404 +alt_id: CHEBI:7434 +def: "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." [] +subset: 3_STAR +synonym: "[NH3]" RELATED [MolBase] +synonym: "AMMONIA" EXACT [PDBeChem] +synonym: "Ammonia" EXACT [KEGG_COMPOUND] +synonym: "ammonia" EXACT IUPAC_NAME [IUPAC] +synonym: "ammoniac" RELATED [ChEBI] +synonym: "Ammoniak" RELATED [ChemIDplus] +synonym: "amoniaco" RELATED [ChEBI] +synonym: "azane" EXACT IUPAC_NAME [IUPAC] +synonym: "NH3" RELATED [KEGG_COMPOUND] +synonym: "NH3" RELATED [IUPAC] +synonym: "R-717" RELATED [ChEBI] +synonym: "spirit of hartshorn" RELATED [ChemIDplus] +xref: CAS:7664-41-7 {source="ChemIDplus"} +xref: CAS:7664-41-7 {source="NIST Chemistry WebBook"} +xref: CAS:7664-41-7 {source="KEGG COMPOUND"} +xref: Drug_Central:4625 {source="DrugCentral"} +xref: Gmelin:79 {source="Gmelin"} +xref: HMDB:HMDB0000051 +xref: KEGG:C00014 +xref: KEGG:D02916 +xref: KNApSAcK:C00007267 +xref: MetaCyc:AMMONIA +xref: MolBase:930 +xref: PDBeChem:NH3 +xref: PMID:110589 {source="Europe PMC"} +xref: PMID:11139349 {source="Europe PMC"} +xref: PMID:11540049 {source="Europe PMC"} +xref: PMID:11746427 {source="Europe PMC"} +xref: PMID:11783653 {source="Europe PMC"} +xref: PMID:13753780 {source="Europe PMC"} +xref: PMID:14663195 {source="Europe PMC"} +xref: PMID:15092448 {source="Europe PMC"} +xref: PMID:15094021 {source="Europe PMC"} +xref: PMID:15554424 {source="Europe PMC"} +xref: PMID:15969015 {source="Europe PMC"} +xref: PMID:16008360 {source="Europe PMC"} +xref: PMID:16050680 {source="Europe PMC"} +xref: PMID:16348008 {source="Europe PMC"} +xref: PMID:16349403 {source="Europe PMC"} +xref: PMID:16614889 {source="Europe PMC"} +xref: PMID:16664306 {source="Europe PMC"} +xref: PMID:16842901 {source="Europe PMC"} +xref: PMID:17025297 {source="Europe PMC"} +xref: PMID:17439666 {source="Europe PMC"} +xref: PMID:17569513 {source="Europe PMC"} +xref: PMID:17737668 {source="Europe PMC"} +xref: PMID:18670398 {source="Europe PMC"} +xref: PMID:22002069 {source="Europe PMC"} +xref: PMID:22081570 {source="Europe PMC"} +xref: PMID:22088435 {source="Europe PMC"} +xref: PMID:22100291 {source="Europe PMC"} +xref: PMID:22130175 {source="Europe PMC"} +xref: PMID:22150211 {source="Europe PMC"} +xref: PMID:22240068 {source="Europe PMC"} +xref: PMID:22290316 {source="Europe PMC"} +xref: PMID:22342082 {source="Europe PMC"} +xref: PMID:22385337 {source="Europe PMC"} +xref: PMID:22443779 {source="Europe PMC"} +xref: PMID:22560242 {source="Europe PMC"} +xref: Reaxys:3587154 {source="Reaxys"} +xref: Wikipedia:Ammonia +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000036 ! 15N spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H3N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N/h1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "17.03056" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "17.02655" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]N([H])[H]" xsd:string + +[Term] +id: CHEBI:16227 +name: pyridine +namespace: chebi_ontology +alt_id: CHEBI:14974 +alt_id: CHEBI:26415 +alt_id: CHEBI:8662 +def: "An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines." [] +subset: 3_STAR +synonym: "Azabenzene" RELATED [KEGG_COMPOUND] +synonym: "py" RELATED [IUPAC] +synonym: "Pyridine" EXACT [KEGG_COMPOUND] +synonym: "pyridine" EXACT [UniProt] +synonym: "pyridine" EXACT IUPAC_NAME [IUPAC] +xref: CAS:110-86-1 {source="ChemIDplus"} +xref: CAS:110-86-1 {source="KEGG COMPOUND"} +xref: CAS:110-86-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:1996 {source="Gmelin"} +xref: HMDB:HMDB0000926 +xref: KEGG:C00747 +xref: PDBeChem:0PY +xref: PMID:24364496 {source="Europe PMC"} +xref: PMID:24425539 {source="Europe PMC"} +xref: PMID:8070089 {source="Europe PMC"} +xref: Reaxys:103233 {source="Reaxys"} +xref: Wikipedia:Pyridine +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:35568 ! mancude ring +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H5N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "79.09990" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.04220" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "c1ccncc1" xsd:string + +[Term] +id: CHEBI:176566 +name: calcium-43 atom +namespace: chebi_ontology +def: "A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance." [] +subset: 3_STAR +synonym: "((43)Ca)calcium" EXACT IUPAC_NAME [IUPAC] +synonym: "(43)20Ca" RELATED [ChEBI] +synonym: "(43)Ca" RELATED [ChemIDplus] +synonym: "(43)calcium" RELATED [ChEBI] +synonym: "Ca-43" RELATED [ChEBI] +synonym: "calcium, isotope of mass 43" RELATED [ChemIDplus] +synonym: "calcium-43" RELATED [ChemIDplus] +synonym: "calcium-43 isotope" RELATED [ChEBI] +xref: CAS:14333-06-3 {source="ChemIDplus"} +xref: PMID:11859764 {source="Europe PMC"} +xref: PMID:19117733 {source="Europe PMC"} +xref: PMID:20463996 {source="Europe PMC"} +xref: PMID:20574585 {source="Europe PMC"} +xref: PMID:23163540 {source="Europe PMC"} +xref: PMID:23398971 {source="Europe PMC"} +xref: PMID:24874995 {source="Europe PMC"} +xref: PMID:25306191 {source="Europe PMC"} +xref: PMID:29770988 {source="Europe PMC"} +xref: PMID:6548252 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[43Ca]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca/i1+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYPRJOBELJOOCE-AKLPVKDBSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "42.959" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "42.95877" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[43Ca]" xsd:string + +[Term] +id: CHEBI:176572 +name: rubidium-85 atom +namespace: chebi_ontology +def: "A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "((85)Rb)rubidium" EXACT IUPAC_NAME [IUPAC] +synonym: "(85)37Rb" RELATED [ChEBI] +synonym: "(85)Rb" RELATED [ChemIDplus] +synonym: "Rb-85" RELATED [ChEBI] +synonym: "rubidium, isotope of mass 85" RELATED [ChemIDplus] +synonym: "rubidium-85" RELATED [ChemIDplus] +xref: CAS:13982-12-2 {source="ChemIDplus"} +xref: PMID:18026483 {source="Europe PMC"} +xref: PMID:18033464 {source="Europe PMC"} +xref: PMID:18291893 {source="Europe PMC"} +xref: PMID:18382518 {source="Europe PMC"} +xref: PMID:19855587 {source="Europe PMC"} +xref: PMID:25087142 {source="SUBMITTER"} +xref: PMID:32909800 {source="Europe PMC"} +xref: PMID:33709729 {source="Europe PMC"} +xref: PMID:34170158 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[85Rb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rb/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGLNJRXAVVLDKE-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.912" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.91179" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[85Rb]" xsd:string + +[Term] +id: CHEBI:176578 +name: cobalt-59 atom +namespace: chebi_ontology +def: "A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "((59)Co)cobalt" EXACT IUPAC_NAME [IUPAC] +synonym: "(59)27Co" RELATED [ChEBI] +synonym: "(59)Co" RELATED [ChEBI] +synonym: "Co-59" RELATED [ChEBI] +synonym: "cobalt, isotope of mass 59" RELATED [ChEBI] +synonym: "cobalt-(59)Co" RELATED [ChEBI] +synonym: "cobalt-59" RELATED [ChEBI] +xref: PMID:10617436 {source="Europe PMC"} +xref: PMID:10940985 {source="Europe PMC"} +xref: PMID:11421673 {source="Europe PMC"} +xref: PMID:11528329 {source="SUBMITTER"} +xref: PMID:12943912 {source="Europe PMC"} +xref: PMID:19150229 {source="Europe PMC"} +xref: PMID:19421527 {source="Europe PMC"} +xref: PMID:25069794 {source="Europe PMC"} +xref: PMID:25169133 {source="Europe PMC"} +xref: PMID:26066447 {source="Europe PMC"} +xref: PMID:26641288 {source="Europe PMC"} +xref: PMID:27355901 {source="Europe PMC"} +xref: PMID:30137661 {source="Europe PMC"} +xref: PMID:31367328 {source="Europe PMC"} +xref: PMID:32478347 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[59Co]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Co/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUTLYIVDDKVIGB-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "58.933" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.93319" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[59Co]" xsd:string + +[Term] +id: CHEBI:176583 +name: manganese-55 atom +namespace: chebi_ontology +def: "A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "((55)Mn)manganese" EXACT IUPAC_NAME [IUPAC] +synonym: "(55)25Mn" RELATED [ChEBI] +synonym: "(55)Mn" RELATED [ChEBI] +synonym: "manganese, isotope of mass 55" RELATED [ChEBI] +synonym: "manganese-55" RELATED [ChEBI] +synonym: "Mn-55" RELATED [ChEBI] +xref: PMID:20645339 {source="Europe PMC"} +xref: PMID:21058720 {source="Europe PMC"} +xref: PMID:21341708 {source="Europe PMC"} +xref: PMID:24993844 {source="Europe PMC"} +xref: PMID:25179135 {source="Europe PMC"} +xref: PMID:25891681 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[55Mn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mn/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWHULOQIROXLJO-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "54.938" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.93804" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[55Mn]" xsd:string + +[Term] +id: CHEBI:176584 +name: arsenic-75 atom +namespace: chebi_ontology +def: "A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "((75)As)arsenic" EXACT IUPAC_NAME [IUPAC] +synonym: "(75)33As" RELATED [ChEBI] +synonym: "(75)As" RELATED [ChEBI] +synonym: "arsenic, isotope of mass 75" RELATED [ChEBI] +synonym: "arsenic-75" RELATED [ChEBI] +synonym: "As-75" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[75As]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/As/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RQNWIZPPADIBDY-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "74.922" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.92159" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[75As]" xsd:string + +[Term] +id: CHEBI:183318 +name: triphenylphosphine +namespace: chebi_ontology +def: "A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups." [] +subset: 3_STAR +synonym: "Ph3P" RELATED [ChEBI] +synonym: "phosphorus triphenyl" RELATED [NIST_Chemistry_WebBook] +synonym: "PP 360" RELATED [ChemIDplus] +synonym: "PPh3" RELATED [ChEBI] +synonym: "TPP" RELATED [ChEBI] +synonym: "triphenyl phosphine" RELATED [ChemIDplus] +synonym: "Triphenylphosphan" RELATED [SUBMITTER] +synonym: "triphenylphosphane" EXACT IUPAC_NAME [IUPAC] +synonym: "triphenylphosphide" RELATED [ChemIDplus] +synonym: "Triphenylphosphin" RELATED [SUBMITTER] +synonym: "triphenylphosphorus" RELATED [ChemIDplus] +xref: CAS:603-35-0 {source="NIST Chemistry WebBook"} +xref: CAS:603-35-0 {source="ChemIDplus"} +xref: Chemspider:11283 +xref: HMDB:HMDB0259265 +xref: PMCID:PMC8513919 {source="Europe PMC"} +xref: PMID:2531144 {source="Europe PMC"} +xref: PMID:31948233 {source="Europe PMC"} +xref: PMID:32124602 {source="Europe PMC"} +xref: PMID:32259335 {source="Europe PMC"} +xref: PMID:34260204 {source="Europe PMC"} +xref: PMID:34338057 {source="Europe PMC"} +xref: Reaxys:610776 {source="Reaxys"} +xref: Wikipedia:Triphenylphosphine +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H15P" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RIOQSEWOXXDEQQ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "262.292" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "262.09114" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1" xsd:string + +[Term] +id: CHEBI:193038 +name: acetonitrile-d3 +namespace: chebi_ontology +subset: 2_STAR +synonym: "2,2,2-trideuterioacetonitrile" EXACT IUPAC_NAME [SUBMITTER] +synonym: "Acetonitril-d3" RELATED [SUBMITTER] +synonym: "CD3CN" RELATED [SUBMITTER] +synonym: "methyl-d3 cyanide" RELATED [SUBMITTER] +xref: CAS:2206-26-0 {source="SUBMITTER"} +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D3N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N/c1-2-3/h1H3/i1D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WEVYAHXRMPXWCK-FIBGUPNXSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "44.071" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.04538" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#CC([H])([H])[H]" xsd:string + +[Term] +id: CHEBI:193039 +name: benzene-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "((2)H6)benzene" EXACT IUPAC_NAME [IUPAC] +synonym: "1,2,3,4,5,6-hexadeuteriobenzene" RELATED [IUPAC] +synonym: "benzene-1,2,3,4,5,6-d6" RELATED [ChemIDplus] +synonym: "Benzol-d6" RELATED [SUBMITTER] +synonym: "hexadeuterobenzene" RELATED [SUBMITTER] +synonym: "perdeuterobenzene" RELATED [SUBMITTER] +xref: CAS:1076-43-3 {source="ChemIDplus"} +xref: CAS:1076-43-3 {source="NIST Chemistry WebBook"} +xref: Wikipedia:Deuterated_benzene +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6D6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHOVQNZJYSORNB-MZWXYZOWSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.151" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.08461" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193040 +name: N,N-dimethylformamide-d7 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1-deuterio-N,N-bis(trideuteriomethyl)formamide" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated DMF" RELATED [SUBMITTER] +synonym: "DMF-d7" RELATED [SUBMITTER] +synonym: "heptadeutero-N,N-dimethylformamide" RELATED [SUBMITTER] +xref: CAS:4472-41-7 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_DMF {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3D7NO" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZMXDDKWLCZADIW-YYWVXINBSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "80.138" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.09670" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193041 +name: dimethyl sulfoxide-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "deuterated DMSO" RELATED [SUBMITTER] +synonym: "DMSO-d6" RELATED [SUBMITTER] +synonym: "hexadeuterodimethyl sulfoxide" RELATED [SUBMITTER] +synonym: "trideuterio(trideuteriomethylsulfinyl)methane" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:2206-27-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_DMSO {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D6OS" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAZDPXIOMUYVGZ-WFGJKAKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.170" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.05160" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:193042 +name: dichloromethane-d2 +namespace: chebi_ontology +subset: 2_STAR +synonym: "dichloro(dideuterio)methane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "methylene chloride-d2" RELATED [SUBMITTER] +xref: CAS:1665-00-5 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_dichloromethane {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD2Cl2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMWUJEATGCHHMB-DICFDUPASA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "86.940" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "85.96591" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)([H])[H]" xsd:string + +[Term] +id: CHEBI:193043 +name: ethanol-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,1,1,2,2-pentadeuterio-2-deuteriooxyethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated ethanol" RELATED [SUBMITTER] +synonym: "ethyl-d5 alcohol-d" RELATED [SUBMITTER] +synonym: "hexadeuteroethanol" RELATED [SUBMITTER] +xref: CAS:1516-08-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_ethanol {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LFQSCWFLJHTTHZ-LIDOUZCJSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "52.106" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "52.07953" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(C([H])([H])[H])([H])[H])[H]" xsd:string + +[Term] +id: CHEBI:193044 +name: nitrobenzene-d5 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,2,3,4,5-pentadeuterio-6-nitrobenzene" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:4165-60-0 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6D5NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LQNUZADURLCDLV-RALIUCGRSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "128.142" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.06341" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193045 +name: nitromethane-d3 +namespace: chebi_ontology +subset: 2_STAR +synonym: "deuterated nitromethane" RELATED [SUBMITTER] +synonym: "nitro(2H3)methane" RELATED [SUBMITTER] +synonym: "trideuterio(nitro)methane" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:13031-32-8 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD3NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LYGJENNIWJXYER-FIBGUPNXSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.058" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.03521" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-][N+](=O)C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:193046 +name: pyridine-d5 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(2H5)pyridine" RELATED [SUBMITTER] +synonym: "2,3,4,5,6-pentadeuteriopyridine" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated pyridine" RELATED [SUBMITTER] +xref: CAS:7291-22-7 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:35568 ! mancude ring +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5D5N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JUJWROOIHBZHMG-RALIUCGRSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.133" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.07358" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "N1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193047 +name: oxolane-d8 +namespace: chebi_ontology +subset: 2_STAR +synonym: "2,2,3,3,4,4,5,5-octadeuteriooxolane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterated THF" RELATED [SUBMITTER] +synonym: "tetrahydrofuran-d8" RELATED [SUBMITTER] +synonym: "THF-d8" RELATED [SUBMITTER] +xref: CAS:1693-74-9 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Deuterated_THF {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4D8O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WYURNTSHIVDZCO-SVYQBANQSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "80.156" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "80.10773" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C(C(C(C1([H])[H])([H])[H])([H])[H])([H])[H]" xsd:string + +[Term] +id: CHEBI:193048 +name: toluene-d8 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene" EXACT IUPAC_NAME [SUBMITTER] +synonym: "octadeuterotoluene" RELATED [SUBMITTER] +synonym: "perdeuterated toluene" RELATED [SUBMITTER] +synonym: "perdeuteriotoluene" RELATED [SUBMITTER] +xref: CAS:2037-26-5 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C7D8" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YXFVVABEGXRONW-JGUCLWPXSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "100.190" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.11281" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:193049 +name: acetic acid-d4 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(2H3)acetic (2H)acid" RELATED [SUBMITTER] +synonym: "CD3COOD" RELATED [SUBMITTER] +synonym: "deuterated acetic acid" RELATED [SUBMITTER] +synonym: "deuterio 2,2,2-trideuterioacetate" EXACT IUPAC_NAME [SUBMITTER] +synonym: "tetradeuteroacetic acid" RELATED [SUBMITTER] +xref: CAS:1186-52-3 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D4O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-GUEYOVJQSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.076" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.04624" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(=O)C([2H])([2H])[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193050 +name: trifluoroacetic acid-d1 +namespace: chebi_ontology +subset: 2_STAR +synonym: "CF3COOD" RELATED [SUBMITTER] +synonym: "deuterated trifluoroacetic acid" RELATED [SUBMITTER] +synonym: "deuterio 2,2,2-trifluoroacetate" EXACT IUPAC_NAME [SUBMITTER] +synonym: "deuterotrifluoroacetic acid" RELATED [SUBMITTER] +synonym: "TFA-d" RELATED [SUBMITTER] +synonym: "trifluoroacetic acid-d" RELATED [SUBMITTER] +xref: CAS:599-00-8 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2DF3O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DTQVDTLACAAQTR-DYCDLGHISA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "115.029" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.99914" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(O[2H])=O" xsd:string + +[Term] +id: CHEBI:193131 +name: 1,1,2-Trichlorotrifluoroethane +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,1,2-trichloro-1,2,2-trifluoroethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "CFC-113" RELATED [SUBMITTER] +synonym: "Freon 113" RELATED [SUBMITTER] +xref: CAS:76-13-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/1\,1\,2-Trichloro-1\,2\,2-trifluoroethane {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Cl3F3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AJDIZQLSFPQPEY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "187.370" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.90177" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(Cl)(F)F)(F)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:193132 +name: formic acid-d2 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(2H)formic (2)acid" RELATED [SUBMITTER] +synonym: "DCOOD" RELATED [SUBMITTER] +synonym: "deuterio deuterioformate" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:920-42-3 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CD2O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDAGIHXWWSANSR-PFUFQJKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "48.037" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "48.01803" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(=O)[2H])[2H]" xsd:string + +[Term] +id: CHEBI:193133 +name: methanol-d1 +namespace: chebi_ontology +subset: 2_STAR +synonym: "deuteriooxymethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "methyl alcohol-d1" RELATED [SUBMITTER] +synonym: "mono-deuteromethanol" RELATED [SUBMITTER] +xref: CAS:1455-13-6 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3DO" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKKJLVBELUTLKV-VMNATFBRSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "33.048" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "33.03249" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C([H])([H])[H])[H]" xsd:string + +[Term] +id: CHEBI:193134 +name: 1,1,2,2-tetrachlorethane-d2 +namespace: chebi_ontology +subset: 2_STAR +synonym: "1,1,2,2-tetrachloro-1,2-dideuterioethane" EXACT IUPAC_NAME [SUBMITTER] +synonym: "TCE-d2" RELATED [SUBMITTER] +xref: CAS:33685-54-0 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D2Cl4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPFMBZIOSGYJDE-QDNHWIQGSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "169.850" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "167.90361" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "ClC(Cl)(C(Cl)(Cl)[H])[H]" xsd:string + +[Term] +id: CHEBI:193135 +name: dimethyl ether-d6 +namespace: chebi_ontology +subset: 2_STAR +synonym: "(CD3)2O" RELATED [SUBMITTER] +synonym: "dimethyl-d6 ether" RELATED [SUBMITTER] +synonym: "trideuterio(trideuteriomethoxy)methane" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:17222-37-6 {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2D6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCGLNKUTAGEVQW-WFGJKAKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "52.106" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "52.07953" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C([H])([H])[H])C([H])([H])[H]" xsd:string + +[Term] +id: CHEBI:193136 +name: fluorosulfonic acid +namespace: chebi_ontology +subset: 2_STAR +synonym: "fluorosulfuric acid" RELATED [SUBMITTER] +synonym: "monofluorosulfuric acid" RELATED [SUBMITTER] +synonym: "perfluorosulfonic acid" RELATED [SUBMITTER] +synonym: "sulfurofluoridic acid" EXACT IUPAC_NAME [SUBMITTER] +xref: CAS:7789-21-1 {source="SUBMITTER"} +xref: Wikipedia:https\://en.wikipedia.org/wiki/Fluorosulfuric_acid {source="SUBMITTER"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "FHO3S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UQSQSQZYBQSBJZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "100.060" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.96304" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "S(=O)(F)(=O)O" xsd:string + +[Term] +id: CHEBI:193146 +name: antimony pentafluoride +namespace: chebi_ontology +subset: 2_STAR +synonym: "Antimon(V)-fluorid" RELATED [SUBMITTER] +synonym: "antimony(V) fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "pentafluoridoantimony" RELATED [SUBMITTER] +xref: CAS:7783-70-2 {source="ChemIDplus"} +xref: CAS:7783-70-2 {source="NIST Chemistry WebBook"} +xref: PMID:1113327 {source="Europe PMC"} +xref: Wikipedia:Antimony_pentafluoride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F5Sb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBVBHWZYQGJZLR-UHFFFAOYSA-I" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "216.752" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "215.89583" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sb](F)(F)(F)(F)F" xsd:string + +[Term] +id: CHEBI:193148 +name: bromine pentafluoride +namespace: chebi_ontology +subset: 2_STAR +xref: CAS:7789-30-2 {source="ChemIDplus"} +xref: CAS:7789-30-2 {source="NIST Chemistry WebBook"} +xref: Chemspider:23008 +xref: Wikipedia:Bromine_pentafluoride +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BrF5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrF5/c2-1(3,4,5)6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XHVUVQAANZKEKF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "174.896" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.91035" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Br(F)(F)(F)(F)F" xsd:string + +[Term] +id: CHEBI:195173 +name: 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) +namespace: chebi_ontology +subset: 2_STAR +synonym: "sodium;3-trimethylsilylpropane-1-sulonate" EXACT IUPAC_NAME [IUPAC] +xref: Chemspider:67436 +xref: KEGG:D84158 +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1400033 {is_inferred="true"} ! chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15O3SSi.Na" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HWEXKRHYVOGVDA-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "218.320" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "218.04089" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+]" xsd:string + +[Term] +id: CHEBI:197449 +name: NMR solvent +namespace: chebi_ontology +def: "A solvent used in nuclear magnetic resonance (NMR) spectroscopy." [] +subset: 3_STAR +synonym: "NMR solvents" RELATED [SUBMITTER] +synonym: "NMR-Loesemittel" RELATED [SUBMITTER] +synonym: "NMR-Loesungsmittel" RELATED [SUBMITTER] +is_a: CHEBI:33232 ! application +is_a: CHEBI:51086 ! chemical role + +[Term] +id: CHEBI:228364 +name: NMR chemical shift reference compound +namespace: chebi_ontology +def: "Any compound that produces a peak used as reference frequency in the delta chemical shift scale." [] +subset: 3_STAR +synonym: "NMR chemical shift reference compounds" RELATED [ChEBI] +synonym: "NMR chemical shift standard" RELATED [ChEBI] +synonym: "NMR chemical shift standards" RELATED [ChEBI] +synonym: "NMR internal standard" RELATED [ChEBI] +synonym: "NMR internal standards" RELATED [ChEBI] +synonym: "NMR reference standard" RELATED [ChEBI] +synonym: "NMR reference standards" RELATED [ChEBI] +is_a: CHEBI:33232 ! application +is_a: NMR:0002006 {comment="\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\".", isDefinedBy="http://nmrML.org/nmrCV"} ! NMR chemical shift calibration compound role +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: CHEBI:228806 +name: 3-(trimethylsilyl)propane-1-sulfonate +namespace: chebi_ontology +def: "An organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3." [] +subset: 3_STAR +synonym: "2,2-dimethyl-2-silapentane-5-sulfonate" RELATED [ChEBI] +synonym: "3-(trimethylsilyl)-1-propanesulfonate" RELATED [ChEBI] +synonym: "3-(trimethylsilyl)propane-1-sulfonate" EXACT IUPAC_NAME [IUPAC] +synonym: "DSS anion" RELATED [ChEBI] +xref: PMID:34273131 {source="Europe PMC"} +xref: PMID:37904798 {source="Europe PMC"} +xref: PMID:38404187 {source="Europe PMC"} +is_a: CHEBI:24870 ! ion +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H15O3SSi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "195.330" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.05167" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](C)(C)CCCS([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:229454 +name: yttrium nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of yttrium(III)." [] +subset: 3_STAR +synonym: "nitric acid yttrium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, yttrium(3+) salt" RELATED [ChEBI] +synonym: "yttrium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "yttrium(3+) nitrate" RELATED [ChEBI] +synonym: "yttrium(III) nitrate" RELATED [ChEBI] +xref: CAS:10361-93-0 {source="ChEBI"} +xref: PMID:21611672 {source="Europe PMC"} +xref: PMID:25966754 {source="Europe PMC"} +xref: PMID:28866266 {source="Europe PMC"} +xref: PMID:32349286 {source="Europe PMC"} +xref: PMID:36512970 {source="Europe PMC"} +xref: PMID:37102272 {source="Europe PMC"} +xref: Wikipedia:Yttrium(III)_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002087 ! 89Y spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Y" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BXJPTTGFESFXJU-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "274.918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.86929" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:229455 +name: dimethylcadmium +namespace: chebi_ontology +def: "An organocadmium compound that is cadmium substituted by two methyl groups." [] +subset: 3_STAR +synonym: "cadmium(2+) carbanide" RELATED [ChEBI] +synonym: "dimethylcadmium" EXACT IUPAC_NAME [IUPAC] +synonym: "Me2Cd" RELATED [ChEBI] +xref: CAS:506-82-1 {source="NIST Chemistry WebBook"} +xref: PMID:11671234 {source="Europe PMC"} +xref: PMID:1916391 {source="Europe PMC"} +xref: PMID:22295998 {source="Europe PMC"} +xref: PMID:22409081 {source="Europe PMC"} +xref: PMID:27457504 {source="Europe PMC"} +xref: PMID:28125780 {source="Europe PMC"} +xref: PMID:28613888 {source="Europe PMC"} +xref: PMID:31145405 {source="Europe PMC"} +xref: Wikipedia:Dimethylcadmium +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002091 ! 111Cd spectrum chemical shift reference compound +is_a: NMR:0002092 ! 113Cd spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Cd" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2CH3.Cd/h2*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVVGSXJGEUULNM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "142.484" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "143.95031" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Cd]C" xsd:string + +[Term] +id: CHEBI:229456 +name: xenon oxytetrafluoride +namespace: chebi_ontology +def: "A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group." [] +subset: 3_STAR +synonym: "tetrafluoro(oxido)xenon" EXACT IUPAC_NAME [IUPAC] +synonym: "xenon fluoride oxide (XeF4O)" RELATED [ChEBI] +synonym: "xenon fluoride oxide (XeOF4)" RELATED [ChEBI] +synonym: "xenon monoxide tetrafluoride" RELATED [ChEBI] +synonym: "xenon oxide fluoride (XeOF4)" RELATED [ChEBI] +synonym: "xenon oxyfluoride (XeOF4)" RELATED [ChEBI] +synonym: "xenon oxytetrafluoride" EXACT [ChEBI] +synonym: "xenon tetrafluoride monoxide" RELATED [ChEBI] +synonym: "xenon tetrafluoride oxide" RELATED [ChEBI] +synonym: "XeOF4" RELATED [ChEBI] +xref: CAS:13774-85-1 {source="NIST Chemistry WebBook"} +xref: Wikipedia:Xenon_oxytetrafluoride +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002098 ! 129Xe spectrum chemical shift reference compound +is_a: NMR:0002159 ! 131Xe spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F4OXe" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F4OXe/c1-6(2,3,4)5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONRYXFFHIXYZMZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "223.286" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "223.89268" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[Xe](F)(F)(F)=O" xsd:string + +[Term] +id: CHEBI:229457 +name: rhodium acetylacetonate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002088 ! 103Rh spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H24O6Rh" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "403.256" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "403.06279" xsd:string + +[Term] +id: CHEBI:229458 +name: thallium(III) nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of thallium(III)." [] +subset: 3_STAR +synonym: "nitric acid thallium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, thallium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, thallium(3+) salt (3:1)" RELATED [ChEBI] +synonym: "thallic nitrate" RELATED [ChEBI] +synonym: "thallium nitrate" RELATED [ChEBI] +synonym: "thallium trinitrate" RELATED [ChEBI] +synonym: "thallium(3+) trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "Tl(NO3)3" RELATED [ChEBI] +synonym: "trinitric acid thallium(III) salt" RELATED [ChEBI] +xref: CAS:13746-98-0 {source="ChEBI"} +xref: PMID:12003571 {source="Europe PMC"} +xref: PMID:1219781 {source="Europe PMC"} +xref: PMID:13464463 {source="Europe PMC"} +xref: PMID:15433618 {source="Europe PMC"} +xref: PMID:20377233 {source="Europe PMC"} +xref: PMID:20472438 {source="Europe PMC"} +xref: PMID:25891454 {source="Europe PMC"} +xref: PMID:33577652 {source="Europe PMC"} +xref: PMID:38104746 {source="Europe PMC"} +xref: Wikipedia:Thallium(III)_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002103 ! 203Ti spectrum chemical shift reference compound +is_a: NMR:0002104 ! 205Ti spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Tl" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLBIUKJOZFWCLW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "390.390" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "390.93788" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231495 +name: Boron trifluoride etherate +namespace: chebi_ontology +subset: 2_STAR +synonym: "BF3.Et2O" RELATED [SUBMITTER] +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002127 ! 11B spectrum chemical shift reference compound +is_a: NMR:0002128 ! 10B spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O.BF3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZMGYPLQYOPHEL-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "141.930" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "142.07768" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "B(F)(F)F.O(CC)CC" xsd:string + +[Term] +id: CHEBI:231498 +name: scandium nitrate +namespace: chebi_ontology +def: "An inorganic nitrate salt having Sc(3+) as the counterion." [] +subset: 3_STAR +synonym: "nitric acid scandium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, scandium(3+) salt" RELATED [ChEBI] +synonym: "Sc(NO3)3" RELATED [ChEBI] +synonym: "scandium nitrate (Sc(NO3)3)" RELATED [ChEBI] +synonym: "scandium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "scandium(3+) nitrate" RELATED [ChEBI] +synonym: "scandium(3+) trinitrate" RELATED [ChEBI] +synonym: "scandium(III) nitrate" RELATED [ChEBI] +synonym: "tris(nitrato-O,O')scandium" RELATED [ChEBI] +xref: PMID:23350751 {source="Europe PMC"} +xref: PMID:30080026 {source="Europe PMC"} +xref: PMID:35335383 {source="Europe PMC"} +xref: Wikipedia:13465-60-6 +xref: Wikipedia:Scandium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002113 ! 45Sc spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Sc" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFCYEXJMCFQPPA-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "230.968" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "230.91936" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231499 +name: titanium tetrachloride +namespace: chebi_ontology +def: "A titanium molecular entity that is titanium which carries 4 chlorine atoms." [] +subset: 3_STAR +synonym: "tetrachlorotitanium" RELATED [ChEBI] +synonym: "TiCl4" RELATED [ChEBI] +synonym: "titanium chloride" RELATED [ChEBI] +synonym: "titanium chloride (TiCl4)" RELATED [ChEBI] +synonym: "titanium(4+) tetrachloride" EXACT IUPAC_NAME [IUPAC] +synonym: "titanium(IV) chloride" RELATED [ChEBI] +synonym: "titanium(IV) tetrachloride" RELATED [ChEBI] +xref: CAS:7550-45-0 {source="NIST Chemistry WebBook"} +xref: PMID:30210541 {source="Europe PMC"} +xref: PMID:31459120 {source="Europe PMC"} +xref: PMID:32551348 {source="Europe PMC"} +xref: PMID:32775858 {source="Europe PMC"} +xref: PMID:33403630 {source="Europe PMC"} +xref: PMID:33511532 {source="Europe PMC"} +xref: PMID:33715746 {source="Europe PMC"} +xref: PMID:34252674 {source="Europe PMC"} +xref: PMID:34380292 {source="Europe PMC"} +xref: PMID:34528791 {source="Europe PMC"} +xref: PMID:35166548 {source="Europe PMC"} +xref: PMID:35613484 {source="Europe PMC"} +xref: PMID:36272804 {source="Europe PMC"} +xref: PMID:36415852 {source="Europe PMC"} +xref: PMID:36615254 {source="Europe PMC"} +xref: PMID:36615464 {source="Europe PMC"} +xref: PMID:36758354 {source="Europe PMC"} +xref: PMID:36982242 {source="Europe PMC"} +xref: PMID:37582091 {source="Europe PMC"} +xref: PMID:37629812 {source="Europe PMC"} +xref: PMID:37931042 {source="Europe PMC"} +xref: PMID:38282685 {source="Europe PMC"} +xref: PMID:38334535 {source="Europe PMC"} +xref: PMID:38398529 {source="Europe PMC"} +xref: PMID:38656102 {source="Europe PMC"} +xref: PMID:7378496 {source="Europe PMC"} +xref: Wikipedia:Titanium_tetrachloride +is_a: CHEBI:33497 ! transition element molecular entity +is_a: NMR:0002111 ! 49Ti spectrum chemical shift reference compound +is_a: NMR:0002112 ! 47Ti spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl4Ti" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XJDNKRIXUMDJCW-UHFFFAOYSA-J" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "189.670" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "187.82335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[Ti](Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:231500 +name: Vanadium oxytrichloride +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl3OV" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JBIQAPKSNFTACH-UHFFFAOYSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "173.290" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.84543" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[V](Cl)(=O)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:231502 +name: Potassium cobalticyanide +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: NMR:0002106 ! 59Co spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CN.CN.CN.CN.CN.CN.Co.K.K.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LGRDAQPMSDIUQJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "332.336" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "331.84276" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N" xsd:string + +[Term] +id: CHEBI:231503 +name: Cu(MeCN)4ClO4 +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002134 ! 63Cu spectrum chemical shift reference compound +is_a: NMR:0002135 ! 65Cu spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FXYIJMLSVDZYOJ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "327.200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "325.98431" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C" xsd:string + +[Term] +id: CHEBI:231504 +name: zinc nitrate +namespace: chebi_ontology +def: "An inorganic nitrate salt having zinc(2+) as the couterion." [] +subset: 3_STAR +synonym: "nitric acid zinc salt" RELATED [ChEBI] +synonym: "nitric acid, zinc salt" RELATED [ChEBI] +synonym: "zinc dinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "zinc(II) nitrate" RELATED [ChEBI] +synonym: "Zn(NO3)2" RELATED [ChEBI] +xref: CAS:7779-88-6 {source="ChEBI"} +xref: PMID:26491297 {source="Europe PMC"} +xref: PMID:31398835 {source="Europe PMC"} +xref: PMID:35057288 {source="Europe PMC"} +xref: PMID:35685711 {source="Europe PMC"} +xref: PMID:37828577 {source="Europe PMC"} +xref: PMID:38356607 {source="Europe PMC"} +xref: Wikipedia:Zinc_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002136 ! 67Zn spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.Zn" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONDPHDOFVYQSGI-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "189.390" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "187.90478" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231505 +name: gallium nitrate +namespace: chebi_ontology +alt_id: CHEBI:5269 +def: "The inorganic nitrate salt of gallium." [] +subset: 3_STAR +synonym: "Ga(NO3)3" RELATED [ChEBI] +synonym: "gallium nitrate anhydrous" RELATED [ChEBI] +synonym: "gallium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "gallium(III) nitrate" RELATED [ChEBI] +synonym: "Ganite" RELATED BRAND_NAME [DrugBank] +synonym: "nitric acid gallium salt" RELATED [ChEBI] +synonym: "nitric acid, gallium salt" RELATED [ChEBI] +xref: CAS:13494-90-1 {source="ChEBI"} +xref: DrugBank:DB05260 +xref: PMID:23959335 {source="Europe PMC"} +xref: PMID:24060870 {source="Europe PMC"} +xref: PMID:24656780 {source="Europe PMC"} +xref: PMID:26055478 {source="Europe PMC"} +xref: PMID:26149986 {source="Europe PMC"} +xref: PMID:26369125 {source="Europe PMC"} +xref: PMID:26647856 {source="Europe PMC"} +xref: PMID:26885514 {source="Europe PMC"} +xref: PMID:27027708 {source="Europe PMC"} +xref: PMID:29394029 {source="Europe PMC"} +xref: PMID:31216793 {source="Europe PMC"} +xref: PMID:31264851 {source="Europe PMC"} +xref: PMID:31475514 {source="Europe PMC"} +xref: PMID:31773196 {source="Europe PMC"} +xref: PMID:32845117 {source="Europe PMC"} +xref: PMID:32896958 {source="Europe PMC"} +xref: PMID:33078927 {source="Europe PMC"} +xref: PMID:33257448 {source="Europe PMC"} +xref: PMID:33715736 {source="Europe PMC"} +xref: PMID:34065605 {source="Europe PMC"} +xref: PMID:34133200 {source="Europe PMC"} +xref: PMID:34346692 {source="Europe PMC"} +xref: PMID:34775292 {source="Europe PMC"} +xref: PMID:35564180 {source="Europe PMC"} +xref: PMID:36049087 {source="Europe PMC"} +xref: PMID:36385992 {source="Europe PMC"} +xref: PMID:36621329 {source="Europe PMC"} +xref: PMID:37272820 {source="Europe PMC"} +xref: PMID:37471668 {source="Europe PMC"} +xref: PMID:38672503 {source="Europe PMC"} +xref: PMID:7428136 {source="Europe PMC"} +xref: Wikipedia:Gallium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002137 ! 69Ga spectrum chemical shift reference compound +is_a: NMR:0002138 ! 71Ga spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Ga" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CHPZKNULDCNCBW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "255.735" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.88903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231506 +name: tetramethylgermane +namespace: chebi_ontology +def: "An organogermanium compound that is germanium which carries four methyl groups." [] +subset: 3_STAR +synonym: "(CH3)4Ge" RELATED [NIST_Chemistry_WebBook] +synonym: "Ge(CH3)4" RELATED [ChEBI] +synonym: "Me4Ge" RELATED [ChEBI] +synonym: "tetramethyl germanium" RELATED [ChEBI] +synonym: "tetramethylgermane" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethylgermanium" RELATED [NIST_Chemistry_WebBook] +xref: CAS:865-52-1 {source="NIST Chemistry WebBook"} +xref: PMID:15112560 {source="Europe PMC"} +xref: PMID:15913252 {source="Europe PMC"} +xref: PMID:16610821 {source="Europe PMC"} +xref: PMID:20305357 {source="Europe PMC"} +xref: PMID:23753000 {source="Europe PMC"} +xref: PMID:26617304 {source="Europe PMC"} +xref: PMID:30849877 {source="Europe PMC"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002139 ! 73Ge spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Ge" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZRLCXMPFXYVHGS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "132.770" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.01508" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Ge](C)(C)C" xsd:string + +[Term] +id: CHEBI:231507 +name: Sodium hexafluoroarsenate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002140 ! 75As spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "AsF6.Na" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NFXMAZFYHDSPPB-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "211.902" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.90178" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[As-](F)(F)(F)(F)(F)F.[Na+]" xsd:string + +[Term] +id: CHEBI:231508 +name: Zirconocene dichloride +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002146 ! 91Zr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10Cl2Zr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QRUYYSPCOGSZGQ-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "292.310" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.92066" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl" xsd:string + +[Term] +id: CHEBI:231509 +name: Ammonium pertechnetate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: NMR:0002150 ! 99Tc spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H4N.O4Tc" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WJULHBIORCQBSY-UHFFFAOYSA-O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "179.040" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.01000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Tc](=O)([O-])(=O)=O.[NH4+]" xsd:string + +[Term] +id: CHEBI:231510 +name: Potassium hexacyanoruthenate(ii) +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002151 ! 99Ru spectrum chemical shift reference compound +is_a: NMR:0002152 ! 101Ru spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6N6Ru.K.K.K.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FRCBOHAGKUJBHE-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "413.570" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "413.77761" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+]" xsd:string + +[Term] +id: CHEBI:231511 +name: Potassium hexachloropalladate(IV) +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002153 ! 105Pd spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Pd.K.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OEDRXJBJMMJUSV-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "397.320" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "393.64401" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]" xsd:string + +[Term] +id: CHEBI:231512 +name: indium(III) nitrate +namespace: chebi_ontology +def: "The trinitrate salt of indium." [] +subset: 3_STAR +synonym: "In(NO3)3" RELATED [ChEBI] +synonym: "indium nitrate" RELATED [ChEBI] +synonym: "indium trinitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "indium(III) nitrate anhydrous" RELATED [ChEBI] +synonym: "nitric acid indium(3+) salt" RELATED [ChEBI] +synonym: "nitric acid, indium(3+) salt" RELATED [ChEBI] +xref: CAS:13770-61-1 {source="ChEBI"} +xref: PMID:31152235 {source="Europe PMC"} +xref: PMID:38456408 {source="Europe PMC"} +xref: PMID:38787340 {source="Europe PMC"} +xref: Wikipedia:Indium(III)_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002154 ! 113In spectrum chemical shift reference compound +is_a: NMR:0002155 ! 115In spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.In" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LKRFCKCBYVZXTC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "300.830" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.86733" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231513 +name: Kaliumhexachloroantimonat(V) +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002156 ! 121Sb spectrum chemical shift reference compound +is_a: NMR:0002157 ! 123Sb spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Sb.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QWPXFQMWSGNALL-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "373.560" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "369.68063" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+]" xsd:string + +[Term] +id: CHEBI:231514 +name: caesium nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of caesium." [] +subset: 3_STAR +synonym: "caesium nitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "cesium nitrate" RELATED [NIST_Chemistry_WebBook] +synonym: "CsNO3" RELATED [ChEBI] +synonym: "nitric acid cesium salt" RELATED [ChEBI] +synonym: "nitric acid, cesium salt" RELATED [ChEBI] +xref: CAS:7789-18-6 {source="NIST Chemistry WebBook"} +xref: PMID:10855667 {source="Europe PMC"} +xref: PMID:11080873 {source="Europe PMC"} +xref: PMID:16755612 {source="Europe PMC"} +xref: PMID:17117865 {source="Europe PMC"} +xref: PMID:30151534 {source="Europe PMC"} +xref: PMID:35411853 {source="Europe PMC"} +xref: Wikipedia:Caesium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002160 ! 133Cs spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.Cs" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLSCHDZTHVNDCP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "194.909" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.89327" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cs+].[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:231515 +name: lanthanum trichloride +namespace: chebi_ontology +def: "The trichloride salt of lanthanum." [] +subset: 3_STAR +synonym: "LaCl3" RELATED [ChEBI] +synonym: "lanthanum chloride" RELATED [ChEBI] +synonym: "lanthanum chloride (LaCl3)" RELATED [ChEBI] +synonym: "lanthanum trichloride" EXACT IUPAC_NAME [IUPAC] +synonym: "lanthanum(III) chloride" RELATED [ChEBI] +xref: CAS:10099-58-8 {source="NIST Chemistry WebBook"} +xref: PMID:25048927 {source="Europe PMC"} +xref: PMID:29698762 {source="Europe PMC"} +xref: PMID:30116365 {source="Europe PMC"} +xref: PMID:30617363 {source="Europe PMC"} +xref: PMID:31187842 {source="Europe PMC"} +xref: PMID:31776842 {source="Europe PMC"} +xref: PMID:32461997 {source="Europe PMC"} +xref: PMID:33206094 {source="Europe PMC"} +xref: PMID:34688703 {source="Europe PMC"} +xref: PMID:34977076 {source="Europe PMC"} +xref: PMID:35303612 {source="Europe PMC"} +xref: PMID:35661286 {source="Europe PMC"} +xref: PMID:35727352 {source="Europe PMC"} +xref: PMID:35809677 {source="Europe PMC"} +xref: PMID:36006215 {source="Europe PMC"} +xref: PMID:37767339 {source="Europe PMC"} +xref: PMID:37837874 {source="Europe PMC"} +xref: PMID:38222531 {source="Europe PMC"} +xref: PMID:38322316 {source="Europe PMC"} +xref: Wikipedia:Lanthanum(III)_chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002163 ! 138La spectrum chemical shift reference compound +is_a: NMR:0002164 ! 139La spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl3La" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ICAKDTKJOYSXGC-UHFFFAOYSA-K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "245.260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "243.81292" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[La](Cl)Cl" xsd:string + +[Term] +id: CHEBI:231529 +name: tetramethylsilane-d12 +namespace: chebi_ontology +def: "A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium." [] +subset: 3_STAR +synonym: "(CD3)4Si" RELATED [ChEBI] +synonym: "tetra((2)H3)methylsilane" RELATED [ChEBI] +synonym: "tetra(methyl-d3)silane" RELATED [ChEBI] +synonym: "tetrakis(trideuteriomethyl)silane" RELATED [ChEBI] +synonym: "tetrakis(trideuteromethyl)silane" RELATED [ChEBI] +synonym: "tetrakis[((2)H3)methyl]silane" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethylsilane (TMS)-d12" RELATED [ChEBI] +synonym: "TMS-d12" RELATED [ChEBI] +xref: CAS:18145-38-5 {source="ChEBI"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000431 ! 2H spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4D12Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZDYPVPMEAXLPK-MGKWXGLJSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "100.298" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "100.14615" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:231536 +name: Potassium;tantalum(5+);hexachloride +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: NMR:0002167 ! 181Ta spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl.Cl.Cl.Cl.Cl.Cl.K.Ta" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLOUZLJQZAAGJG-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "432.750" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "429.72482" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+]" xsd:string + +[Term] +id: CHEBI:231537 +name: Potassium perrhenate +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: NMR:0002168 ! 185Re spectrum chemical shift reference compound +is_a: NMR:0002169 ! 187Re spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Re.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K.4O.Re/q+1;;;;-1;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QFKRWIFGDGKWLM-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "289.301" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "289.89911" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Re](=O)(=O)(=O)[O-].[K+]" xsd:string + +[Term] +id: CHEBI:231538 +name: Bismut(III)-nitrat +namespace: chebi_ontology +subset: 2_STAR +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002175 ! 209Bi spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NO3.NO3.NO3.Bi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PPNKDDZCLDMRHS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "394.992" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "394.94385" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]" xsd:string + +[Term] +id: CHEBI:231541 +name: potassium hexachloroniobate(1-) +namespace: chebi_ontology +subset: 3_STAR +synonym: "K[NbCl6]" RELATED [ChEBI] +synonym: "KNbCl6" RELATED [ChEBI] +synonym: "potassium hexachloroniobate(1-)" EXACT IUPAC_NAME [IUPAC] +xref: PMCID:PMC7157447 {source="Europe PMC"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Nb.K" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GCHPLIDUVOJGPP-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "344.700" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "341.68319" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:23367 +name: molecular entity +namespace: chebi_ontology +def: "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." [] +subset: 3_STAR +synonym: "entidad molecular" RELATED [IUPAC] +synonym: "entidades moleculares" RELATED [IUPAC] +synonym: "entite moleculaire" RELATED [IUPAC] +synonym: "molecular entities" RELATED [IUPAC] +synonym: "molecular entity" EXACT IUPAC_NAME [IUPAC] +synonym: "molekulare Entitaet" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity +is_a: NMR:1400033 {gci_relation="has_role", gci_filler="CHEBI:228364"} ! chemical shift reference compound + +[Term] +id: CHEBI:24835 +name: inorganic molecular entity +namespace: chebi_ontology +def: "A molecular entity that contains no carbon." [] +subset: 3_STAR +synonym: "anorganische Verbindungen" RELATED [ChEBI] +synonym: "inorganic compounds" RELATED [ChEBI] +synonym: "inorganic entity" RELATED [ChEBI] +synonym: "inorganic molecular entities" RELATED [ChEBI] +synonym: "inorganics" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:24870 +name: ion +namespace: chebi_ontology +def: "A molecular entity having a net electric charge." [] +subset: 3_STAR +synonym: "Ion" EXACT [ChEBI] +synonym: "ion" EXACT IUPAC_NAME [IUPAC] +synonym: "ion" EXACT [ChEBI] +synonym: "Ionen" RELATED [ChEBI] +synonym: "iones" RELATED [ChEBI] +synonym: "ions" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:26078 +name: phosphoric acid +namespace: chebi_ontology +def: "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." [] +subset: 3_STAR +synonym: "[PO(OH)3]" RELATED [IUPAC] +synonym: "acide phosphorique" RELATED [ChEBI] +synonym: "acidum phosphoricum" RELATED [ChEBI] +synonym: "H3PO4" RELATED [IUPAC] +synonym: "Orthophosphoric acid" RELATED [KEGG_COMPOUND] +synonym: "orthophosphoric acid" RELATED [NIST_Chemistry_WebBook] +synonym: "Phosphate" RELATED [KEGG_COMPOUND] +synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] +synonym: "phosphoric acid" EXACT [IUPAC] +synonym: "Phosphorsaeure" RELATED [ChEBI] +synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] +synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] +synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] +synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7664-38-2 {source="NIST Chemistry WebBook"} +xref: CAS:7664-38-2 {source="KEGG COMPOUND"} +xref: CAS:7664-38-2 {source="ChemIDplus"} +xref: Drug_Central:4478 {source="DrugCentral"} +xref: Gmelin:2000 {source="Gmelin"} +xref: HMDB:HMDB0002142 +xref: KEGG:C00009 +xref: KEGG:D05467 +xref: KNApSAcK:C00007408 +xref: PMID:11455380 {source="Europe PMC"} +xref: PMID:15630224 {source="Europe PMC"} +xref: PMID:17439666 {source="Europe PMC"} +xref: PMID:17518491 {source="Europe PMC"} +xref: PMID:22282755 {source="Europe PMC"} +xref: PMID:22333268 {source="Europe PMC"} +xref: PMID:22381614 {source="Europe PMC"} +xref: PMID:22401268 {source="Europe PMC"} +xref: Reaxys:1921286 {source="Reaxys"} +xref: Wikipedia:Phosphoric_Acid +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000058 ! 31P spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4P" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "97.99520" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.97690" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(=O)(O[H])O[H]" xsd:string + +[Term] +id: CHEBI:26710 +name: sodium chloride +namespace: chebi_ontology +def: "An inorganic chloride salt having sodium(1+) as the counterion." [] +subset: 3_STAR +synonym: "chlorure de sodium" RELATED [ChEBI] +synonym: "cloruro sodico" RELATED [ChEBI] +synonym: "common salt" RELATED [ChemIDplus] +synonym: "halite" RELATED [NIST_Chemistry_WebBook] +synonym: "Kochsalz" RELATED [ChEBI] +synonym: "NaCl" RELATED [IUPAC] +synonym: "natrii chloridum" RELATED [ChEBI] +synonym: "Natriumchlorid" RELATED [NIST_Chemistry_WebBook] +synonym: "rock salt" RELATED [ChemIDplus] +synonym: "salt" RELATED [ChemIDplus] +synonym: "sodium chloride" EXACT [ChEBI] +synonym: "sodium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "table salt" RELATED [ChemIDplus] +xref: CAS:7647-14-5 {source="ChemIDplus"} +xref: CAS:7647-14-5 {source="NIST Chemistry WebBook"} +xref: CAS:7647-14-5 {source="KEGG COMPOUND"} +xref: Gmelin:13673 {source="Gmelin"} +xref: KEGG:C13563 +xref: KEGG:D02056 +xref: MetaCyc:NACL +xref: PPDB:595 +xref: Reaxys:3534976 {source="Reaxys"} +xref: Wikipedia:Sodium_Chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002118 ! 37Cl spectrum chemical shift reference compound +is_a: NMR:0002119 ! 35Cl spectrum chemical shift reference compound +is_a: NMR:0002123 ! 23Na spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClNa" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "58.44247" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.95862" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Cl-]" xsd:string + +[Term] +id: CHEBI:29228 +name: hydrogen fluoride +namespace: chebi_ontology +def: "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." [] +subset: 3_STAR +synonym: "[HF]" RELATED [IUPAC] +synonym: "fluorane" EXACT IUPAC_NAME [IUPAC] +synonym: "Fluoride" RELATED [KEGG_COMPOUND] +synonym: "fluoridohydrogen" EXACT IUPAC_NAME [IUPAC] +synonym: "fluorure d'hydrogene" RELATED [ChEBI] +synonym: "Fluorwasserstoff" RELATED [ChEBI] +synonym: "HF" RELATED [IUPAC] +synonym: "hydrofluoric acid" RELATED [ChemIDplus] +synonym: "Hydrogen fluoride" EXACT [KEGG_COMPOUND] +synonym: "hydrogen fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "Hydrogenfluorid" RELATED [ChEBI] +xref: CAS:7664-39-3 {source="NIST Chemistry WebBook"} +xref: CAS:7664-39-3 {source="ChemIDplus"} +xref: CAS:7664-39-3 {source="KEGG COMPOUND"} +xref: Drug_Central:4499 {source="DrugCentral"} +xref: Gmelin:166 {source="Gmelin"} +xref: KEGG:C16487 +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "FH" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "20.00634" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.00623" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "F[H]" xsd:string + +[Term] +id: CHEBI:29236 +name: protium atom +namespace: chebi_ontology +def: "The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first)." [] +subset: 3_STAR +synonym: "(1)1H" RELATED [IUPAC] +synonym: "(1)H" RELATED [IUPAC] +synonym: "hydrogen-1" RELATED [ChEBI] +synonym: "protio" RELATED [ChEBI] +synonym: "protium" EXACT IUPAC_NAME [IUPAC] +synonym: "protium" RELATED [ChEBI] +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[1H]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZCKVEUIGOORGS-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "1.008" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1.00783" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[1H]" xsd:string + +[Term] +id: CHEBI:29237 +name: deuterium atom +namespace: chebi_ontology +def: "The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second)." [] +subset: 3_STAR +synonym: "(2)1H" RELATED [IUPAC] +synonym: "(2)H" RELATED [IUPAC] +synonym: "D" RELATED [IUPAC] +synonym: "deuterio" RELATED [ChEBI] +synonym: "Deuterium" RELATED [ChEBI] +synonym: "deuterium" EXACT IUPAC_NAME [IUPAC] +synonym: "deuterium" RELATED [ChEBI] +synonym: "heavy hydrogen" RELATED [ChEBI] +synonym: "hidrogeno pesado" RELATED [ChEBI] +synonym: "hydrogen-2" RELATED [ChEBI] +synonym: "schwerer Wasserstoff" RELATED [ChEBI] +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2/h1H/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHFLCQGNIYNRP-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "2.014" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "2.01410" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]" xsd:string + +[Term] +id: CHEBI:29238 +name: tritium atom +namespace: chebi_ontology +def: "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)." [] +subset: 3_STAR +synonym: "(3)1H" RELATED [IUPAC] +synonym: "(3)H" RELATED [IUPAC] +synonym: "hydrogen-3" RELATED [ChEBI] +synonym: "T" RELATED [IUPAC] +synonym: "tritio" RELATED [ChEBI] +synonym: "tritium" EXACT IUPAC_NAME [IUPAC] +synonym: "tritium" RELATED [ChEBI] +synonym: "ueberschwerer Wasserstoff" RELATED [ChEBI] +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "T" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2/h1H/i1+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UFHFLCQGNIYNRP-NJFSPNSNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01605" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3H]" xsd:string + +[Term] +id: CHEBI:30183 +name: tetramethyllead +namespace: chebi_ontology +subset: 3_STAR +synonym: "Bleitetramethyl" RELATED [ChEBI] +synonym: "lead tetramethyl" RELATED [ChemIDplus] +synonym: "PbMe4" RELATED [IUPAC] +synonym: "tetramethyl lead" RELATED [ChemIDplus] +synonym: "tetramethyllead" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethylplumbane" EXACT IUPAC_NAME [IUPAC] +synonym: "TML" RELATED [NIST_Chemistry_WebBook] +xref: Beilstein:3902986 {source="ChemIDplus"} +xref: CAS:75-74-1 {source="ChemIDplus"} +xref: CAS:75-74-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:2491 {source="Gmelin"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002105 ! 207Pb spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Pb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CH3.Pb/h4*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOOGZRUBTYCLHG-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "267.33808" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.07055" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Pb](C)(C)C" xsd:string + +[Term] +id: CHEBI:30218 +name: helium-3 atom +namespace: chebi_ontology +def: "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium." [] +subset: 3_STAR +synonym: "(3)2He" RELATED [IUPAC] +synonym: "(3)He" RELATED [IUPAC] +synonym: "(3He)helium" RELATED [ChemIDplus] +synonym: "helium, isotope of mass 3" RELATED [ChemIDplus] +synonym: "helium-3" EXACT IUPAC_NAME [IUPAC] +synonym: "helium-3" RELATED [ChEBI] +xref: CAS:14762-55-1 {source="ChemIDplus"} +xref: Gmelin:14208 {source="Gmelin"} +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[3He]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWQJXJOGLNCZEY-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "3.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "3.01603" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[3He]" xsd:string + +[Term] +id: CHEBI:30236 +name: difluorine +namespace: chebi_ontology +subset: 3_STAR +synonym: "bifluoriden" RELATED [NIST_Chemistry_WebBook] +synonym: "difluorine" EXACT IUPAC_NAME [IUPAC] +synonym: "F2" RELATED [IUPAC] +synonym: "fluorine" RELATED [NIST_Chemistry_WebBook] +xref: CAS:7782-41-4 {source="ChemIDplus"} +xref: CAS:7782-41-4 {source="NIST Chemistry WebBook"} +xref: Gmelin:544 {source="Gmelin"} +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F2/c1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXGOKWXKJXAPGV-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "37.99681" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "37.99681" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FF" xsd:string + +[Term] +id: CHEBI:30251 +name: pentacarbonyliron +namespace: chebi_ontology +subset: 3_STAR +synonym: "[Fe(CO)5]" RELATED [IUPAC] +synonym: "iron pentacarbonyl" RELATED [NIST_Chemistry_WebBook] +synonym: "pentacarbonyliron" EXACT IUPAC_NAME [IUPAC] +synonym: "pentacarbonyliron(0)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:13463-40-6 {source="ChemIDplus"} +xref: CAS:13463-40-6 {source="NIST Chemistry WebBook"} +xref: Gmelin:3567 {source="Gmelin"} +xref: Gmelin:3568 {source="Gmelin"} +xref: MolBase:49 +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002085 ! 57Fe spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C5FeO5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/5CO.Fe/c5*1-2;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYOFOKCECDGJBF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "195.89550" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.90951" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]" xsd:string + +[Term] +id: CHEBI:30372 +name: tetracarbonylnickel +namespace: chebi_ontology +subset: 3_STAR +synonym: "[Ni(CO)4]" RELATED [IUPAC] +synonym: "Nickel carbonyl" RELATED [ChemIDplus] +synonym: "Nickel tetracarbonyl" RELATED [NIST_Chemistry_WebBook] +synonym: "tetracarbonylnickel" EXACT IUPAC_NAME [IUPAC] +synonym: "tetracarbonylnickel(0)" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:6122797 {source="Beilstein"} +xref: Beilstein:6711606 {source="Beilstein"} +xref: CAS:13463-39-3 {source="NIST Chemistry WebBook"} +xref: CAS:13463-39-3 {source="ChemIDplus"} +xref: Gmelin:101586 {source="Gmelin"} +xref: Gmelin:3135 {source="Gmelin"} +xref: MolBase:138 +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002133 ! 61Ni spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4NiO4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CO.Ni/c4*1-2;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AWDHUGLHGCVIEG-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "170.73380" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.91500" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O]#C[Ni](C#[O])(C#[O])C#[O]" xsd:string + +[Term] +id: CHEBI:30420 +name: tetramethyltin +namespace: chebi_ontology +def: "An organotin compound carrying four methyl groups." [] +subset: 3_STAR +synonym: "(CH3)4Sn" RELATED [NIST_Chemistry_WebBook] +synonym: "[SnMe4]" RELATED [MolBase] +synonym: "SnMe4" RELATED [IUPAC] +synonym: "tetramethylstannane" EXACT IUPAC_NAME [IUPAC] +synonym: "tetramethyltin" EXACT IUPAC_NAME [IUPAC] +xref: CAS:594-27-4 {source="ChemIDplus"} +xref: CAS:594-27-4 {source="NIST Chemistry WebBook"} +xref: Gmelin:1938 {source="Gmelin"} +xref: MolBase:817 +xref: Patent:US4216066 +xref: PMID:22007212 {source="Europe PMC"} +xref: PMID:23320683 {source="Europe PMC"} +xref: Reaxys:3647887 {source="Reaxys"} +xref: Wikipedia:Tetramethyltin +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002093 ! 115Sn spectrum chemical shift reference compound +is_a: NMR:0002094 ! 117Sn spectrum chemical shift reference compound +is_a: NMR:0002095 ! 119Sn spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Sn" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4CH3.Sn/h4*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VXKWYPOMXBVZSJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "178.84808" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.99610" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Sn](C)(C)C" xsd:string + +[Term] +id: CHEBI:30496 +name: sulfur hexafluoride +namespace: chebi_ontology +def: "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years)." [] +subset: 3_STAR +synonym: "[SF6]" RELATED [MolBase] +synonym: "hexafluoridosulfur" EXACT IUPAC_NAME [IUPAC] +synonym: "SF6" RELATED [IUPAC] +synonym: "Sonovue" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "sulfur hexafluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur(6+) fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur(VI) fluoride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:2551-62-4 {source="ChemIDplus"} +xref: CAS:2551-62-4 {source="NIST Chemistry WebBook"} +xref: Drug_Central:4039 {source="DrugCentral"} +xref: Gmelin:2752 {source="Gmelin"} +xref: KEGG:D05962 +xref: MolBase:971 +xref: PMID:25459612 {source="Europe PMC"} +xref: PMID:25559529 {source="Europe PMC"} +xref: PMID:25607376 {source="Europe PMC"} +xref: PMID:25647411 {source="Europe PMC"} +xref: PMID:25660738 {source="Europe PMC"} +xref: Reaxys:7247840 {source="Reaxys"} +xref: Wikipedia:Sulfur_hexafluoride +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "F6S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SFZCNBIFKDRMGX-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.050" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.96249" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FS(F)(F)(F)(F)F" xsd:string + +[Term] +id: CHEBI:30786 +name: dimethylmercury +namespace: chebi_ontology +subset: 3_STAR +synonym: "[HgMe2]" RELATED [MolBase] +synonym: "Dimethyl mercury" RELATED [ChemIDplus] +synonym: "dimethylmercury" EXACT IUPAC_NAME [IUPAC] +xref: Beilstein:3600205 {source="Beilstein"} +xref: CAS:593-74-8 {source="NIST Chemistry WebBook"} +xref: CAS:593-74-8 {source="ChemIDplus"} +xref: Gmelin:25889 {source="Gmelin"} +xref: MolBase:298 +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002102 ! 199Hg spectrum chemical shift reference compound +is_a: NMR:0002174 ! 201Hg spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Hg" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2CH3.Hg/h2*1H3;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATZBPOVXVPIOMR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "230.65904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.01759" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Hg]C" xsd:string + +[Term] +id: CHEBI:32130 +name: silver(1+) nitrate +namespace: chebi_ontology +subset: 3_STAR +synonym: "AgNO3" RELATED [IUPAC] +synonym: "nitric acid silver(I) salt" RELATED [ChemIDplus] +synonym: "silver mononitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "silver nitrate" RELATED [ChemIDplus] +synonym: "silver(1+) nitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "silver(I) nitrate" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7761-88-8 {source="ChemIDplus"} +xref: Gmelin:23909 {source="Gmelin"} +xref: KEGG:D01730 +xref: Wikipedia:Silver_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002089 ! 107Ag spectrum chemical shift reference compound +is_a: NMR:0002090 ! 109Ag spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "AgNO3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SQGYOTSLMSWVJD-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "169.87314" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.89291" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ag+].[O-]N(=O)=O" xsd:string + +[Term] +id: CHEBI:32588 +name: potassium chloride +namespace: chebi_ontology +def: "A metal chloride salt with a K(+) counterion." [] +subset: 3_STAR +synonym: "[KCl]" RELATED [MolBase] +synonym: "Kaliumchlorid" RELATED [ChEBI] +synonym: "Kaon-Cl 10" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "KCl" RELATED [IUPAC] +synonym: "Klor-con" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "Klotrix" RELATED BRAND_NAME [KEGG_DRUG] +synonym: "Monopotassium chloride" RELATED [DrugBank] +synonym: "muriate of potash" RELATED [NIST_Chemistry_WebBook] +synonym: "potassium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "sylvite" RELATED [ChEBI] +xref: CAS:7447-40-7 {source="NIST Chemistry WebBook"} +xref: CAS:7447-40-7 {source="ChemIDplus"} +xref: DrugBank:DB00761 +xref: KEGG:D02060 +xref: MetaCyc:KCL +xref: MolBase:881 +xref: Reaxys:3534978 {source="Reaxys"} +xref: Wikipedia:Potassium_Chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002115 ! 41K spectrum chemical shift reference compound +is_a: NMR:0002116 ! 40K spectrum chemical shift reference compound +is_a: NMR:0002117 ! 39K spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClK" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "74.55100" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.93256" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[K+]" xsd:string + +[Term] +id: CHEBI:32954 +name: sodium acetate +namespace: chebi_ontology +subset: 3_STAR +synonym: "acetic acid, sodium salt" RELATED [ChemIDplus] +synonym: "anhydrous sodium acetate" RELATED [ChemIDplus] +synonym: "Natriumazetat" RELATED [ChEBI] +synonym: "sodium acetate" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium acetate anhydrous" RELATED [ChemIDplus] +xref: Beilstein:3595639 {source="Beilstein"} +xref: CAS:127-09-3 {source="ChemIDplus"} +xref: Gmelin:20502 {source="Gmelin"} +xref: Wikipedia:Sodium_Acetate +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3NaO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VMHLLURERBWHNL-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "82.03379" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "82.00307" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].CC([O-])=O" xsd:string + +[Term] +id: CHEBI:3312 +name: calcium dichloride +namespace: chebi_ontology +subset: 3_STAR +synonym: "[CaCl2]" RELATED [MolBase] +synonym: "CaCl2" RELATED [IUPAC] +synonym: "calcium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Calcium chloride anhydrous" RELATED [KEGG_COMPOUND] +synonym: "calcium chloride anhydrous" RELATED [ChemIDplus] +synonym: "calcium dichloride" EXACT IUPAC_NAME [IUPAC] +xref: AGR:IND607339542 {source="Europe PMC"} +xref: CAS:10043-52-4 {source="NIST Chemistry WebBook"} +xref: CAS:10043-52-4 {source="ChemIDplus"} +xref: CAS:10043-52-4 {source="KEGG COMPOUND"} +xref: DrugBank:DB01164 +xref: FooDB:FDB015404 +xref: HMDB:HMDB0303526 +xref: KEGG:C08130 +xref: MetaCyc:CPD0-1589 +xref: MolBase:1869 +xref: PMID:11057678 {source="Europe PMC"} +xref: PMID:13333715 {source="Europe PMC"} +xref: PMID:32018153 {source="Europe PMC"} +xref: PMID:32441097 {source="Europe PMC"} +xref: PMID:34618995 {source="Europe PMC"} +xref: PMID:34981086 {source="Europe PMC"} +xref: PMID:35159430 {source="Europe PMC"} +xref: PMID:35159592 {source="Europe PMC"} +xref: PMID:35200459 {source="Europe PMC"} +xref: PMID:35260323 {source="Europe PMC"} +xref: PPDB:109 +xref: Wikipedia:Calcium_Chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:0002114 ! 43Ca spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CaCl2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "110.98340" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.90030" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Ca++]" xsd:string + +[Term] +id: CHEBI:33232 +name: application +namespace: chebi_ontology +def: "Intended use of the molecular entity or part thereof by humans." [] +subset: 3_STAR +is_a: BFO:0000023 ! role + +[Term] +id: CHEBI:33250 +name: atom +namespace: chebi_ontology +alt_id: CHEBI:22671 +alt_id: CHEBI:23907 +def: "A chemical entity constituting the smallest component of an element having the chemical properties of the element." [] +subset: 3_STAR +synonym: "atom" EXACT IUPAC_NAME [IUPAC] +synonym: "atome" RELATED [IUPAC] +synonym: "atomo" RELATED [IUPAC] +synonym: "atoms" RELATED [ChEBI] +synonym: "atomus" RELATED [ChEBI] +synonym: "element" RELATED [ChEBI] +synonym: "elements" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity +relationship: has_part CHEBI:33252 ! atomic nucleus + +[Term] +id: CHEBI:33252 +name: atomic nucleus +namespace: chebi_ontology +def: "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." [] +subset: 3_STAR +synonym: "Atomkern" RELATED [ChEBI] +synonym: "Kern" RELATED [ChEBI] +synonym: "noyau" RELATED [IUPAC] +synonym: "noyau atomique" RELATED [ChEBI] +synonym: "nuclei" RELATED [ChEBI] +synonym: "nucleo" RELATED [IUPAC] +synonym: "nucleo atomico" RELATED [ChEBI] +synonym: "nucleus" EXACT IUPAC_NAME [IUPAC] +synonym: "nucleus atomi" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity + +[Term] +id: CHEBI:33259 +name: elemental molecular entity +namespace: chebi_ontology +def: "A molecular entity all atoms of which have the same atomic number." [] +subset: 3_STAR +synonym: "homoatomic entity" RELATED [ChEBI] +synonym: "homoatomic molecular entities" RELATED [ChEBI] +synonym: "homoatomic molecular entity" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33310 +name: neon atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "10Ne" RELATED [IUPAC] +synonym: "Ne" RELATED [ChEBI] +synonym: "Neon" RELATED [ChEBI] +synonym: "neon" EXACT IUPAC_NAME [IUPAC] +synonym: "neon" RELATED [ChEBI] +xref: CAS:7440-01-9 {source="ChemIDplus"} +xref: WebElements:Ne +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002124 ! 21Ne spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Ne" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ne" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKAOGPIIYCISHV-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "20.17970" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "19.99244" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ne]" xsd:string + +[Term] +id: CHEBI:33371 +name: technetium-99 +namespace: chebi_ontology +subset: 3_STAR +synonym: "(99)43Tc" RELATED [IUPAC] +synonym: "(99)Tc" RELATED [IUPAC] +synonym: "technetium, isotope of mass 99" RELATED [ChemIDplus] +synonym: "technetium-99" EXACT IUPAC_NAME [IUPAC] +xref: CAS:14133-76-7 {source="ChemIDplus"} +xref: Gmelin:41657 {source="Gmelin"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[99Tc]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Tc/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GKLVYJBZJHMRIY-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "98.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "98.90625" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[99Tc]" xsd:string + +[Term] +id: CHEBI:33497 +name: transition element molecular entity +namespace: chebi_ontology +def: "A molecular entity containing one or more atoms of a transition element." [] +subset: 3_STAR +synonym: "transition element molecular entities" RELATED [ChEBI] +synonym: "transition metal molecular entity" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33579 +name: main group molecular entity +namespace: chebi_ontology +def: "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." [] +subset: 3_STAR +synonym: "main group compounds" RELATED [ChEBI] +synonym: "main group molecular entities" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:33681 +name: helium(0) +namespace: chebi_ontology +subset: 3_STAR +synonym: "[He]" RELATED [MolBase] +synonym: "atomic helium" RELATED [ChemIDplus] +synonym: "E 939" RELATED [ChEBI] +synonym: "E-939" RELATED [ChEBI] +synonym: "E939" RELATED [ChEBI] +synonym: "He" RELATED [IUPAC] +synonym: "helium" RELATED [IUPAC] +synonym: "helium(0)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7440-59-7 {source="ChemIDplus"} +xref: MolBase:922 +xref: PMID:24383961 {source="Europe PMC"} +xref: PMID:24406316 {source="Europe PMC"} +xref: PMID:24430541 {source="Europe PMC"} +xref: PMID:24553240 {source="Europe PMC"} +xref: Wikipedia:Helium +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002082 ! 3He spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "He" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/He" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWQJXJOGLNCZEY-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "4.00260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "4.00260" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[He]" xsd:string + +[Term] +id: CHEBI:33819 +name: oxygen-17 atom +namespace: chebi_ontology +def: "The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen." [] +subset: 3_STAR +synonym: "(17)8O" RELATED [IUPAC] +synonym: "(17)O" RELATED [IUPAC] +synonym: "oxygen, isotope of mass 17" RELATED [ChemIDplus] +synonym: "oxygen-17" EXACT IUPAC_NAME [IUPAC] +synonym: "oxygen-17" RELATED [ChEBI] +xref: CAS:13968-48-4 {source="ChemIDplus"} +xref: Gmelin:17561 {source="Gmelin"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[17O]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QVGXLLKOCUKJST-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "16.999" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "16.99913" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[17O]" xsd:string + +[Term] +id: CHEBI:34856 +name: morpholine +namespace: chebi_ontology +def: "An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family." [] +subset: 3_STAR +synonym: "1,4-oxazinane" RELATED [ChEBI] +synonym: "1-oxa-4-azacyclohexane" RELATED [ChemIDplus] +synonym: "diethylene imidoxide" RELATED [ChemIDplus] +synonym: "diethylene oximide" RELATED [ChemIDplus] +synonym: "diethylenimide oxide" RELATED [ChemIDplus] +synonym: "Morpholine" EXACT [KEGG_COMPOUND] +synonym: "morpholine" EXACT IUPAC_NAME [IUPAC] +synonym: "tetrahydro-1,4-oxazine" RELATED [KEGG_COMPOUND] +synonym: "tetrahydro-p-oxazine" RELATED [ChemIDplus] +xref: Beilstein:102549 {source="Beilstein"} +xref: CAS:110-91-8 {source="ChemIDplus"} +xref: CAS:110-91-8 {source="NIST Chemistry WebBook"} +xref: CAS:110-91-8 {source="KEGG COMPOUND"} +xref: Chemspider:13837537 +xref: DrugBank:DB13669 +xref: FooDB:FDB008207 +xref: Gmelin:1803 {source="Gmelin"} +xref: HMDB:HMDB0031581 +xref: KEGG:C14452 +xref: PDBeChem:6LR +xref: PMID:15017096 {source="Europe PMC"} +xref: PMID:2699898 {source="Europe PMC"} +xref: PMID:31512284 {source="Europe PMC"} +xref: PMID:31978684 {source="Europe PMC"} +xref: PMID:32017384 {source="Europe PMC"} +xref: PMID:33459557 {source="Europe PMC"} +xref: Wikipedia:Morpholine +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "87.122" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.06841" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCCN1" xsd:string + +[Term] +id: CHEBI:35568 +name: mancude ring +namespace: chebi_ontology +def: "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." [] +subset: 3_STAR +synonym: "mancude rings" RELATED [ChEBI] +synonym: "mancude-ring systems" EXACT IUPAC_NAME [IUPAC] +synonym: "mancunide-ring systems" RELATED [IUPAC] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:36357 +name: polyatomic entity +namespace: chebi_ontology +def: "Any molecular entity consisting of more than one atom." [] +subset: 3_STAR +synonym: "polyatomic entities" RELATED [ChEBI] +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: CHEBI:36383 +name: strontium dichloride +namespace: chebi_ontology +subset: 3_STAR +synonym: "SrCl2" RELATED [IUPAC] +synonym: "strontium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "strontium dichloride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:10476-85-4 {source="NIST Chemistry WebBook"} +xref: CAS:10476-85-4 {source="ChemIDplus"} +xref: Gmelin:463924 {source="Gmelin"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHBGXTDRMVNFER-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "158.52540" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "157.84332" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Sr++]" xsd:string + +[Term] +id: CHEBI:36601 +name: triphenylphosphane oxide +namespace: chebi_ontology +def: "A phosphine oxide in which the substituents on phosphorus are three phenyl groups." [] +subset: 3_STAR +synonym: "triphenyl phosphine oxide" RELATED [ChemIDplus] +synonym: "triphenyl phosphorus oxide" RELATED [ChemIDplus] +synonym: "triphenyl-lambda(5)-phosphanone" EXACT IUPAC_NAME [IUPAC] +synonym: "triphenylphosphane oxide" EXACT IUPAC_NAME [IUPAC] +synonym: "Triphenylphosphanoxid" RELATED [NIST_Chemistry_WebBook] +synonym: "triphenylphosphanoxide" RELATED [NIST_Chemistry_WebBook] +synonym: "triphenylphosphine oxide" RELATED [ChemIDplus] +xref: CAS:791-28-6 {source="ChemIDplus"} +xref: CAS:791-28-6 {source="NIST Chemistry WebBook"} +xref: Gmelin:6758 {source="Gmelin"} +xref: PMID:24280613 {source="Europe PMC"} +xref: PMID:24285309 {source="Europe PMC"} +xref: Reaxys:745854 {source="Reaxys"} +xref: Wikipedia:Triphenylphosphine_oxide +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H15OP" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FIQMHBFVRAXMOP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "278.28486" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.08605" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=P(c1ccccc1)(c1ccccc1)c1ccccc1" xsd:string + +[Term] +id: CHEBI:36810 +name: (trifluoromethyl)benzene +namespace: chebi_ontology +def: "A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group." [] +subset: 3_STAR +synonym: "(trifluoromethyl)benzene" EXACT IUPAC_NAME [IUPAC] +synonym: "alpha,alpha,alpha-trifluorotoluene" RELATED [NIST_Chemistry_WebBook] +synonym: "benzotrifluoride" RELATED [ChemIDplus] +synonym: "C6H5CF3" RELATED [ChEBI] +synonym: "CF3Ph" RELATED [ChEBI] +synonym: "omega-trifluorotoluene" RELATED [NIST_Chemistry_WebBook] +synonym: "PhCF3" RELATED [ChEBI] +synonym: "phenylfluoroform" RELATED [NIST_Chemistry_WebBook] +synonym: "trifluoromethylbenzene" RELATED [ChemIDplus] +xref: CAS:98-08-8 {source="NIST Chemistry WebBook"} +xref: CAS:98-08-8 {source="ChemIDplus"} +xref: Gmelin:3670 {source="Gmelin"} +xref: PMID:11671431 {source="Europe PMC"} +xref: PMID:20958547 {source="Europe PMC"} +xref: PMID:24267073 {source="Europe PMC"} +xref: PMID:24669762 {source="Europe PMC"} +xref: Reaxys:1906908 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H5F3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GETTZEONDQJALK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.10980" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.03433" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)c1ccccc1" xsd:string + +[Term] +id: CHEBI:36928 +name: carbon-13 atom +namespace: chebi_ontology +subset: 3_STAR +synonym: "(13)6C" RELATED [IUPAC] +synonym: "(13)C" RELATED [IUPAC] +synonym: "carbon, isotope of mass 13" RELATED [ChemIDplus] +synonym: "carbon-13" EXACT IUPAC_NAME [IUPAC] +synonym: "carbon-13" RELATED [ChEBI] +synonym: "carbon-13 atom" EXACT [ChemIDplus] +xref: CAS:14762-74-4 {source="ChemIDplus"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[13C]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OKTJSMMVPCPJKN-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "13.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "13.00335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[13C]" xsd:string + +[Term] +id: CHEBI:36934 +name: nitrogen-15 atom +namespace: chebi_ontology +def: "The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen." [] +subset: 3_STAR +synonym: "(15)7N" RELATED [IUPAC] +synonym: "(15)N" RELATED [IUPAC] +synonym: "nitrogen, isotope of mass 15" RELATED [ChemIDplus] +synonym: "nitrogen-15" EXACT IUPAC_NAME [IUPAC] +synonym: "nitrogen-15" RELATED [ChEBI] +xref: CAS:14390-96-6 {source="ChemIDplus"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[15N]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QJGQUHMNIGDVPM-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "15.000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.00011" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[15N]" xsd:string + +[Term] +id: CHEBI:36938 +name: nitrogen-14 atom +namespace: chebi_ontology +def: "The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen." [] +subset: 3_STAR +synonym: "(14)7N" RELATED [IUPAC] +synonym: "(14)N" RELATED [IUPAC] +synonym: "nitrogen-14" EXACT IUPAC_NAME [IUPAC] +synonym: "nitrogen-14" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[14N]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QJGQUHMNIGDVPM-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "14.003" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[14N]" xsd:string + +[Term] +id: CHEBI:36940 +name: fluorine-19 atom +namespace: chebi_ontology +def: "The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(19)9F" RELATED [IUPAC] +synonym: "(19)F" RELATED [ChEBI] +synonym: "fluorine-19" EXACT IUPAC_NAME [IUPAC] +synonym: "fluorine-19" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[19F]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/F/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCKRFDGAMUMZLT-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "18.998" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99840" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[19F]" xsd:string + +[Term] +id: CHEBI:37968 +name: aluminium-27 atom +namespace: chebi_ontology +def: "The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2." [] +subset: 3_STAR +synonym: "(27)13Al" RELATED [IUPAC] +synonym: "(27)Al" RELATED [IUPAC] +synonym: "aluminium-27" EXACT IUPAC_NAME [IUPAC] +synonym: "aluminium-27" RELATED [ChEBI] +synonym: "aluminum, isotope of mass 27" RELATED [ChEBI] +synonym: "aluminum-27" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[27Al]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XAGFODPZIPBFFR-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "26.982" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.98154" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[27Al]" xsd:string + +[Term] +id: CHEBI:37971 +name: phosphorus-31 atom +namespace: chebi_ontology +def: "The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(31)15P" RELATED [IUPAC] +synonym: "(31)P" RELATED [IUPAC] +synonym: "phosphorus-31" EXACT IUPAC_NAME [IUPAC] +synonym: "phosphorus-31" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[31P]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAICVXFJPJFONN-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "30.974" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.97376" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[31P]" xsd:string + +[Term] +id: CHEBI:37974 +name: silicon-29 atom +namespace: chebi_ontology +def: "The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(29)14Si" RELATED [IUPAC] +synonym: "(29)Si" RELATED [IUPAC] +synonym: "silicon-29" EXACT IUPAC_NAME [IUPAC] +synonym: "silicon-29" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[29Si]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Si/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUIMIQQOPSSXEZ-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "28.976" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.97649" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[29Si]" xsd:string + +[Term] +id: CHEBI:37980 +name: sulfur-33 atom +namespace: chebi_ontology +def: "The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2." [] +subset: 3_STAR +synonym: "(33)16S" RELATED [IUPAC] +synonym: "(33)S" RELATED [IUPAC] +synonym: "sulfur, isotope of mass 33" RELATED [ChemIDplus] +synonym: "sulfur-33" EXACT IUPAC_NAME [IUPAC] +synonym: "sulfur-33" RELATED [ChEBI] +synonym: "sulphur-33" RELATED [ChEBI] +xref: CAS:14257-58-0 {source="ChemIDplus"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[33S]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NINIDFKCEFEMDL-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "32.971" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97146" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[33S]" xsd:string + +[Term] +id: CHEBI:38472 +name: acetonitrile +namespace: chebi_ontology +alt_id: CHEBI:22185 +alt_id: CHEBI:30972 +alt_id: CHEBI:41432 +def: "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group." [] +subset: 3_STAR +synonym: "ACETONITRILE" EXACT [PDBeChem] +synonym: "acetonitrile" EXACT IUPAC_NAME [IUPAC] +synonym: "CH3-C#N" RELATED [IUPAC] +synonym: "cyanomethane" RELATED [NIST_Chemistry_WebBook] +synonym: "ethanenitrile" RELATED [NIST_Chemistry_WebBook] +synonym: "MeCN" RELATED [IUPAC] +synonym: "methyl cyanide" RELATED [IUPAC] +synonym: "NCMe" RELATED [ChEBI] +xref: Beilstein:741857 {source="Beilstein"} +xref: CAS:75-05-8 {source="ChemIDplus"} +xref: CAS:75-05-8 {source="NIST Chemistry WebBook"} +xref: Gmelin:895 {source="Gmelin"} +xref: PDBeChem:CCN +xref: PMID:17347819 {source="Europe PMC"} +xref: PMID:19100763 {source="Europe PMC"} +xref: PMID:20370615 {source="Europe PMC"} +xref: PMID:985423 {source="Europe PMC"} +xref: PPDB:1349 +xref: Reaxys:741857 {source="Reaxys"} +xref: Wikipedia:Acetonitrile +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H3N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H3N/c1-2-3/h1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WEVYAHXRMPXWCK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "41.05196" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.02655" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC#N" xsd:string + +[Term] +id: CHEBI:38585 +name: 1,4-difluorobenzene +namespace: chebi_ontology +subset: 3_STAR +synonym: "1,4-Difluorbenzol" RELATED [ChEBI] +synonym: "1,4-difluorobenzene" EXACT IUPAC_NAME [IUPAC] +synonym: "p-difluorobenzene" RELATED [ChemIDplus] +synonym: "para-difluorobenzene" RELATED [NIST_Chemistry_WebBook] +xref: Beilstein:1904541 {source="Beilstein"} +xref: CAS:540-36-3 {source="ChemIDplus"} +xref: CAS:540-36-3 {source="NIST Chemistry WebBook"} +xref: Gmelin:142070 {source="Gmelin"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H4F2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUGUFLJIAFISSW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "114.09277" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.02811" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccc(F)cc1" xsd:string + +[Term] +id: CHEBI:38589 +name: hexafluorobenzene +namespace: chebi_ontology +def: "A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine." [] +subset: 3_STAR +synonym: "1,2,3,4,5,6-hexafluorobenzene" RELATED [NIST_Chemistry_WebBook] +synonym: "Hexafluorbenzol" RELATED [ChEBI] +synonym: "hexafluorobenzene" EXACT IUPAC_NAME [IUPAC] +synonym: "perfluorobenzene" RELATED [ChemIDplus] +xref: Beilstein:1683438 {source="Beilstein"} +xref: CAS:392-56-3 {source="NIST Chemistry WebBook"} +xref: CAS:392-56-3 {source="ChemIDplus"} +xref: Gmelin:101976 {source="Gmelin"} +xref: PMID:23869742 {source="Europe PMC"} +xref: PMID:24050348 {source="Europe PMC"} +xref: PMID:25416887 {source="Europe PMC"} +xref: PMID:26910443 {source="Europe PMC"} +xref: PMID:27043131 {source="Europe PMC"} +xref: PMID:27133442 {source="Europe PMC"} +xref: PMID:27557055 {source="Europe PMC"} +xref: PMID:33582441 {source="Europe PMC"} +xref: PMID:33938749 {source="Europe PMC"} +xref: PMID:37272941 {source="Europe PMC"} +xref: PMID:38193267 {source="Europe PMC"} +xref: PMID:38221873 {source="Europe PMC"} +xref: Wikipedia:Hexafluorobenzene +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6F6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQBFAOFFOQMSGJ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "186.05462" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "185.99042" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1c(F)c(F)c(F)c(F)c1F" xsd:string + +[Term] +id: CHEBI:39429 +name: hexafluoroacetone +namespace: chebi_ontology +def: "A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups." [] +subset: 3_STAR +synonym: "(CF3)2CO" RELATED [NIST_Chemistry_WebBook] +synonym: "1,1,1,3,3,3-hexafluoro-2-propanone" RELATED [ChemIDplus] +synonym: "1,1,1,3,3,3-hexafluoroacetone" EXACT IUPAC_NAME [IUPAC] +synonym: "6FK" RELATED [ChemIDplus] +synonym: "hexafluoropropanone" RELATED [NIST_Chemistry_WebBook] +synonym: "perfluoro-2-propanone" RELATED [ChemIDplus] +synonym: "perfluoroacetone" RELATED [ChemIDplus] +xref: CAS:684-16-2 {source="ChemIDplus"} +xref: CAS:684-16-2 {source="NIST Chemistry WebBook"} +xref: Gmelin:27263 {source="Gmelin"} +xref: Patent:CN102964231 +xref: Patent:CN102976908 +xref: PMID:22481381 {source="Europe PMC"} +xref: PMID:24186328 {source="Europe PMC"} +xref: Reaxys:607236 {source="Reaxys"} +xref: Wikipedia:Hexafluoroacetone +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3F6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VBZWSGALLODQNC-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "166.02192" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.98533" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(F)(F)C(=O)C(F)(F)F" xsd:string + +[Term] +id: CHEBI:41981 +name: dideuterium oxide +namespace: chebi_ontology +alt_id: CHEBI:29373 +alt_id: CHEBI:41979 +subset: 3_STAR +synonym: "((2)H2)water" RELATED [IUPAC] +synonym: "[OD2]" RELATED [MolBase] +synonym: "D2O" RELATED [IUPAC] +synonym: "DEUTERATED WATER" RELATED [PDBeChem] +synonym: "deuterium oxide" RELATED [ChemIDplus] +synonym: "Deuteriumoxid" RELATED [ChEBI] +synonym: "dideuterium oxide" EXACT IUPAC_NAME [IUPAC] +synonym: "heavy water" RELATED [NIST_Chemistry_WebBook] +synonym: "schweres Wasser" RELATED [ChEBI] +xref: CAS:7789-20-0 {source="NIST Chemistry WebBook"} +xref: CAS:7789-20-0 {source="ChemIDplus"} +xref: Gmelin:97 {source="Gmelin"} +xref: MolBase:1647 +xref: PDBeChem:DOD +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:0002125 ! 17O spectrum chemical shift reference compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "D2O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O/h1H2/i/hD2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLYOFNOQVPJJNP-ZSJDYOACSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "20.027" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "20.02312" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]O[2H]" xsd:string + +[Term] +id: CHEBI:45892 +name: trifluoroacetic acid +namespace: chebi_ontology +alt_id: CHEBI:27111 +def: "A monocarboxylic acid that is the trifluoro derivative of acetic acid." [] +subset: 3_STAR +synonym: "acide trifluoroacetique" RELATED [ChEBI] +synonym: "CF3COOH" RELATED [NIST_Chemistry_WebBook] +synonym: "perfluoroacetic acid" RELATED [NIST_Chemistry_WebBook] +synonym: "TFA" RELATED [ChEBI] +synonym: "Trifluoressigsaeure" RELATED [ChEBI] +synonym: "trifluoroacetic acid" EXACT IUPAC_NAME [IUPAC] +xref: CAS:76-05-1 {source="ChemIDplus"} +xref: CAS:76-05-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:2729 {source="Gmelin"} +xref: HMDB:HMDB0014118 +xref: PMID:11498800 {source="Europe PMC"} +xref: PMID:7696372 {source="Europe PMC"} +xref: Reaxys:742035 {source="Reaxys"} +xref: Wikipedia:Trifluoroacetic_acid +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2HF3O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DTQVDTLACAAQTR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "114.02335" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.99286" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(F)(F)F" xsd:string + +[Term] +id: CHEBI:4610 +name: dimethylselenide +namespace: chebi_ontology +def: "An organoselenium compound of two methyl groups covalently bound to a selenium." [] +subset: 3_STAR +synonym: "(CH3)2Se" RELATED [NIST_Chemistry_WebBook] +synonym: "(methylselanyl)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "dimethyl selenide" EXACT IUPAC_NAME [IUPAC] +synonym: "Dimethylselenium" RELATED [ChemIDplus] +synonym: "Methyl selenide" RELATED [ChemIDplus] +synonym: "Methyl selenium" RELATED [ChemIDplus] +synonym: "Selenium dimethyl" RELATED [NIST_Chemistry_WebBook] +synonym: "Selenobismethane" RELATED [HMDB] +xref: CAS:593-79-3 {source="NIST Chemistry WebBook"} +xref: CAS:593-79-3 {source="ChemIDplus"} +xref: CAS:593-79-3 {source="KEGG COMPOUND"} +xref: HMDB:HMDB0033212 +xref: KEGG:C02535 +xref: MetaCyc:CPD-12005 +xref: PMID:15150252 {source="Europe PMC"} +xref: PMID:15233545 {source="Europe PMC"} +xref: PMID:1652783 {source="Europe PMC"} +xref: PMID:20152423 {source="Europe PMC"} +xref: PMID:21069149 {source="Europe PMC"} +xref: PMID:23454698 {source="Europe PMC"} +xref: PMID:23590617 {source="Europe PMC"} +xref: PMID:24241025 {source="Europe PMC"} +xref: PMID:4851946 {source="Europe PMC"} +xref: PMID:5079352 {source="Europe PMC"} +xref: PMID:8179331 {source="Europe PMC"} +xref: Reaxys:1696848 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002086 ! 77Se spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Se" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6Se/c1-3-2/h1-2H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RVIXKDRPFPUUOO-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "109.03000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.96347" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Se]C" xsd:string + +[Term] +id: CHEBI:4613 +name: dimethyl telluride +namespace: chebi_ontology +def: "An organotellurium compound in which the tellurium atom is covalently bonded to two methyl groups. A xenobiotic metabolite produced by certain strains of bacteria exposed to tellurium containing compounds." [] +subset: 3_STAR +synonym: "Dimethyl telluride" EXACT [KEGG_COMPOUND] +synonym: "dimethyl telluride" EXACT IUPAC_NAME [IUPAC] +synonym: "dimethyltellane" EXACT IUPAC_NAME [IUPAC] +synonym: "Dimethyltelluride" RELATED [NIST_Chemistry_WebBook] +synonym: "dimethyltellurium" EXACT IUPAC_NAME [IUPAC] +synonym: "TeMe2" RELATED [IUPAC] +xref: CAS:593-80-6 {source="ChemIDplus"} +xref: CAS:593-80-6 {source="NIST Chemistry WebBook"} +xref: CAS:593-80-6 {source="KEGG COMPOUND"} +xref: Gmelin:1480 {source="Gmelin"} +xref: KEGG:C02677 +xref: PMID:5079352 {source="Europe PMC"} +xref: PMID:9096851 {source="Europe PMC"} +xref: Reaxys:1696849 {source="Reaxys"} +xref: Wikipedia:Dimethyl_telluride +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002096 ! 123Te spectrum chemical shift reference compound +is_a: NMR:0002097 ! 125Te spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6Te" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6Te/c1-3-2/h1-2H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YMUZFVVKDBZHGP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "157.66904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "159.95317" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Te]C" xsd:string + +[Term] +id: CHEBI:46324 +name: trimethyl phosphate +namespace: chebi_ontology +def: "A trialkyl phosphate that is the trimethyl ester of phosphoric acid." [] +subset: 3_STAR +synonym: "O,O,O-Trimethyl phosphate" RELATED [ChemIDplus] +synonym: "Phosphoric acid, trimethyl ester" RELATED [ChemIDplus] +synonym: "TMP" RELATED [ChemIDplus] +synonym: "TMPA" RELATED [ChemIDplus] +synonym: "TMPO" RELATED [ChemIDplus] +synonym: "Trimethoxyphosphine oxide" RELATED [ChemIDplus] +synonym: "Trimethyl orthophosphate" RELATED [ChemIDplus] +synonym: "TRIMETHYL PHOSPHATE" EXACT [PDBeChem] +synonym: "trimethyl phosphate" EXACT IUPAC_NAME [IUPAC] +xref: CAS:512-56-1 {source="ChemIDplus"} +xref: CAS:512-56-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:49926 {source="Gmelin"} +xref: PDBeChem:TZZ +xref: PMID:17083219 {source="Europe PMC"} +xref: PMID:18409209 {source="Europe PMC"} +xref: Reaxys:1071731 {source="Reaxys"} +xref: Wikipedia:Trimethyl_phosphate +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000058 ! 31P spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H9O4P" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WVLBCYQITXONBZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "140.07492" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "140.02385" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "COP(=O)(OC)OC" xsd:string + +[Term] +id: CHEBI:47032 +name: 1,4-dioxane +namespace: chebi_ontology +alt_id: CHEBI:34064 +alt_id: CHEBI:41951 +alt_id: CHEBI:46925 +def: "A dioxane with oxygen atoms at positions 1 and 4." [] +subset: 3_STAR +synonym: "1,4-DIETHYLENE DIOXIDE" RELATED [PDBeChem] +synonym: "1,4-dioxacyclohexane" RELATED [ChemIDplus] +synonym: "1,4-Dioxan" RELATED [NIST_Chemistry_WebBook] +synonym: "1,4-Dioxane" EXACT [KEGG_COMPOUND] +synonym: "1,4-dioxane" EXACT IUPAC_NAME [IUPAC] +synonym: "di(ethylene oxide)" RELATED [ChemIDplus] +synonym: "Dioxan-1,4" RELATED [ChemIDplus] +synonym: "dioxane-1,4" RELATED [ChemIDplus] +synonym: "glycol ethylene ether" RELATED [ChemIDplus] +synonym: "p-Dioxane" RELATED [KEGG_COMPOUND] +synonym: "tetrahydro-1,4-dioxin" RELATED [NIST_Chemistry_WebBook] +synonym: "tetrahydro-p-dioxin" RELATED [ChemIDplus] +synonym: "tetrahydro-para-dioxin" RELATED [ChemIDplus] +xref: CAS:123-91-1 {source="ChemIDplus"} +xref: CAS:123-91-1 {source="NIST Chemistry WebBook"} +xref: CAS:123-91-1 {source="KEGG COMPOUND"} +xref: DrugBank:DB03316 +xref: KEGG:C14440 +xref: LINCS:LSM-37087 +xref: PDBeChem:DIO +xref: PMID:14550759 {source="Europe PMC"} +xref: PMID:18044507 {source="Europe PMC"} +xref: PMID:20598439 {source="Europe PMC"} +xref: PPDB:1638 +xref: Reaxys:102551 {source="Reaxys"} +xref: Wikipedia:1\,4-Dioxane +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8O2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.10512" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.05243" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1COCCO1" xsd:string + +[Term] +id: CHEBI:48236 +name: trichlorofluoromethane +namespace: chebi_ontology +def: "A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom." [] +subset: 3_STAR +synonym: "CFC-11" RELATED [ChemIDplus] +synonym: "Eskimon 11" RELATED [ChemIDplus] +synonym: "fluorochloroform" RELATED [ChemIDplus] +synonym: "fluorotrichloromethane" RELATED [NIST_Chemistry_WebBook] +synonym: "Freon 11" RELATED [ChemIDplus] +synonym: "monofluorotrichloromethane" RELATED [NIST_Chemistry_WebBook] +synonym: "R-11" RELATED [ChemIDplus] +synonym: "Refrigerant 11" RELATED [ChemIDplus] +synonym: "trichloro(fluoro)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "trichlorofluorocarbon" RELATED [ChemIDplus] +synonym: "trichlorofluoromethane" EXACT [ChemIDplus] +synonym: "trichloromonofluoromethane" RELATED [ChemIDplus] +xref: CAS:75-69-4 {source="ChemIDplus"} +xref: CAS:75-69-4 {source="NIST Chemistry WebBook"} +xref: PMID:1114326 {source="Europe PMC"} +xref: PMID:24189105 {source="Europe PMC"} +xref: PMID:5727092 {source="Europe PMC"} +xref: PMID:8006631 {source="Europe PMC"} +xref: Reaxys:1732469 {source="Reaxys"} +xref: Wikipedia:Trichlorofluoromethane +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002083 ! 19F spectrum chemical shift reference compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CCl3F" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CCl3F/c2-1(3,4)5" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "137.36720" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.90496" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "FC(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:48607 +name: lithium chloride +namespace: chebi_ontology +def: "A metal chloride salt with a Li(+) counterion." [] +subset: 3_STAR +synonym: "chlorure de lithium" RELATED [NIST_Chemistry_WebBook] +synonym: "cloruro de litio" RELATED [ChEBI] +synonym: "LiCl" RELATED [IUPAC] +synonym: "lithii chloridum" RELATED [ChEBI] +synonym: "lithium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Lithiumchlorid" RELATED [ChEBI] +xref: CAS:7447-41-8 {source="NIST Chemistry WebBook"} +xref: CAS:7447-41-8 {source="ChemIDplus"} +xref: PMID:21301855 {source="Europe PMC"} +xref: PMID:24398558 {source="Europe PMC"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002131 ! 7Li spectrum chemical shift reference compound +is_a: NMR:0002132 ! 6Li spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClLi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Li/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGKDLIKAYFUFQ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "42.39370" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98486" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+].[Cl-]" xsd:string + +[Term] +id: CHEBI:49696 +name: krypton atom +namespace: chebi_ontology +alt_id: CHEBI:33312 +subset: 3_STAR +synonym: "36Kr" RELATED [IUPAC] +synonym: "cripton" RELATED [ChEBI] +synonym: "Kr" RELATED [IUPAC] +synonym: "kripton" RELATED [ChEBI] +synonym: "krypton" EXACT IUPAC_NAME [IUPAC] +synonym: "krypton" RELATED [ChEBI] +xref: CAS:7439-90-9 {source="ChemIDplus"} +xref: CAS:7439-90-9 {source="NIST Chemistry WebBook"} +xref: WebElements:Kr +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002143 ! 83Kr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Kr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Kr" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DNNSSWSSYDEUBZ-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "83.80000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.91150" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Kr]" xsd:string + +[Term] +id: CHEBI:51086 +name: chemical role +namespace: chebi_ontology +def: "A role played by the molecular entity or part thereof within a chemical context." [] +subset: 3_STAR +is_a: BFO:0000023 ! role + +[Term] +id: CHEBI:5115 +name: monofluorobenzene +namespace: chebi_ontology +def: "The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent." [] +subset: 3_STAR +synonym: "Fluorbenzol" RELATED [ChEBI] +synonym: "Fluorobenzene" RELATED [KEGG_COMPOUND] +synonym: "fluorobenzene" EXACT IUPAC_NAME [IUPAC] +synonym: "monofluorobenzene" EXACT [NIST_Chemistry_WebBook] +synonym: "phenyl fluoride" RELATED [NIST_Chemistry_WebBook] +xref: CAS:462-06-6 {source="NIST Chemistry WebBook"} +xref: CAS:462-06-6 {source="ChemIDplus"} +xref: CAS:462-06-6 {source="KEGG COMPOUND"} +xref: Gmelin:49856 {source="Gmelin"} +xref: KEGG:C11272 +xref: Patent:CN101224914 +xref: Patent:US4390740 +xref: PMID:22976426 {source="Europe PMC"} +xref: PMID:24060903 {source="Europe PMC"} +xref: Reaxys:1236623 {source="Reaxys"} +xref: Wikipedia:Fluorobenzene +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5F" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "96.10230" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.03753" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "Fc1ccccc1" xsd:string + +[Term] +id: CHEBI:52230 +name: tin-119 atom +namespace: chebi_ontology +def: "The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(119)50Sn" RELATED [IUPAC] +synonym: "(119)Sn" RELATED [IUPAC] +synonym: "tin-119" EXACT IUPAC_NAME [IUPAC] +synonym: "tin-119" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[119Sn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "118.903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.90331" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[119Sn]" xsd:string + +[Term] +id: CHEBI:52234 +name: tin-117 atom +namespace: chebi_ontology +def: "The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(117)50Sn" RELATED [IUPAC] +synonym: "(117)Sn" RELATED [IUPAC] +synonym: "tin-117" EXACT IUPAC_NAME [IUPAC] +synonym: "tin-117" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[117Sn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/i1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-YPZZEJLDSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "116.903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.90295" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[117Sn]" xsd:string + +[Term] +id: CHEBI:52235 +name: tin-115 atom +namespace: chebi_ontology +def: "The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2." [] +subset: 3_STAR +synonym: "(115)50Sn" RELATED [IUPAC] +synonym: "(115)Sn" RELATED [IUPAC] +synonym: "tin-115" EXACT IUPAC_NAME [IUPAC] +synonym: "tin-115" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[115Sn]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/i1-4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ATJFFYVFTNAWJD-AHCXROLUSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "114.903" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "114.90334" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[115Sn]" xsd:string + +[Term] +id: CHEBI:52452 +name: tellurium-125 atom +namespace: chebi_ontology +def: "The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(125)52Te" RELATED [IUPAC] +synonym: "(125)Te" RELATED [IUPAC] +synonym: "tellurium-125" EXACT IUPAC_NAME [IUPAC] +synonym: "tellurium-125" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[125Te]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Te/i1-3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PORWMNRCUJJQNO-OIOBTWANSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "124.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.90443" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[125Te]" xsd:string + +[Term] +id: CHEBI:52453 +name: xenon-129 atom +namespace: chebi_ontology +def: "The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(129)54Xe" RELATED [IUPAC] +synonym: "(129)Xe" RELATED [IUPAC] +synonym: "xenon-129" EXACT IUPAC_NAME [IUPAC] +synonym: "xenon-129" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33259 ! elemental molecular entity +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[129Xe]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Xe/i1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FHNFHKCVQCLJFQ-YPZZEJLDSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "128.905" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "128.90478" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[129Xe]" xsd:string + +[Term] +id: CHEBI:52457 +name: selenium-77 atom +namespace: chebi_ontology +def: "A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "((77)Se)selenium" EXACT IUPAC_NAME [IUPAC] +synonym: "(77)34Se" RELATED [IUPAC] +synonym: "(77)Se" RELATED [IUPAC] +synonym: "Se-77" RELATED [ChEBI] +synonym: "selenium, isotope of mass 77" RELATED [ChEBI] +synonym: "selenium-(77)Se" RELATED [ChEBI] +synonym: "selenium-77" RELATED [ChEBI] +xref: Chemspider:9507361 +xref: PMID:16158304 {source="Europe PMC"} +xref: PMID:23159557 {source="Europe PMC"} +xref: PMID:25848959 {source="Europe PMC"} +xref: PMID:25923042 {source="Europe PMC"} +xref: PMID:27129100 {source="Europe PMC"} +xref: PMID:30828921 {source="Europe PMC"} +xref: PMID:32453871 {source="Europe PMC"} +xref: PMID:34153173 {source="Europe PMC"} +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[77Se]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Se/i1-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BUGBHKTXTAQXES-YPZZEJLDSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "76.920" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "76.91991" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[77Se]" xsd:string + +[Term] +id: CHEBI:52458 +name: lithium-7 atom +namespace: chebi_ontology +def: "The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(7)3Li" RELATED [IUPAC] +synonym: "(7)Li" RELATED [IUPAC] +synonym: "lithium-7" EXACT IUPAC_NAME [IUPAC] +synonym: "lithium-7" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[7Li]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHXSMMKQMYFTQS-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "7.016" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "7.01600" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[7Li]" xsd:string + +[Term] +id: CHEBI:52459 +name: rubidium-87 atom +namespace: chebi_ontology +def: "The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(87)37Rb" RELATED [IUPAC] +synonym: "(87)Rb" RELATED [IUPAC] +synonym: "rubidium-87" EXACT IUPAC_NAME [IUPAC] +synonym: "rubidium-87" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[87Rb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rb/i1+2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IGLNJRXAVVLDKE-NJFSPNSNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "86.909" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "86.90918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[87Rb]" xsd:string + +[Term] +id: CHEBI:52460 +name: niobium-93 atom +namespace: chebi_ontology +def: "The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2." [] +subset: 3_STAR +synonym: "(93)41Nb" RELATED [IUPAC] +synonym: "(93)Nb" RELATED [IUPAC] +synonym: "niobium-93" EXACT IUPAC_NAME [IUPAC] +synonym: "niobium-93" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[93Nb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Nb/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUCVJGMIXFAOAE-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "92.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.90637" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[93Nb]" xsd:string + +[Term] +id: CHEBI:52462 +name: tungsten-183 +namespace: chebi_ontology +def: "The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(183)74W" RELATED [IUPAC] +synonym: "(183)W" RELATED [IUPAC] +synonym: "tungsten-183" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[183W]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/W/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WFKWXMTUELFFGS-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "182.950" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.95022" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[183W]" xsd:string + +[Term] +id: CHEBI:52619 +name: cadmium-111 +namespace: chebi_ontology +def: "The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(111)48Cd" RELATED [IUPAC] +synonym: "(111)Cd" RELATED [IUPAC] +synonym: "cadmium-111" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[111Cd]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cd/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDOSMKKIYDKNTQ-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "110.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.90418" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[111Cd]" xsd:string + +[Term] +id: CHEBI:52620 +name: cadmium-113 +namespace: chebi_ontology +def: "The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(113)48Cd" RELATED [IUPAC] +synonym: "(113)Cd" RELATED [IUPAC] +synonym: "cadmium-113" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[113Cd]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cd/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BDOSMKKIYDKNTQ-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "112.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "112.90441" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[113Cd]" xsd:string + +[Term] +id: CHEBI:52621 +name: lithium-6 atom +namespace: chebi_ontology +def: "The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1." [] +subset: 3_STAR +synonym: "(6)3Li" RELATED [IUPAC] +synonym: "(6)Li" RELATED [IUPAC] +synonym: "lithium-6" EXACT IUPAC_NAME [IUPAC] +synonym: "lithium-6" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[6Li]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHXSMMKQMYFTQS-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "6.015" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "6.01512" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[6Li]" xsd:string + +[Term] +id: CHEBI:52622 +name: yttrium-89 atom +namespace: chebi_ontology +def: "The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(89)39Y" RELATED [IUPAC] +synonym: "(89)Y" RELATED [IUPAC] +synonym: "yttrium-89" EXACT IUPAC_NAME [IUPAC] +synonym: "yttrium-89" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[89Y]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Y/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWQVUPCCIRVNHF-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.90584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[89Y]" xsd:string + +[Term] +id: CHEBI:52623 +name: iron-57 atom +namespace: chebi_ontology +def: "The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2." [] +subset: 3_STAR +synonym: "(57)26Fe" RELATED [IUPAC] +synonym: "(57)Fe" RELATED [IUPAC] +synonym: "iron-57" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[57Fe]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XEEYBQQBJWHFJM-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "56.935" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "56.93539" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[57Fe]" xsd:string + +[Term] +id: CHEBI:52624 +name: antimony-121 atom +namespace: chebi_ontology +def: "The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(121)51Sb" RELATED [IUPAC] +synonym: "(121)Sb" RELATED [IUPAC] +synonym: "antimony-121" EXACT IUPAC_NAME [IUPAC] +synonym: "antimony-121" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[121Sb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WATWJIUSRGPENY-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "120.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.90381" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[121Sb]" xsd:string + +[Term] +id: CHEBI:52626 +name: antimony-123 atom +namespace: chebi_ontology +def: "The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "(123)51Sb" RELATED [IUPAC] +synonym: "(123)Sb" RELATED [IUPAC] +synonym: "antimony-123" EXACT IUPAC_NAME [IUPAC] +synonym: "antimony-123" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +is_a: CHEBI:33579 ! main group molecular entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[123Sb]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WATWJIUSRGPENY-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "122.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.90421" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[123Sb]" xsd:string + +[Term] +id: CHEBI:52627 +name: lanthanum-139 atom +namespace: chebi_ontology +def: "The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "(139)57La" RELATED [IUPAC] +synonym: "(139)La" RELATED [IUPAC] +synonym: "lanthanum-139" EXACT IUPAC_NAME [IUPAC] +synonym: "lanthanum-139" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[139La]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/La/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZLIPJUXYLNCLC-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "138.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.90636" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[139La]" xsd:string + +[Term] +id: CHEBI:52631 +name: iodine-127 atom +namespace: chebi_ontology +def: "The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(127)53I" RELATED [IUPAC] +synonym: "(127)I" RELATED [IUPAC] +synonym: "iodine-127" EXACT IUPAC_NAME [IUPAC] +synonym: "iodine-127" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[127I]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/I/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCYVEMRRCGMTRW-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "126.904" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90447" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[127I]" xsd:string + +[Term] +id: CHEBI:52632 +name: potassium-39 atom +namespace: chebi_ontology +def: "The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(39)19K" RELATED [IUPAC] +synonym: "(39)K" RELATED [IUPAC] +synonym: "potassium-39" EXACT IUPAC_NAME [IUPAC] +synonym: "potassium-39" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[39K]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLMJMSJWJFRBEC-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "38.964" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96371" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[39K]" xsd:string + +[Term] +id: CHEBI:52633 +name: molybdenum-95 +namespace: chebi_ontology +def: "The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(95)42Mo" RELATED [IUPAC] +synonym: "(95)Mo" RELATED [IUPAC] +synonym: "molybdenum-95" EXACT IUPAC_NAME [IUPAC] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[95Mo]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZOKXTWBITQBERF-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "94.906" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "94.90584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[95Mo]" xsd:string + +[Term] +id: CHEBI:52634 +name: sodium-23 atom +namespace: chebi_ontology +def: "The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(23)11Na" RELATED [IUPAC] +synonym: "(23)Na" RELATED [IUPAC] +synonym: "sodium-23" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium-23" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[23Na]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEAYESYHFKHZAL-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "22.990" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98977" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[23Na]" xsd:string + +[Term] +id: CHEBI:52635 +name: scandium-45 atom +namespace: chebi_ontology +def: "The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2." [] +subset: 3_STAR +synonym: "(45)21Sc" RELATED [IUPAC] +synonym: "(45)Sc" RELATED [IUPAC] +synonym: "scandium-45" EXACT IUPAC_NAME [IUPAC] +synonym: "scandium-45" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[45Sc]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sc/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SIXSYDAISGFNSX-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "44.956" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.95591" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[45Sc]" xsd:string + +[Term] +id: CHEBI:52743 +name: bromine-79 atom +namespace: chebi_ontology +def: "The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2." [] +subset: 3_STAR +synonym: "(79)35Br" RELATED [IUPAC] +synonym: "(79)Br" RELATED [IUPAC] +synonym: "bromine-79" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[79Br]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Br/i1-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WKBOTKDWSSQWDR-BJUDXGSMSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "78.918" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91834" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[79Br]" xsd:string + +[Term] +id: CHEBI:52758 +name: germanium-73 atom +namespace: chebi_ontology +def: "The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2." [] +subset: 3_STAR +synonym: "(73)32Ge" RELATED [IUPAC] +synonym: "(73)Ge" RELATED [IUPAC] +synonym: "germanium-73" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[73Ge]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ge/i1+0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GNPVGFCGXDBREM-IGMARMGPSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "72.923" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "72.92346" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[73Ge]" xsd:string + +[Term] +id: CHEBI:52763 +name: magnesium-25 atom +namespace: chebi_ontology +def: "The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2." [] +subset: 3_STAR +synonym: "(25)12Mg" RELATED [IUPAC] +synonym: "(25)Mg" RELATED [IUPAC] +synonym: "magnesium-25" RELATED [ChEBI] +is_a: CHEBI:33250 ! atom +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "[25Mg]" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mg/i1+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FYYHWMGAXLPEAU-OUBTZVSYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "24.986" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "24.98584" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[25Mg]" xsd:string + +[Term] +id: CHEBI:53473 +name: beryllium sulfate +namespace: chebi_ontology +def: "A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1." [] +subset: 3_STAR +synonym: "Beryllium sulfate" EXACT [ChemIDplus] +synonym: "beryllium sulfate" EXACT IUPAC_NAME [IUPAC] +synonym: "Beryllium sulphate" RELATED [ChemIDplus] +synonym: "beryllium(II) sulfate" RELATED [ChEBI] +synonym: "BeSO4" RELATED [NIST_Chemistry_WebBook] +xref: CAS:13510-49-1 {source="ChemIDplus"} +xref: CAS:13510-49-1 {source="NIST Chemistry WebBook"} +xref: Gmelin:8296 {source="Gmelin"} +xref: Patent:US4316840 +xref: Patent:US4394524 +xref: Patent:US5436364 +xref: PMID:11207315 {source="Europe PMC"} +xref: PMID:11423174 {source="Europe PMC"} +xref: PMID:11678613 {source="Europe PMC"} +xref: PMID:11897645 {source="Europe PMC"} +xref: PMID:16951350 {source="Europe PMC"} +xref: PMID:18250483 {source="Europe PMC"} +xref: PMID:18768897 {source="Europe PMC"} +xref: PMID:20549306 {source="Europe PMC"} +xref: PMID:2179717 {source="Europe PMC"} +xref: PMID:2469014 {source="Europe PMC"} +xref: PMID:2930060 {source="Europe PMC"} +xref: PMID:2954196 {source="Europe PMC"} +xref: PMID:3498695 {source="Europe PMC"} +xref: PMID:3764912 {source="Europe PMC"} +xref: PMID:3824419 {source="Europe PMC"} +xref: PMID:7122994 {source="Europe PMC"} +xref: PMID:8991630 {source="Europe PMC"} +xref: Reaxys:13316867 {source="Reaxys"} +xref: Wikipedia:Beryllium_sulfate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002130 ! 9Be spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BeO4S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KQHXBDOEECKORE-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "105.07500" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.96391" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Be++].[O-]S([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:55317 +name: tetramethylammonium bromide +namespace: chebi_ontology +def: "The bromide salt of tetramethylammonium." [] +subset: 3_STAR +synonym: "N,N,N-trimethylmethanaminium bromide" EXACT IUPAC_NAME [IUPAC] +synonym: "TMAB" RELATED [NIST_Chemistry_WebBook] +xref: CAS:64-20-0 {source="ChemIDplus"} +xref: CAS:64-20-0 {source="NIST Chemistry WebBook"} +xref: PMID:24804652 {source="Europe PMC"} +xref: PMID:6196640 {source="Europe PMC"} +xref: Reaxys:3620955 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12BrN" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DDFYFBUWEBINLX-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "154.04900" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.01531" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Br-].C[N+](C)(C)C" xsd:string + +[Term] +id: CHEBI:59606 +name: sodium hexachloroplatinate +namespace: chebi_ontology +def: "An inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-) anions." [] +subset: 3_STAR +synonym: "Disodium hexachloroplatinate" RELATED [ChemIDplus] +synonym: "sodium hexachloridoplatinate(2-)" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium hexachloridoplatinate(IV)" EXACT IUPAC_NAME [IUPAC] +xref: CAS:16923-58-3 {source="ChemIDplus"} +xref: PMID:2936374 {source="Europe PMC"} +xref: PMID:6541706 {source="Europe PMC"} +xref: Reaxys:11322243 {source="Reaxys"} +xref: Wikipedia:Sodium_hexachloroplatinate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002101 ! 195Pt spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl6Na2Pt" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QGFSULIVEYGQQY-UHFFFAOYSA-H" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "453.78200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "450.75745" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:59999 +name: chemical substance +namespace: chebi_ontology +def: "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." [] +subset: 3_STAR +synonym: "Chemische Substanz" RELATED [ChEBI] +is_a: BFO:0000040 ! material entity + +[Term] +id: CHEBI:62946 +name: ammonium sulfate +namespace: chebi_ontology +def: "An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils." [] +subset: 3_STAR +synonym: "(NH4)2SO4" RELATED [ChEBI] +synonym: "ammonium sulfate (2:1)" RELATED [ChemIDplus] +synonym: "ammonium sulphate" RELATED [SUBMITTER] +synonym: "diammonium sulfate" RELATED [IUPAC] +synonym: "diazanium sulfate" EXACT IUPAC_NAME [IUPAC] +synonym: "mascagnite" RELATED [ChemIDplus] +synonym: "sulfuric acid ammonium salt (1:2)" RELATED [ChemIDplus] +synonym: "sulfuric acid, diammonium salt" RELATED [ChemIDplus] +synonym: "sulphate of ammonia" RELATED [ChEBI] +xref: CAS:7783-20-2 {source="KEGG DRUG"} +xref: CAS:7783-20-2 {source="ChemIDplus"} +xref: KEGG:D08853 +xref: MetaCyc:NH42SO4 +xref: PMID:20556652 {source="Europe PMC"} +xref: PPDB:36 +xref: Reaxys:11343144 {source="Reaxys"} +xref: Wikipedia:Ammonium_sulfate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1400033 ! chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "H8N2O4S" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BFNBIHQBYMNNAN-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "132.14000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.02048" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH4+].[NH4+].[O-]S([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:63004 +name: sodium bromide +namespace: chebi_ontology +def: "An inorganic sodium salt having bromide as the counterion." [] +subset: 3_STAR +synonym: "Bromide salt of sodium" RELATED [ChemIDplus] +synonym: "Bromnatrium" RELATED [ChemIDplus] +synonym: "NaBr" RELATED [SUBMITTER] +synonym: "Trisodium tribromide" RELATED [ChemIDplus] +xref: CAS:7647-15-6 {source="ChemIDplus"} +xref: CAS:7647-15-6 {source="NIST Chemistry WebBook"} +xref: Wikipedia:Sodium_bromide +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002141 ! 79Br spectrum chemical shift reference compound +is_a: NMR:0002142 ! 81Br spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BrNa" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH.Na/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JHJLBTNAGRQEKS-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "102.89400" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "101.90811" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Br-]" xsd:string + +[Term] +id: CHEBI:63005 +name: sodium nitrate +namespace: chebi_ontology +def: "The inorganic nitrate salt of sodium." [] +subset: 3_STAR +synonym: "Chile saltpeter" RELATED [SUBMITTER] +synonym: "Cubic niter" RELATED [ChemIDplus] +synonym: "Niter" RELATED [ChemIDplus] +synonym: "Nitrate de sodium" RELATED [ChemIDplus] +synonym: "Nitrate of soda" RELATED [SUBMITTER] +synonym: "Nitrate of soda" RELATED [ChemIDplus] +synonym: "Nitric acid monosodium salt" RELATED [ChemIDplus] +synonym: "Nitric acid sodium salt (1:1)" RELATED [ChemIDplus] +synonym: "Nitric acid, sodium salt" RELATED [ChemIDplus] +synonym: "sodium nitrate" EXACT IUPAC_NAME [IUPAC] +synonym: "Sodium saltpeter" RELATED [ChemIDplus] +synonym: "sodium trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] +synonym: "Sodium(I) nitrate (1:1)" RELATED [ChemIDplus] +xref: CAS:7631-99-4 {source="ChemIDplus"} +xref: Reaxys:11343077 {source="Reaxys"} +xref: Wikipedia:Sodium_nitrate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "NNaO3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWDWKYIASSYTQR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "84.99470" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.97759" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-][N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:63317 +name: barium chloride +namespace: chebi_ontology +def: "The inorganic dichloride salt of barium." [] +subset: 3_STAR +synonym: "BaCl2" RELATED [MetaCyc] +synonym: "barium dichloride" EXACT IUPAC_NAME [IUPAC] +xref: CAS:10361-37-2 {source="ChemIDplus"} +xref: CAS:10361-37-2 {source="NIST Chemistry WebBook"} +xref: MetaCyc:CPD0-1592 +xref: PMID:21601246 {source="Europe PMC"} +xref: Reaxys:1209229 {source="Reaxys"} +xref: Reaxys:8128158 {source="Reaxys"} +xref: Wikipedia:Barium_chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002161 ! 135Ba spectrum chemical shift reference compound +is_a: NMR:0002162 ! 137Ba spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BaCl2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WDIHJSXYQDMJHN-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "208.23300" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.84295" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Ba++]" xsd:string + +[Term] +id: CHEBI:63940 +name: sodium tungstate +namespace: chebi_ontology +def: "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones." [] +subset: 3_STAR +synonym: "Disodium tetraoxotungstate" RELATED [ChemIDplus] +synonym: "Disodium tungstate" RELATED [ChemIDplus] +synonym: "Na2WO4" RELATED [ChEBI] +synonym: "sodium tetraoxotungstate(VI)" RELATED [ChEBI] +synonym: "Sodium tungstate(VI)" RELATED [ChemIDplus] +synonym: "Sodium tungsten oxide" RELATED [ChemIDplus] +synonym: "Sodium wolframate" RELATED [ChemIDplus] +synonym: "Tungstic acid, disodium salt" RELATED [ChemIDplus] +xref: CAS:13472-45-2 {source="ChemIDplus"} +xref: Reaxys:11343345 {source="Reaxys"} +xref: Wikipedia:Sodium_tungstate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002099 ! 183W spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Na2O4W" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Na.4O.W/q2*+1;;;2*-1;" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMVONEAAOPAGAO-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "293.82000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "293.91013" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-][W]([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:6636 +name: magnesium dichloride +namespace: chebi_ontology +def: "A magnesium salt comprising of two chlorine atoms bound to a magnesium atom." [] +subset: 3_STAR +synonym: "[MgCl2]" RELATED [MolBase] +synonym: "Magnesium chloride" RELATED [KEGG_COMPOUND] +synonym: "Magnesium chloride anhydrous" RELATED [KEGG_COMPOUND] +synonym: "magnesium dichloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Magnesiumchlorid" RELATED [ChEBI] +synonym: "MgCl2" RELATED [IUPAC] +xref: CAS:7786-30-3 {source="KEGG COMPOUND"} +xref: CAS:7786-30-3 {source="ChemIDplus"} +xref: CAS:7786-30-3 {source="NIST Chemistry WebBook"} +xref: Gmelin:9305 {source="Gmelin"} +xref: KEGG:C07755 +xref: MolBase:1868 +xref: Reaxys:8128169 {source="Reaxys"} +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:59999 ! chemical substance +is_a: NMR:1400033 ! chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Mg" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWRXJAOTZQYOKJ-UHFFFAOYSA-L" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "95.21040" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.92275" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg++].[Cl-].[Cl-]" xsd:string + +[Term] +id: CHEBI:66872 +name: potassium fluoride +namespace: chebi_ontology +def: "A fluoride salt having K+ as the counterion." [] +subset: 3_STAR +synonym: "Fluorure de potassium" RELATED [ChemIDplus] +synonym: "potassium fluoride" EXACT IUPAC_NAME [IUPAC] +synonym: "Potassium fluorure" RELATED [ChemIDplus] +xref: CAS:7789-23-3 {source="ChemIDplus"} +xref: CAS:7789-23-3 {source="NIST Chemistry WebBook"} +xref: PMID:21412559 {source="Europe PMC"} +xref: PMID:21486073 {source="Europe PMC"} +xref: PMID:21636316 {source="Europe PMC"} +xref: PMID:21863787 {source="Europe PMC"} +xref: PMID:22013284 {source="Europe PMC"} +xref: PMID:22169214 {source="Europe PMC"} +xref: PMID:22359362 {source="Europe PMC"} +xref: PMID:22700337 {source="Europe PMC"} +xref: PMID:22721409 {source="Europe PMC"} +xref: PMID:22777777 {source="Europe PMC"} +xref: Reaxys:11339017 {source="Reaxys"} +xref: Reaxys:3902818 {source="Reaxys"} +xref: Wikipedia:Potassium_fluoride +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "FK" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH.K/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NROKBHXJSPEDAR-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "58.09670" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.96211" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-].[K+]" xsd:string + +[Term] +id: CHEBI:67137 +name: NMR shift reagent +namespace: chebi_ontology +def: "In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra." [] +subset: 3_STAR +synonym: "lanthanide shift reagent" RELATED [ChEBI] +synonym: "lanthanide shift reagents" RELATED [ChEBI] +synonym: "NMR shift reagents" RELATED [ChEBI] +synonym: "nuclear magnetic resonance shift reagent" RELATED [ChEBI] +synonym: "nuclear magnetic resonance shift reagents" RELATED [ChEBI] +is_a: CHEBI:33232 ! application + +[Term] +id: CHEBI:75215 +name: sodium molybdate (anhydrous) +namespace: chebi_ontology +def: "An inorganic sodium salt having molybdate as the counterion." [] +subset: 3_STAR +synonym: "Disodium molybdate" RELATED [ChemIDplus] +synonym: "disodium tetraoxomolybdate" RELATED [ChEBI] +synonym: "Molybdic acid, disodium salt" RELATED [ChemIDplus] +synonym: "Na2MoO4" RELATED [ChEBI] +synonym: "Natriummolybdat" RELATED [ChemIDplus] +synonym: "sodium dioxido(dioxo)molybdenum" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium molybdate" RELATED [ChEBI] +synonym: "sodium molybdate (anh.)" RELATED [ChEBI] +synonym: "Sodium molybdate(VI)" RELATED [KEGG_COMPOUND] +synonym: "sodium orthomolybdate" RELATED [ChEBI] +xref: CAS:7631-95-0 {source="ChemIDplus"} +xref: CAS:7631-95-0 {source="NIST Chemistry WebBook"} +xref: CAS:7631-95-0 {source="KEGG COMPOUND"} +xref: KEGG:C15455 +xref: Reaxys:11323078 {source="Reaxys"} +xref: Wikipedia:Sodium_molybdate +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002148 ! 95Mo spectrum chemical shift reference compound +is_a: NMR:0002149 ! 97Mo spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "MoNa2O4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVXXNOYZHKPKGW-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "205.92000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.86460" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-][Mo]([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:75249 +name: potassium chromate +namespace: chebi_ontology +def: "A potassium salt consisting of potassium and chromate ions in a 2:1 ratio." [] +subset: 3_STAR +synonym: "Bipotassium chromate" RELATED [ChemIDplus] +synonym: "Chromic acid, dipotassium salt" RELATED [ChemIDplus] +synonym: "Dipotassium chromate" RELATED [ChemIDplus] +synonym: "dipotassium dioxido(dioxo)chromium" EXACT IUPAC_NAME [IUPAC] +synonym: "Dipotassium monochromate" RELATED [ChemIDplus] +synonym: "Potassium chromate" EXACT [ChemIDplus] +synonym: "Potassium chromate(VI)" RELATED [ChemIDplus] +xref: CAS:7789-00-6 {source="ChemIDplus"} +xref: PMID:1372703 {source="Europe PMC"} +xref: PMID:1858300 {source="Europe PMC"} +xref: PMID:1897900 {source="Europe PMC"} +xref: PMID:19577443 {source="Europe PMC"} +xref: PMID:19839488 {source="Europe PMC"} +xref: PMID:3947421 {source="Europe PMC"} +xref: PMID:6771085 {source="Europe PMC"} +xref: PMID:7073801 {source="Europe PMC"} +xref: PMID:7395526 {source="Europe PMC"} +xref: PMID:8692229 {source="Europe PMC"} +xref: Reaxys:11343356 {source="Reaxys"} +xref: Wikipedia:Potassium_chromate +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002108 ! 53Cr spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CrK2O4" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMXNVYPJWBTAHN-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "194.19030" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.84758" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[K+].[O-][Cr]([O-])(=O)=O" xsd:string + +[Term] +id: CHEBI:76107 +name: deuterated compound +namespace: chebi_ontology +def: "Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium." [] +subset: 3_STAR +synonym: "(2)H-labeled compound" RELATED [ChEBI] +synonym: "(2)H-labeled compounds" RELATED [ChEBI] +synonym: "(2)H-labelled compound" RELATED [ChEBI] +synonym: "(2)H-labelled compounds" RELATED [ChEBI] +synonym: "deuterated compounds" RELATED [ChEBI] +synonym: "deuterium-labeled compound" RELATED [ChEBI] +synonym: "deuterium-labeled compounds" RELATED [ChEBI] +synonym: "deuterium-labelled compound" RELATED [ChEBI] +synonym: "deuterium-labelled compounds" RELATED [ChEBI] +is_a: CHEBI:139358 ! isotopically modified compound + +[Term] +id: CHEBI:77701 +name: nitromethane +namespace: chebi_ontology +def: "A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models." [] +subset: 3_STAR +synonym: "CH3NO2" RELATED [ChEBI] +synonym: "MeNO2" RELATED [ChEBI] +synonym: "nitromethane" EXACT IUPAC_NAME [IUPAC] +xref: CAS:75-52-5 {source="ChemIDplus"} +xref: CAS:75-52-5 {source="NIST Chemistry WebBook"} +xref: CAS:75-52-5 {source="KEGG COMPOUND"} +xref: KEGG:C19275 +xref: MetaCyc:CPD-8133 +xref: PMID:11100413 {source="Europe PMC"} +xref: PMID:21860501 {source="Europe PMC"} +xref: PMID:26735907 {source="Europe PMC"} +xref: PMID:26800205 {source="Europe PMC"} +xref: PMID:4207867 {source="Europe PMC"} +xref: PMID:999282 {source="Europe PMC"} +xref: Reaxys:1698205 {source="Reaxys"} +xref: Wikipedia:Nitromethane +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002126 ! 14N spectrum chemical shift reference compound +is_a: NMR:1000036 ! 15N spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3NO2" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LYGJENNIWJXYER-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "61.04000" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "61.01638" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+]([O-])=O" xsd:string + +[Term] +id: CHEBI:78217 +name: acetone d6 +namespace: chebi_ontology +def: "A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium." [] +subset: 3_STAR +synonym: "((2)H6)propan-2-one" EXACT IUPAC_NAME [IUPAC] +synonym: "(2H6)Acetone" RELATED [ChemIDplus] +synonym: "(CD3)2CO" RELATED [NIST_Chemistry_WebBook] +synonym: "2-Propanone-1,1,1,3,3,3-D6" RELATED [NIST_Chemistry_WebBook] +synonym: "Acetone-d6" RELATED [ChemIDplus] +synonym: "hexadeuteroacetone" RELATED [ChEBI] +synonym: "Perdeuteroacetone" RELATED [NIST_Chemistry_WebBook] +xref: CAS:666-52-4 {source="NIST Chemistry WebBook"} +xref: CAS:666-52-4 {source="ChemIDplus"} +xref: Reaxys:1702935 {source="Reaxys"} +xref: Wikipedia:Deuterated_acetone +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C3D6O" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CSCPPACGZOOCGX-WFGJKAKNSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "64.117" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "64.07953" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]" xsd:string + +[Term] +id: CHEBI:78672 +name: rubidium chloride +namespace: chebi_ontology +def: "An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio." [] +subset: 3_STAR +synonym: "rubidium chloride" EXACT IUPAC_NAME [IUPAC] +synonym: "Rubidium monochloride" RELATED [ChemIDplus] +xref: CAS:7791-11-9 {source="NIST Chemistry WebBook"} +xref: CAS:7791-11-9 {source="ChemIDplus"} +xref: PMID:108740 {source="Europe PMC"} +xref: PMID:1159626 {source="Europe PMC"} +xref: PMID:1748232 {source="Europe PMC"} +xref: PMID:2010564 {source="Europe PMC"} +xref: PMID:3311597 {source="Europe PMC"} +xref: PMID:3379141 {source="Europe PMC"} +xref: PMID:349155 {source="Europe PMC"} +xref: PMID:5436089 {source="Europe PMC"} +xref: PMID:5561654 {source="Europe PMC"} +xref: PMID:6206870 {source="Europe PMC"} +xref: PMID:6705481 {source="Europe PMC"} +xref: PMID:690649 {source="Europe PMC"} +xref: PMID:8412574 {source="Europe PMC"} +xref: PMID:8926857 {source="Europe PMC"} +xref: Reaxys:3534980 {source="Reaxys"} +xref: Reaxys:9321247 {source="Reaxys"} +xref: Wikipedia:Rubidium_chloride +is_a: CHEBI:24835 ! inorganic molecular entity +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002144 ! 85Rb spectrum chemical shift reference compound +is_a: NMR:0002145 ! 87Rb spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "ClRb" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Rb/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FGDZQCVHDSGLHJ-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "120.92100" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.88064" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Rb+]" xsd:string + +[Term] +id: CHEBI:8346 +name: potassium iodide +namespace: chebi_ontology +def: "A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals." [] +subset: 3_STAR +synonym: "Kaliumiodid" RELATED [ChEBI] +synonym: "KI" RELATED [IUPAC] +synonym: "Potassium iodide" EXACT [KEGG_COMPOUND] +synonym: "potassium iodide" EXACT IUPAC_NAME [IUPAC] +xref: CAS:7681-11-0 {source="ChemIDplus"} +xref: CAS:7681-11-0 {source="NIST Chemistry WebBook"} +xref: CAS:7681-11-0 {source="KEGG COMPOUND"} +xref: KEGG:C08219 +xref: KEGG:D01016 +xref: PMID:11004629 {source="Europe PMC"} +xref: PMID:15206581 {source="Europe PMC"} +xref: PMID:23475155 {source="Europe PMC"} +xref: PMID:23793210 {source="Europe PMC"} +xref: PMID:24044784 {source="Europe PMC"} +xref: PMID:24635765 {source="Europe PMC"} +xref: PPDB:1529 +xref: Wikipedia:Potassium_Iodide +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002158 ! 127I spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "IK" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "K.I" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HI.K/h1H;/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLKNQRATVPKPDG-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "166.00277" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.86818" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[I-]" xsd:string + +[Term] +id: CHEBI:85361 +name: tetramethylsilane +namespace: chebi_ontology +def: "An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups." [] +subset: 3_STAR +synonym: "(CH3)4Si" RELATED [NIST_Chemistry_WebBook] +synonym: "Me4Si" RELATED [ChEBI] +synonym: "Si(CH3)4" RELATED [NIST_Chemistry_WebBook] +synonym: "SiMe4" RELATED [ChEBI] +synonym: "Tetramethyl silane" RELATED [ChemIDplus] +synonym: "tetramethylsilane" EXACT IUPAC_NAME [IUPAC] +synonym: "Tetramethylsilicane" RELATED [ChemIDplus] +synonym: "TMS" RELATED [SUBMITTER] +xref: CAS:75-76-3 {source="NIST Chemistry WebBook"} +xref: CAS:75-76-3 {source="ChemIDplus"} +xref: Reaxys:1696908 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: NMR:0002008 ! 3H spectrum chemical shift reference compound +is_a: NMR:0002084 ! 29Si spectrum chemical shift reference compound +is_a: NMR:1000026 ! 1H spectrum chemical shift reference compound +is_a: NMR:1000030 ! 13C spectrum chemical shift reference compound +is_a: NMR:1000431 ! 2H spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H12Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZDYPVPMEAXLPK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "88.22360" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.07083" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](C)(C)C" xsd:string + +[Term] +id: CHEBI:85362 +name: 3-(trimethylsilyl)propane-1-sulfonic acid +namespace: chebi_ontology +def: "An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group." [] +subset: 3_STAR +synonym: "2,2-dimethyl-2-silapentane-5-sulfonic acid" RELATED [ChEBI] +synonym: "3-(trimethylsilyl)propane-1-sulfonic acid" EXACT IUPAC_NAME [IUPAC] +synonym: "4,4-dimethyl-4-silapentane-1-sulfonic acid" RELATED [ChEBI] +synonym: "DSS" RELATED [SUBMITTER] +xref: CAS:18173-90-5 {source="ChemIDplus"} +xref: Reaxys:1860132 {source="Reaxys"} +xref: Wikipedia:DSS_(NMR_standard) +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:1000026 ! 1H spectrum chemical shift reference compound +is_a: NMR:1000030 ! 13C spectrum chemical shift reference compound +is_a: NMR:1000431 ! 2H spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H16O3SSi" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "196.340" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "196.05894" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](CCCS(O)(=O)=O)(C)C" xsd:string + +[Term] +id: CHEBI:85363 +name: sodium 3-(trimethylsilyl)propionate +namespace: chebi_ontology +def: "An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." [] +subset: 3_STAR +synonym: "sodium 3-(trimethylsilyl)propanoate" EXACT IUPAC_NAME [IUPAC] +synonym: "sodium trimethylsilylpropanoate" RELATED [ChEBI] +synonym: "sodium trimethylsilylpropionate" RELATED [ChEBI] +synonym: "TMSP" RELATED [SUBMITTER] +synonym: "TSP" RELATED [SUBMITTER] +xref: CAS:37013-20-0 {source="ChemIDplus"} +xref: Reaxys:4021529 {source="Reaxys"} +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NaO2Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OIIWPAYIXDCDNL-UHFFFAOYSA-M" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "168.24150" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.05825" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].C[Si](C)(C)CCC([O-])=O" xsd:string + +[Term] +id: CHEBI:85364 +name: ammonium bromide +namespace: chebi_ontology +def: "An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio." [] +subset: 3_STAR +synonym: "NH4Br" RELATED [ChEBI] +xref: CAS:12124-97-9 {source="NIST Chemistry WebBook"} +xref: CAS:12124-97-9 {source="ChemIDplus"} +xref: Reaxys:13202152 {source="Reaxys"} +xref: Wikipedia:Ammonium_bromide +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "BrH4N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH.H3N/h1H;1H3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SWLVFNYSXGMGBS-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "97.94200" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "96.95271" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[NH4+].[Br-]" xsd:string + +[Term] +id: CHEBI:85365 +name: deuterated chloroform +namespace: chebi_ontology +def: "A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy." [] +subset: 3_STAR +synonym: "(2H)Chloroform" RELATED [ChemIDplus] +synonym: "CDCl3" RELATED [SUBMITTER] +synonym: "Chloroform-D" RELATED [ChemIDplus] +synonym: "deuterochloroform" RELATED [ChEBI] +synonym: "trichloro((2)H)methane" EXACT IUPAC_NAME [IUPAC] +synonym: "Trichloromethane-d" RELATED [NIST_Chemistry_WebBook] +synonym: "Trichloromethane-d1" RELATED [NIST_Chemistry_WebBook] +xref: CAS:865-49-6 {source="ChemIDplus"} +xref: CAS:865-49-6 {source="NIST Chemistry WebBook"} +xref: PMID:29864274 {source="Europe PMC"} +xref: PMID:32562503 {source="Europe PMC"} +xref: Reaxys:1697633 {source="Reaxys"} +xref: Wikipedia:Deuterated_chloroform +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: CHEBI:76107 ! deuterated compound +is_a: NMR:1000330 {is_inferred="true"} ! NMR solvent (molecular entity) +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "CDCl3" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CHCl3/c2-1(3)4/h1H/i1D" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEDRZPFGACZZDS-MICDWDOJSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "120.380" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.92066" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "[2H]C(Cl)(Cl)Cl" xsd:string + +[Term] +id: CHEBI:85487 +name: 3-(trimethylsilyl)propionic acid +namespace: chebi_ontology +def: "An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." [] +subset: 3_STAR +synonym: "3-(trimethylsilyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] +synonym: "3-trimethylsilylpropanoic acid" RELATED [ChEBI] +synonym: "3-trimethylsilylpropionic acid" RELATED [ChEBI] +synonym: "TMSP" RELATED [ChEBI] +synonym: "TSP" RELATED [ChEBI] +xref: CAS:5683-30-7 {source="ChemIDplus"} +xref: Reaxys:1747261 {source="Reaxys"} +xref: Wikipedia:Trimethylsilyl_propanoic_acid +is_a: CHEBI:33579 ! main group molecular entity +is_a: CHEBI:36357 ! polyatomic entity +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O2Si" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NONFLFDSOSZQHR-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "146.25970" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.07631" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[Si](C)(C)CCC(O)=O" xsd:string + +[Term] +id: CHEBI:88215 +name: osmium tetroxide +namespace: chebi_ontology +def: "An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds." [] +subset: 3_STAR +synonym: "Osmic acid" RELATED [ChemIDplus] +synonym: "Osmic acid anhydride" RELATED [ChemIDplus] +synonym: "Osmium oxide" RELATED [ChemIDplus] +synonym: "Osmium tetraoxide" RELATED [ChemIDplus] +synonym: "Perosmic acid anhydride" RELATED [ChemIDplus] +synonym: "Perosmic oxide" RELATED [ChemIDplus] +synonym: "tetraoxoosmium" EXACT IUPAC_NAME [IUPAC] +xref: CAS:20816-12-0 {source="NIST Chemistry WebBook"} +xref: CAS:20816-12-0 {source="ChemIDplus"} +xref: PMID:12530969 {source="Europe PMC"} +xref: PMID:23975065 {source="Europe PMC"} +xref: PMID:25871651 {source="Europe PMC"} +xref: Reaxys:11406415 {source="Reaxys"} +xref: Wikipedia:Osmium_tetroxide +is_a: CHEBI:33497 ! transition element molecular entity +is_a: CHEBI:36357 ! polyatomic entity +is_a: NMR:0002100 ! 187Os spectrum chemical shift reference compound +is_a: NMR:0002170 ! 189Os spectrum chemical shift reference compound +property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Os" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/4O.Os" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/mass "254.222" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.94114" xsd:string +property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=[Os](=O)(=O)=O" xsd:string + +[Term] +id: IAO:0000005 +name: objective specification +def: "A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved." [] +is_a: IAO:0000033 ! directive information entity +property_value: IAO:0000111 "objective specification" xsd:string +property_value: IAO:0000112 "In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction." xsd:string +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000116 "2009-03-16: original definition when imported from OBI read: \"objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed.\"" xsd:string +property_value: IAO:0000116 "2014-03-31: In the example of usage (\"In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction\") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that." xsd:string +property_value: IAO:0000116 "Answers the question, why did you do this experiment?" xsd:string +property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string +property_value: IAO:0000117 "PERSON: Barry Smith" xsd:string +property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string +property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string +property_value: IAO:0000118 "goal specification" xsd:string +property_value: IAO:0000119 "OBI Plan and Planned Process/Roles Branch" xsd:string +property_value: IAO:0000119 "OBI_0000217" xsd:string + +[Term] +id: IAO:0000007 +name: action specification +def: "A directive information entity that describes an action the bearer will take." [] +is_a: IAO:0000033 ! directive information entity +property_value: IAO:0000112 "Pour the contents of flask 1 into flask 2" xsd:string +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000117 "Alan Ruttenberg" xsd:string +property_value: IAO:0000119 "OBI Plan and Planned Process branch" xsd:string [Term] id: IAO:0000027 @@ -662,6 +5119,20 @@ property_value: IAO:0000116 "information_content_entity 'is_encoded_in' some dig property_value: IAO:0000117 "PERSON: Chris Stoeckert" xsd:string property_value: IAO:0000119 "OBI_0000142" xsd:string +[Term] +id: IAO:0000033 +name: directive information entity +def: "An information content entity whose concretizations indicate to their bearer how to realize them in a process." [] +is_a: IAO:0000030 ! information content entity +relationship: IAO:0000136 BFO:0000017 ! is about realizable entity +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000116 "2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was \"is the specification of a process that can be concretized and realized by an actor\" with alternative term \"instruction\".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term." xsd:string +property_value: IAO:0000116 "2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it." xsd:string +property_value: IAO:0000116 "8/6/2009 Alan Ruttenberg: Changed label from \"information entity about a realizable\" after discussions at ICBO" xsd:string +property_value: IAO:0000116 "Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan" xsd:string +property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string +property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string + [Term] id: IAO:0000078 name: curation status specification @@ -682,6 +5153,36 @@ is_a: IAO:0000027 ! data item property_value: IAO:0000111 "data about an ontology part" xsd:string property_value: IAO:0000117 "Person:Alan Ruttenberg" xsd:string +[Term] +id: IAO:0000104 +name: plan specification +def: "A directive information entity with action specifications and objective specifications as parts, and that may be concretized as a realizable entity that, if realized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified." [] +comment: 2/3/2009 Comment from OBI review.\n\nAction specification not well enough specified.\nConditional specification not well enough specified.\nQuestion whether all plan specifications have objective specifications.\n\nRequest that IAO either clarify these or change definitions not to use them +is_a: IAO:0000033 ! directive information entity +relationship: has_part IAO:0000005 ! objective specification +relationship: has_part IAO:0000007 ! action specification +property_value: IAO:0000111 "plan specification" xsd:string +property_value: IAO:0000112 "PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice." xsd:string +property_value: IAO:0000114 IAO:0000122 +property_value: IAO:0000116 "2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was \" a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan\". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term." xsd:string +property_value: IAO:0000116 "2014-03-31: A plan specification can have other parts, such as conditional specifications." xsd:string +property_value: IAO:0000116 "2022-01-16 Updated definition to that proposed by Clint Dowloand, IAO Issue 231." xsd:string +property_value: IAO:0000116 "Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved" xsd:string +property_value: IAO:0000117 "Alan Ruttenberg" xsd:string +property_value: IAO:0000117 "Clint Dowland" xsd:string +property_value: IAO:0000119 "OBI Plan and Planned Process branch" xsd:string +property_value: IAO:0000119 "OBI_0000344" xsd:string +property_value: seeAlso "https://github.com/information-artifact-ontology/IAO/issues/231#issuecomment-1010455131" xsd:string + +[Term] +id: IAO:0000140 +name: setting datum +def: "A settings datum is a datum that denotes some configuration of an instrument." [] +is_a: IAO:0000027 ! data item +property_value: IAO:0000114 IAO:0000123 +property_value: IAO:0000116 "2/3/2009 Feedback from OBI\n\nThis should be a \"setting specification\". There is a question of whether it is information about a realizable or not.\n\nPro other specification are about realizables.\nCons sometimes specifies a quality which is not a realizable." xsd:string +property_value: IAO:0000116 "Alan grouped these in placeholder for the moment. Name by analogy to measurement datum." xsd:string + [Term] id: IAO:0000225 name: obsolescence reason specification @@ -871,2122 +5372,6195 @@ is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string [Term] -id: NMRCV:0000000 -name: root node +id: NMR:0002001 +name: characterized compound +def: "A molecular entity that has a characterized compound role in nuclear magnetic resonance (NMR) spectroscopy." [] +is_a: CHEBI:23367 ! molecular entity +intersection_of: CHEBI:23367 ! molecular entity +intersection_of: has_role NMR:0002002 ! NMR characterized compound role +relationship: has_role NMR:0002002 ! NMR characterized compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-21T15:06:17Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/9 + +[Term] +id: NMR:0002002 +name: NMR characterized compound role +def: "A role which inheres in a molecular entity being characterized in an NMR sample using data acquired from an NMR analysis." [] +is_a: CHEBI:51086 ! chemical role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-21T15:10:29Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/9 + +[Term] +id: NMR:0002003 +name: chemical shift calibration compound +def: "A calibration compound that has a chemical shift calibration compound role in nuclear magnetic resonance (NMR) spectroscopy." [] +is_a: NMR:1400032 ! calibration compound +intersection_of: NMR:1400032 ! calibration compound +intersection_of: has_role NMR:0002006 ! NMR chemical shift calibration compound role +relationship: has_role NMR:0002006 ! NMR chemical shift calibration compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T14:49:21Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002005 +name: NMR calibration compound role +def: "A role which inheres in a molecular entity that produces one or more peaks used to calibrate the NMR spectrometer and/or the spectrum." [] +is_a: CHEBI:51086 {comment="Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.", isDefinedBy="http://nmrML.org/nmrCV"} ! chemical role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:10:11Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002006 +name: NMR chemical shift calibration compound role +def: "A role which inheres in a calibration compound that produces one or more peaks used for chemical shift calibration." [] +is_a: NMR:0002005 {comment="Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.", isDefinedBy="http://nmrML.org/nmrCV"} ! NMR calibration compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:12:21Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002007 +name: NMR concentration calibration compound role +def: "A role which inheres in a calibration compound of a known concentration that produces one or more peaks used to calibrate a spectrum for quantification." [] +is_a: NMR:0002005 ! NMR calibration compound role +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:15:36Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002008 +name: 3H spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 3H spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002082 +name: 3He spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 3He spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3He spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T18:14:29Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002083 +name: 19F spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 19F spectra according to IUPAC recommendations." [] {comment="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 19F spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002084 +name: 29Si spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 29Si spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002085 +name: 57Fe spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 57Fe spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002086 +name: 77Se spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 77Se spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002087 +name: 89Y spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 89Y spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002088 +name: 103Rh spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 103Rh spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002089 +name: 107Ag spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 107Ag spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002090 +name: 109Ag spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations." [] {dce:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 109Ag spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002091 +name: 111Cd spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 111Cd spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002092 +name: 113Cd spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113Cd spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002093 +name: 115Sn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115Sn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002094 +name: 117Sn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 117Sn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002095 +name: 119Sn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 119Sn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002096 +name: 123Te spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Te spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002097 +name: 125Te spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 125Te spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002098 +name: 129Xe spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 129Xe spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002099 +name: 183W spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 183W spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 183W spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002100 +name: 187Os spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Os spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002101 +name: 195Pt spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 195Pt spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002102 +name: 199Hg spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 199Hg spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002103 +name: 203Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 203Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002104 +name: 205Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 205Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002105 +name: 207Pb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 207Pb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002106 +name: 59Co spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 59Co spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002107 +name: 55Mn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 55Mn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002108 +name: 53Cr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 53Cr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002109 +name: 51V spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 51V spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 51V spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002110 +name: 50V spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 50V spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 50V spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002111 +name: 49Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 49Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002112 +name: 47Ti spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 47Ti spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002113 +name: 45Sc spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 45Sc spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002114 +name: 43Ca spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 43Ca spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002115 +name: 41K spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 41K spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 41K spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002116 +name: 40K spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 40K spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 40K spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002117 +name: 39K spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 39K spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 39K spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002118 +name: 37Cl spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 37Cl spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002119 +name: 35Cl spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 35Cl spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002120 +name: 33S spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 33S spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 33S spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002121 +name: 27Al spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 27Al spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002122 +name: 25Mg spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 25Mg spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002123 +name: 23Na spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 23Na spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002124 +name: 21Ne spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002125 +name: 17O spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 17O spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 17O spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002126 +name: 14N spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 14N spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 14N spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002127 +name: 11B spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 11B spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 11B spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime + +[Term] +id: NMR:0002128 +name: 10B spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 10B spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 10B spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002130 +name: 9Be spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002131 +name: 7Li spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 7Li spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-26T16:16:31Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002132 +name: 6Li spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 6Li spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002133 +name: 61Ni spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 61Ni spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002134 +name: 63Cu spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 63Cu spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002135 +name: 65Cu spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 65Cu spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002136 +name: 67Zn spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 67Zn spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002137 +name: 69Ga spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 69Ga spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002138 +name: 71Ga spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 71Ga spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002139 +name: 73Ge spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 73Ge spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002140 +name: 75As spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 75As spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 75As spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002141 +name: 79Br spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 79Br spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002142 +name: 81Br spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 81Br spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002143 +name: 83Kr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 83Kr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002144 +name: 85Rb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 85Rb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002145 +name: 87Rb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Rb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002146 +name: 91Zr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 91Zr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002147 +name: 93Nb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 93Nb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002148 +name: 95Mo spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 95Mo spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002149 +name: 97Mo spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 97Mo spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002150 +name: 99Tc spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Tc spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002151 +name: 99Ru spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Ru spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002152 +name: 101Ru spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 101Ru spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002153 +name: 105Pd spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 105Pd spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002154 +name: 113In spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 113In spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113In spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002155 +name: 115In spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 115In spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115In spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002156 +name: 121Sb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 121Sb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002157 +name: 123Sb spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Sb spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002158 +name: 127I spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 127I spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 127I spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002159 +name: 131Xe spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 131Xe spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002160 +name: 133Cs spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 133Cs spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002161 +name: 135Ba spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 135Ba spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002162 +name: 137Ba spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 137Ba spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002163 +name: 138La spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 138La spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 138La spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002164 +name: 139La spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 139La spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 139La spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002165 +name: 177Hf spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 177Hf spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002166 +name: 179Hf spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 179Hf spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002167 +name: 181Ta spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 181Ta spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002168 +name: 185Re spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 185Re spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002169 +name: 187Re spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Re spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002170 +name: 189Os spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 189Os spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002171 +name: 191Ir spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 191Ir spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002172 +name: 193Ir spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 193Ir spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002173 +name: 197Au spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 197Au spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002174 +name: 201Hg spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 201Hg spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:0002175 +name: 209Bi spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 209Bi spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2024-08-22T15:59:35Z" xsd:dateTime +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000000 +name: integer32 +is_a: NMR:1000336 ! byte format +property_value: dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits)." xsd:string + +[Term] +id: NMR:1000001 +name: sample number +namespace: NMR +def: "A reference number relevant to the sample under study." [MSI:NMR] +xref: value-type:xsd\:string "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute + +[Term] +id: NMR:1000002 +name: long64 +is_a: NMR:1000336 ! byte format +property_value: dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits)." xsd:string + +[Term] +id: NMR:1000003 +name: sample state information +namespace: NMR +def: "The chemical phase of a pure sample, or the state of a mixed sample." [MSI:NMR] +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000011 -name: planned process -def: "A process that realizes a plan which is the concretization of a plan specification." [] -is_a: BFO:0000015 ! process -property_value: IAO:0000111 "planned process" xsd:string -property_value: IAO:0000111 "planned process" xsd:string -property_value: IAO:0000112 "Injecting mice with a vaccine in order to test its efficacy" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" xsd:string -property_value: IAO:0000116 "We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some \nobjectives is a planned process." xsd:string -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000119 "branch derived" xsd:string -property_value: IAO:0000232 "6/11/9: Edited at workshop. Used to include: is initiated by an agent" xsd:string -property_value: IAO:0000232 "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl +id: NMR:1000004 +name: sample mass information +namespace: NMR +def: "Total mass of sample used." [MSI:NMR] +xref: value-type:xsd\:float "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000014 -name: regulator role -def: "a regulatory role involved with making and/or enforcing relevant legislation and governmental orders" [] -is_a: OBI:0000017 ! regulatory role -property_value: IAO:0000111 "regulator role" xsd:string -property_value: IAO:0000112 "Fact sheet - Regulating the companies The role of the regulator. Ofwat is the economic regulator of the water and sewerage industry in England and Wales. http://www.ofwat.gov.uk/aptrix/ofwat/publish.nsf/Content/roleofregulator_factsheet170805" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Person:Jennifer Fostel" xsd:string -property_value: IAO:0000118 "regulator" xsd:string -property_value: IAO:0000119 "OBI" xsd:string +id: NMR:1000005 +name: sample volume +namespace: NMR +def: "Total volume of solution used." [MSI:NMR] +xref: value-type:xsd\:float "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000017 -name: regulatory role -def: "a role which inheres in material entities and is realized in the processes of making, enforcing or being defined by legislation or orders issued by a governmental body." [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "regulatory role" xsd:string -property_value: IAO:0000112 "Regulatory agency, Ethics committee, Approval letter; example: Browse these EPA Regulatory Role subtopics http://www.epa.gov/ebtpages/enviregulatoryrole.html Feb 29, 2008" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "GROUP: Role branch" xsd:string -property_value: IAO:0000119 "OBI, CDISC" xsd:string -property_value: IAO:0000232 "govt agents responsible for creating regulations; proxies for enforcing regulations. CDISC definition: regulatory authorities. Bodies having the power to regulate. NOTE: In the ICH GCP guideline the term includes the authorities that review submitted clinical data and those that conduct inspections. These bodies are sometimes referred to as competent" xsd:string +id: NMR:1000006 +name: sample concentration +namespace: NMR +def: "Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used." [MSI:NMR] +xref: value-type:xsd\:float "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0000018 -name: material supplier role -def: "a role realized through the process of supplying materials such as animal subjects, reagents or other materials used in an investigation." [] -is_a: OBI:0000947 ! service provider role -property_value: IAO:0000111 "material supplier role" xsd:string -property_value: IAO:0000112 "Jackson Labs is an organization which provide mice as experimental material" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000116 "Supplier role is a special kind of service, e.g. biobank" xsd:string -property_value: IAO:0000117 "PERSON:Jennifer Fostel" xsd:string -property_value: IAO:0000118 "material provider role" xsd:string -property_value: IAO:0000118 "supplier" xsd:string +id: NMR:1000008 +name: quadrature detection +comment: One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible\nto determine if the frequency is positive or negative. The instrument uses a spectrometer\nfrequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule\nproduces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency\nis 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency\nsignals are very easy frequency to detect, transmit, amplify and sample.\nThe complication with this rotating frame of reference is that a single detector can not distinguish positive and\nnegative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels\nseparated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these\ntwo channels, it is possible to distinguish positive and negative frequencies. This section shows how the\nquadrature signal is processed to obtain an NMR spectrum.\nThe Fourier transform produces a complex number with a real and an imaginary component. The Re function\nextracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number. +is_a: NMR:1400042 ! NMR data processing [Term] -id: OBI:0000023 -name: classified data set -def: "A data set that is produced as the output of a class prediction data transformation and consists of a data set with assigned class labels." [] -is_a: BFO:0000002 ! continuant -is_a: IAO:0000100 -relationship: OBI:0000312 OBI:0000663 ! is_specified_output_of class prediction data transformation -property_value: IAO:0000111 "classified data set" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "PERSON: James Malone" xsd:string -property_value: IAO:0000117 "PERSON: Monnie McGee" xsd:string -property_value: IAO:0000118 "data set with assigned class labels" xsd:string +id: NMR:1000010 +name: contact role +is_a: NMR:1000585 ! contact attribute [Term] -id: OBI:0000112 -name: specimen role -def: "a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation" [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "specimen role" xsd:string -property_value: IAO:0000112 "liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role." xsd:string -property_value: IAO:0000116 "blood taken from animal: animal continues in study, whereas blood has role specimen.\nsomething taken from study subject, leaves the study and becomes the specimen." xsd:string -property_value: IAO:0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." xsd:string -property_value: IAO:0000116 "parasite example\n- when parasite in people we study people, people are subjects and parasites are specimen\n- when parasite extracted, they become subject in the following study\nspecimen can later be subject." xsd:string -property_value: IAO:0000117 "GROUP: Role Branch" xsd:string -property_value: IAO:0000119 "OBI" xsd:string -property_value: IAO:0000233 https://github.com/obi-ontology/obi/issues/1013 +id: NMR:1000011 +name: data file attribute +is_a: BFO:0000031 ! generically dependent continuant [Term] -id: OBI:0000245 -name: organization -def: "An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members." [] -is_a: BFO:0000040 ! material entity -property_value: IAO:0000111 "organization" xsd:string -property_value: IAO:0000112 "PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based:\n\n1) there are organization_member_roles (president, treasurer, branch\neditor), with individual persons as bearers\n\n2) there are organization_roles (employer, owner, vendor, patent holder)\n\n3) an organization has a charter / rules / bylaws, which specify what roles\nthere are, how they should be realized, and how to modify the\ncharter/rules/bylaws themselves.\n\nIt is debatable what the organization itself is (some kind of dependent\ncontinuant or an aggregate of people). This also determines who/what the\nbearer of organization_roles' are. My personal favorite is still to define\norganization as a kind of 'legal entity', but thinking it through leads to\nall kinds of questions that are clearly outside the scope of OBI.\n\nInterestingly enough, it does not seem to matter much where we place\norganization itself, as long as we can subclass it (University, Corporation,\nGovernment Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO,\nW3C, University of Oklahoma), and have it play roles.\n\nThis leads to my proposal: We define organization through the statements 1 -\n3 above, but without an 'is a' statement for now. We can leave it in its\ncurrent place in the is_a hierarchy (material entity) or move it up to\n'continuant'. We leave further clarifications to BFO, and close this issue\nfor now." xsd:string -property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000117 "PERSON: Susanna Sansone" xsd:string -property_value: IAO:0000119 "GROUP: OBI" xsd:string +id: NMR:1000012 +is_a: oboInOwl:ObsoleteClass [Term] -id: OBI:0000450 -name: regulatory agency -def: "A regulatory agency is a organization that has responsibility over or for the legislation (acts and regulations) for a given sector of the government." [] -is_a: OBI:0000245 ! organization -intersection_of: OBI:0000245 ! organization -intersection_of: RO:0000087 OBI:0000014 ! has role regulator role -relationship: RO:0000087 OBI:0000014 ! has role regulator role -property_value: IAO:0000111 "regulatory agency" xsd:string -property_value: IAO:0000112 "The US Environmental Protection Agency" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "GROUP: OBI Biomaterial Branch" xsd:string -property_value: IAO:0000119 "WEB: en.wikipedia.org/wiki/Regulator" xsd:string +id: NMR:1000013 +name: 1D spectrum coordinate system descriptor +is_a: NMR:1000172 ! NMR spectrum descriptor [Term] -id: OBI:0000571 -name: manufacturer role -def: "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process." [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "manufacturer role" xsd:string -property_value: IAO:0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "GROUP: Role Branch" xsd:string -property_value: IAO:0000119 "OBI" xsd:string +id: NMR:1000014 +name: pre-acquisition solvent suppression +is_a: NMR:1400063 ! data transformation [Term] -id: OBI:0000648 -name: clustered data set -def: "A data set that is produced as the output of a class discovery data transformation and consists of a data set with assigned discovered class labels." [] -is_a: BFO:0000002 ! continuant -is_a: IAO:0000100 -relationship: OBI:0000312 OBI:0200175 ! is_specified_output_of class discovery data transformation -property_value: IAO:0000111 "clustered data set" xsd:string -property_value: IAO:0000112 "A clustered data set is the output of a K means clustering data transformation" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "PERSON: James Malone" xsd:string -property_value: IAO:0000117 "PERSON: Monnie McGee" xsd:string -property_value: IAO:0000118 "data set with assigned discovered class labels" xsd:string -property_value: IAO:0000232 "AR thinks could be a data item instead" xsd:string +id: NMR:1000015 +name: peak processing +is_a: NMR:1400038 ! frequency domain data processing [Term] -id: OBI:0000659 -name: specimen collection process -def: "A planned process with the objective of collecting a specimen." [] -is_a: OBI:0000011 ! planned process -intersection_of: OBI:0000011 ! planned process -intersection_of: OBI:0000417 OBI:0000684 ! achieves_planned_objective specimen collection objective -relationship: OBI:0000293 BFO:0000040 ! has_specified_input material entity -relationship: OBI:0000299 OBI:0100051 ! has_specified_output specimen -relationship: OBI:0000417 OBI:0000684 ! achieves_planned_objective specimen collection objective -property_value: IAO:0000111 "specimen collection process" xsd:string -property_value: IAO:0000112 "drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "label changed to 'specimen collection process' on 10/27/2014, details see tracker:\nhttp://sourceforge.net/p/obi/obi-terms/716/" xsd:string -property_value: IAO:0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." xsd:string -property_value: IAO:0000116 "Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role." xsd:string -property_value: IAO:0000116 "Philly2013: The specimen_role for the specimen is created during the specimen collection process." xsd:string -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000118 "specimen collection" xsd:string -property_value: IAO:0000232 "5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession" xsd:string -property_value: IAO:0000232 "6/9/09: used at workshop" xsd:string +id: NMR:1000016 +name: obsolete_Hexafluorobenzene +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:38589 [Term] -id: OBI:0000663 -name: class prediction data transformation -def: "A class prediction data transformation (sometimes called supervised classification) is a data transformation that has objective class prediction." [] -is_a: OBI:0200000 ! data transformation -property_value: IAO:0000111 "class prediction data transformation" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "supervised classification data transformation" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000017 +name: obsolete_Chloroform-d +synonym: "CDCl3" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85365 [Term] -id: OBI:0000684 -name: specimen collection objective -def: "A objective specification to obtain a material entity for potential use as an input during an investigation." [] -is_a: IAO:0000005 -property_value: IAO:0000111 "specimen collection objective" xsd:string -property_value: IAO:0000112 "The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000119 "Bjoern Peters" xsd:string +id: NMR:1000018 +name: obsolete_heavy water +synonym: "D2O" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:41981 +consider: CHEBI:41981 [Term] -id: OBI:0000700 -name: support vector machine -def: "A support vector machine is a data transformation with a class prediction objective based on the construction of a separating hyperplane that maximizes the margin between two data sets of vectors in n-dimensional space." [] -is_a: OBI:0000663 ! class prediction data transformation -relationship: OBI:0000417 OBI:0200179 ! achieves_planned_objective class prediction objective -property_value: IAO:0000111 "support vector machine" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Ryan Brinkman" xsd:string -property_value: IAO:0000118 "SVM" xsd:string -property_value: IAO:0000119 "PERSON: Ryan Brinkman" xsd:string +id: NMR:1000019 +name: sample pH +is_a: NMR:1002011 ! pH [Term] -id: OBI:0000704 -name: decision tree induction objective -def: "A decision tree induction objective is a data transformation objective in which a tree-like graph of edges and nodes is created and from which the selection of each branch requires that some type of logical decision is made." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "decision tree induction objective" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string +id: NMR:1000020 +name: post buffer pH +is_a: NMR:1002011 ! pH [Term] -id: OBI:0000707 -name: decision tree building data transformation -def: "A decision tree building data transformation is a data transformation that has objective decision tree induction." [] -is_a: OBI:0200000 ! data transformation -relationship: OBI:0000417 OBI:0000704 ! achieves_planned_objective decision tree induction objective -property_value: IAO:0000111 "decision tree building data transformation" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000021 +name: apodization +is_a: NMR:1400041 ! time domain data processing +property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string +property_value: IAO:0000119 "http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf" xsd:string +property_value: skos:definition "Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both.\nApodization is usually performed by applying a window function to the FID" xsd:string [Term] -id: OBI:0000713 -name: GenePattern software -def: "a software that provides access to more than 100 tools for gene expression analysis, proteomics, SNP analysis and common data processing tasks." [] -is_a: IAO:0000010 -property_value: IAO:0000111 "GenePattern software" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Person:Helen Parkinson" xsd:string -property_value: IAO:0000119 "WEB: http://www.broadinstitute.org/cancer/software/genepattern/" xsd:string +id: NMR:1000022 +name: metabolomics database identifier +comment: PRS: rename 'reference' to 'identifier' +is_a: NMR:1000878 ! external reference identifier +property_value: dce:source "http://www.metabolomicssociety.org/databases" xsd:string [Term] -id: OBI:0000726 -name: peak matching -def: "Peak matching is a data transformation performed on a dataset of a graph of ordered data points (e.g. a spectrum) with the objective of pattern matching local maxima above a noise threshold" [] -is_a: OBI:0200000 ! data transformation -property_value: IAO:0000111 "peak matching" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Ryan Brinkman" xsd:string -property_value: IAO:0000119 "PERSON: Ryan Brinkman" xsd:string - -[Term] -id: OBI:0000727 -name: k-nearest neighbors -def: "A k-nearest neighbors is a data transformation which achieves a class discovery or partitioning objective, in which an input data object with vector y is assigned to a class label based upon the k closest training data set points to y; where k is the largest value that class label is assigned." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200171 ! partitioning data transformation -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "k-nearest neighbors" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "k-NN" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000023 +name: Metabolights identifier +is_a: NMR:1000022 ! metabolomics database identifier [Term] -id: OBI:0000749 -name: CART -def: "A CART (classification and regression trees) is a data transformation method for producing a classification or regression model with a tree-based structure." [] -is_a: OBI:0000707 ! decision tree building data transformation -property_value: IAO:0000111 "CART" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "classification and regression trees" xsd:string -property_value: IAO:0000119 "BOOK: David J. Hand, Heikki Mannila and Padhraic Smyth (2001) Principles of Data Mining." xsd:string - -[Term] -id: OBI:0000792 -name: statistical model validation -def: "A data transformation which assesses how the results of a statistical analysis will generalize to an independent data set." [] -is_a: OBI:0200171 ! partitioning data transformation -relationship: OBI:0000417 OBI:0200188 ! achieves_planned_objective cross validation objective -property_value: IAO:0000111 "statistical model validation" xsd:string -property_value: IAO:0000112 "Using the expression levels of 20 proteins to predict whether a cancer patient will respond to a drug. A practical goal would be to determine which subset of the 20 features should be used to produce the best predictive model. - wikipedia" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Helen Parkinson" xsd:string -property_value: IAO:0000119 "http://en.wikipedia.org/wiki/Cross-validation_%28statistics%29" xsd:string +id: NMR:1000024 +name: obsolete_acetonitrile +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:38472 [Term] -id: OBI:0000835 -name: manufacturer -def: "A person or organization that has a manufacturer role." [] -is_a: BFO:0000040 ! material entity -relationship: RO:0000087 OBI:0000571 ! has role manufacturer role -property_value: IAO:0000111 "manufacturer" xsd:string -property_value: IAO:0000114 IAO:0000123 +id: NMR:1000025 +name: obsolete_1,4-Dioxane +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:47032 [Term] -id: OBI:0000947 -name: service provider role -def: "is a role which inheres in a person or organization and is realized in in a planned process which provides access to training, materials or execution of protocols for an organization or person" [] -is_a: BFO:0000023 ! role -property_value: IAO:0000111 "service provider role" xsd:string -property_value: IAO:0000112 "Jackson Lab provides experimental animals, EBI provides training on databases, a core facility provides access to a DNA sequencer." xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "PERSON:Helen Parkinson" xsd:string +id: NMR:1000026 +name: 1H spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 1H spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 1H spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000027 +name: obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate +synonym: "DSS" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:228806 [Term] -id: OBI:0000963 -name: categorical label -def: "A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale." [] -is_a: IAO:0000009 -property_value: IAO:0000111 "categorical label" xsd:string -property_value: IAO:0000112 "The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels." xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Bjoern Peters" xsd:string -property_value: IAO:0000119 "Bjoern Peters" xsd:string +id: NMR:1000028 +name: obsolete_sodium acetate +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:32954 + +[Term] +id: NMR:1000029 +name: obsolete_tetramethylsilane +synonym: "TMS" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85361 [Term] -id: OBI:0001000 -name: questionnaire -def: "A document with a set of printed or written questions with a choice of answers, devised for the purposes of a survey or statistical study." [] -is_a: IAO:0000310 -property_value: IAO:0000111 "questionnaire" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000116 "JT: It plays a role in collecting data that could be fleshed out more; but I'm thinking it is, in itself, an edited document. \nJZ: based on textual definition of edited document, it can be defined as N&S. I prefer to leave questionnaire as a document now. We can add more restrictions in the future and use that to determine it is an edited document or not." xsd:string -property_value: IAO:0000116 "Need to clarify if this is a document or a directive information entity (or what their connection is))" xsd:string -property_value: IAO:0000117 "PERSON: Jessica Turner" xsd:string -property_value: IAO:0000119 "Merriam-Webster" xsd:string +id: NMR:1000030 +name: 13C spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 13C spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 13C spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000031 +name: NMR instrument model +namespace: NMR +def: "Instrument model name not including the vendor's name." [MSI:NMR] +is_a: NMR:1000496 ! instrument attribute [Term] -id: OBI:0001930 -name: categorical value specification -def: "A value specification that is specifies one category out of a fixed number of nominal categories" [] -is_a: OBI:0001933 ! value specification -property_value: IAO:0000111 "categorical value specification" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string +id: NMR:1000032 +name: instrument customization +namespace: NMR +def: "Free text description of a single customization made to the instrument; for several modifications, use several entries." [MSI:NMR] +xref: value-type:xsd\:string "The allowed value-type for this CV term." +is_a: NMR:1000496 ! instrument attribute [Term] -id: OBI:0001933 -name: value specification -def: "An information content entity that specifies a value within a classification scheme or on a quantitative scale." [] -is_a: IAO:0000030 ! information content entity -property_value: IAO:0000111 "value specification" xsd:string -property_value: IAO:0000112 "The value of 'positive' in a classification scheme of \"positive or negative\"; the value of '20g' on the quantitative scale of mass." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement." xsd:string -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string +id: NMR:1000033 +name: obsolete_Chloroform-d1 +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85365 [Term] -id: OBI:0002076 -name: collection of specimens -def: "A material entity that has two or more specimens as its parts." [] -is_a: BFO:0000040 ! material entity -intersection_of: BFO:0000040 ! material entity -intersection_of: RO:0002351 OBI:0100051 {all_only="true"} ! specimen -property_value: http://purl.org/dc/elements/1.1/source "Biobank" xsd:string -property_value: IAO:0000111 "collection of specimens" xsd:string -property_value: IAO:0000112 "Blood cells collected from multiple donors over the course of a study." xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/" xsd:string -property_value: IAO:0000117 "Person: Chris Stoeckert, Jie Zheng" xsd:string -property_value: IAO:0000119 "OBIB, OBI" xsd:string - -[Term] -id: OBI:0002205 -name: histologic grade according to AJCC 7th edition -def: "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the American Joint Committee on Cancer (AJCC) 7th Edition grading system." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "histologic grade according to AJCC 7th edition" xsd:string -property_value: IAO:0000112 "G1:Well differentiated" xsd:string -property_value: IAO:0000112 "G4: Undifferentiated" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000034 +name: keyword +is_a: NMR:1400117 ! reference [Term] -id: OBI:0002210 -name: histologic grade according to the Fuhrman Nuclear Grading System -def: "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the Fuhrman Nuclear Grading System." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "histologic grade according to the Fuhrman Nuclear Grading System" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Histologic Grade (Fuhrman Nuclear Grading System)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000035 +name: obsolete_tetramethylammonium bromide +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:55317 [Term] -id: OBI:0002215 -name: histologic grade for ovarian tumor -def: "A categorical value specification that is a histologic grade assigned to a ovarian tumor." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "histologic grade for ovarian tumor" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000036 +name: 15N spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 15N spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 15N spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 [Term] -id: OBI:0002216 -name: histologic grade for ovarian tumor according to a two-tier grading system -def: "A histologic grade for ovarian tumor that is from a two-tier histological classification of tumors." [] -is_a: OBI:0002215 ! histologic grade for ovarian tumor -property_value: IAO:0000111 "histologic grade for ovarian tumor according to a two-tier grading system" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000037 +name: obsolete_ammonia (liquid) +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:16134 [Term] -id: OBI:0002219 -name: histologic grade for ovarian tumor according to the World Health Organization -def: "A histologic grade for ovarian tumor that is from a histological classification by the World Health Organization (WHO)." [] -is_a: OBI:0002215 ! histologic grade for ovarian tumor -property_value: IAO:0000111 "histologic grade for ovarian tumor according to the World Health Organization" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000038 +name: obsolete_ammonium bromide +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85364 [Term] -id: OBI:0002224 -name: pathologic primary tumor stage for colon and rectum according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for colon and rectum according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread colorectal primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000039 +name: obsolete_1,4-morpholine +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:34856 [Term] -id: OBI:0002232 -name: pathologic primary tumor stage for lung according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for lung according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread lung primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000040 +name: obsolete_nitromethane +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:77701 [Term] -id: OBI:0002243 -name: pathologic primary tumor stage for kidney according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for kidney according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread kidney primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000041 +name: obsolete_pyridine +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:16227 [Term] -id: OBI:0002256 -name: pathologic primary tumor stage for ovary according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic primary tumor stage for ovary according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pT: Pathologic spread ovarian primary tumor (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000042 +name: obsolete_sodium nitrate +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:63005 [Term] -id: OBI:0002270 -name: pathologic lymph node stage for colon and rectum according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for colon and rectum according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000043 +name: post-acquisition solvent suppression +synonym: "solvent filtering" EXACT [] +is_a: NMR:1400073 ! spectral denoising [Term] -id: OBI:0002279 -name: pathologic lymph node stage for lung according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for lung according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000044 +name: decoupling method +def: "Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds." [] +is_a: NMR:1001954 ! NMR acquisition parameter +property_value: dce:source "http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling" xsd:string [Term] -id: OBI:0002284 -name: pathologic lymph node stage for kidney according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for kidney according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread kidney lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000045 +name: homonuclear decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002287 -name: pathologic lymph node stage for ovary according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic lymph node stage for ovary according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "pN: Pathologic spread ovarian lymph nodes (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000046 +name: heteronuclear decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002290 -name: pathologic distant metastases stage for colon according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of colon cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for colon according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: colon distant metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000047 +name: emulsion +namespace: NMR +def: "State if the sample is in emulsion form." [MSI:NMR] +is_a: NMR:1000049 ! liquid [Term] -id: OBI:0002298 -name: pathologic distant metastases stage for lung according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for lung according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: lung distant metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000048 +name: gas +namespace: NMR +def: "State if the sample is in gaseous form." [MSI:NMR] +is_a: NMR:1000003 ! sample state information [Term] -id: OBI:0002306 -name: pathologic distant metastases stage for kidney according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for kidney according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: kidney distant Metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000049 +name: liquid +namespace: NMR +def: "State if the sample is in liquid form." [MSI:NMR] +is_a: NMR:1000003 ! sample state information [Term] -id: OBI:0002310 -name: pathologic distant metastases stage for ovary according to AJCC 7th edition -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "pathologic distant metastases stage for ovary according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "M: ovarian distant metastases (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000050 +name: solid +namespace: NMR +def: "State if the sample is in solid form." [MSI:NMR] +is_a: NMR:1000003 ! sample state information [Term] -id: OBI:0002314 -name: clinical tumor stage group according to AJCC 7th edition -def: "A categorical value specification that is an assessment of the stage of a cancer according to the American Joint Committee on Cancer (AJCC) v7 staging systems." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "clinical tumor stage group according to AJCC 7th edition" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Clinical tumor stage group (AJCC 7th Edition)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000051 +name: solution +namespace: NMR +def: "State if the sample is in solution form." [MSI:NMR] +is_a: NMR:1000049 ! liquid [Term] -id: OBI:0002326 -name: International Federation of Gynecology and Obstetrics cervical cancer stage value specification -def: "A categorical value specification that is an assessment of the stage of a gynecologic cancer according to the International Federation of Gynecology and Obstetrics (FIGO) staging systems." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "International Federation of Gynecology and Obstetrics cervical cancer stage value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Clinical FIGO stage" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000052 +name: suspension +namespace: NMR +def: "State if the sample is in suspension form." [MSI:NMR] +is_a: NMR:1000049 ! liquid [Term] -id: OBI:0002341 -name: International Federation of Gynecology and Obstetrics ovarian cancer stage value specification -def: "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the FIGO classification system." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "International Federation of Gynecology and Obstetrics ovarian cancer stage value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Pathologic Tumor Stage Grouping for ovarian cancer (FIGO)" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000053 +name: sample batch information +namespace: NMR +def: "Sample batch lot identifier." [MSI:NMR] +xref: value-type:xsd\:string "The allowed value-type for this CV term." +is_a: NMR:1000548 ! sample attribute [Term] -id: OBI:0002356 -name: performance status value specification -def: "A categorical value specification that is an assessment of a participant's performance status (general well-being and activities of daily life)." [] -is_a: OBI:0001930 ! categorical value specification -property_value: IAO:0000111 "performance status value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Performance Status Scale" xsd:string -property_value: IAO:0000119 "https://en.wikipedia.org/wiki/Performance_status" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000054 +name: broad band decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002357 -name: Eastern Cooperative Oncology Group score value specification -def: "A performance status value specification designed by the Eastern Cooperative Oncology Group to assess disease progression and its affect on the daily living abilities of the patient." [] -is_a: OBI:0002356 ! performance status value specification -property_value: IAO:0000111 "Eastern Cooperative Oncology Group score value specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "ECOG score" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000055 +name: off resonance decoupling +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002363 -name: Karnofsky score vaue specification -def: "A performance status value specification designed for classifying patients 16 years of age or older by their functional impairment." [] -is_a: OBI:0002356 ! performance status value specification -property_value: IAO:0000111 "Karnofsky score vaue specification" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "Chris Stoeckert, Helena Ellis" xsd:string -property_value: IAO:0000118 "Karnofsky Score" xsd:string -property_value: IAO:0000119 "NCI BBRB, OBI" xsd:string -property_value: IAO:0000234 "NCI BBRB" xsd:string +id: NMR:1000056 +name: specific decoupling +synonym: "band-selective decoupling" EXACT [] +synonym: "narowband decoupling" EXACT [] +is_a: NMR:1000044 ! decoupling method [Term] -id: OBI:0002989 -name: material supplier -def: "A person or organization that provides material supplies to other people or organizations." [] -is_a: BFO:0000040 ! material entity -relationship: RO:0000087 OBI:0000018 ! has role material supplier role -property_value: IAO:0000111 "material supplier" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "Rebecca Jackson" xsd:string -property_value: IAO:0000233 "https://github.com/obi-ontology/obi/issues/1289" xsd:string +id: NMR:1000057 +name: angle of sinusoid +is_a: NMR:1400096 ! window function parameter [Term] -id: OBI:0100051 -name: specimen -def: "A material entity that has the specimen role." [] -is_a: BFO:0000040 ! material entity -intersection_of: BFO:0000040 ! material entity -intersection_of: RO:0000087 OBI:0000112 ! has role specimen role -relationship: RO:0000087 OBI:0000112 ! has role specimen role -property_value: IAO:0000111 "specimen" xsd:string -property_value: IAO:0000112 "Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." xsd:string -property_value: IAO:0000117 "PERSON: James Malone" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000119 "GROUP: OBI Biomaterial Branch" xsd:string -property_value: IAO:0000233 https://github.com/obi-ontology/obi/issues/1013 +id: NMR:1000058 +name: 31P spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 31P spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html", dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200173111795/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 31P spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 [Term] -id: OBI:0200000 -name: data transformation -def: "A planned process that produces output data from input data." [] -is_a: OBI:0000011 ! planned process -relationship: OBI:0000293 IAO:0000027 {all_only="true"} ! has_specified_input data item -relationship: OBI:0000417 OBI:0200166 ! achieves_planned_objective data transformation objective -property_value: IAO:0000111 "data transformation" xsd:string -property_value: IAO:0000112 "The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "Helen Parkinson" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000117 "Richard Scheuermann" xsd:string -property_value: IAO:0000117 "Ryan Brinkman" xsd:string -property_value: IAO:0000117 "Tina Hernandez-Boussard" xsd:string -property_value: IAO:0000118 "data analysis" xsd:string -property_value: IAO:0000118 "data processing" xsd:string -property_value: IAO:0000119 "Branch editors" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl - -[Term] -id: OBI:0200033 -name: leave one out cross validation method -def: "is a data transformation : leave-one-out cross-validation (LOOCV) involves using a single observation from the original sample as the validation data, and the remaining observations as the training data. This is repeated such that each observation in the sample is used once as the validation data" [] -is_a: OBI:0000792 ! statistical model validation -property_value: IAO:0000111 "leave one out cross validation method" xsd:string -property_value: IAO:0000112 "The authors conducted leave-one-out cross validation to estimate the strength and accuracy of the differentially expressed filtered genes. http://bioinformatics.oxfordjournals.org/cgi/content/abstract/19/3/368" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000116 "2009-11-10. Tracker: https://sourceforge.net/tracker/?func=detail&aid=2893049&group_id=177891&atid=886178" xsd:string -property_value: IAO:0000117 "Person:Helen Parkinson" xsd:string - -[Term] -id: OBI:0200041 -name: k-means clustering -def: "A k-means clustering is a data transformation which achieves a class discovery or partitioning objective, which takes as input a collection of objects (represented as points in multidimensional space) and which partitions them into a specified number k of clusters. The algorithm attempts to find the centers of natural clusters in the data. The most common form of the algorithm starts by partitioning the input points into k initial sets, either at random or using some heuristic data. It then calculates the mean point, or centroid, of each set. It constructs a new partition by associating each point with the closest centroid. Then the centroids are recalculated for the new clusters, and the algorithm repeated by alternate applications of these two steps until convergence, which is obtained when the points no longer switch clusters (or alternatively centroids are no longer changed)." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200171 ! partitioning data transformation -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "k-means clustering" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/K-means" xsd:string +id: NMR:1000059 +name: obsolete_phosphoric acid +synonym: "H3PO4" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:26078 [Term] -id: OBI:0200042 -name: hierarchical clustering -def: "A hierarchical clustering is a data transformation which achieves a class discovery objective, which takes as input data item and builds a hierarchy of clusters. The traditional representation of this hierarchy is a tree (visualized by a dendrogram), with the individual input objects at one end (leaves) and a single cluster containing every object at the other (root)." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "hierarchical clustering" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/Data_clustering#Hierarchical_clustering" xsd:string - -[Term] -id: OBI:0200050 -name: dimensionality reduction -def: "A dimensionality reduction is data partitioning which transforms each input m-dimensional vector (x_1, x_2, ..., x_m) into an output n-dimensional vector (y_1, y_2, ..., y_n), where n is smaller than m." [] -is_a: APOLLO_SV:00000796 -is_a: OBI:0200175 ! class discovery data transformation -relationship: OBI:0000299 OBI:0000648 ! has_specified_output clustered data set -relationship: OBI:0000417 OBI:0200178 ! achieves_planned_objective class discovery objective -property_value: IAO:0000111 "dimensionality reduction" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000118 "data projection" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Melanie Courtot" xsd:string +id: NMR:1000060 +name: obsolete_phosphorus +synonym: "P4" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:37971 [Term] -id: OBI:0200051 -name: principal components analysis dimensionality reduction -def: "A principal components analysis dimensionality reduction is a dimensionality reduction achieved by applying principal components analysis and by keeping low-order principal components and excluding higher-order ones." [] -is_a: OBI:0200050 ! dimensionality reduction -property_value: IAO:0000111 "principal components analysis dimensionality reduction" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Philippe Rocca-Serra" xsd:string -property_value: IAO:0000118 "pca data reduction" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Melanie Courtot" xsd:string +id: NMR:1000061 +name: obsolete_trimethyl phosphate +synonym: "(CH3O)3PO" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:46324 [Term] -id: OBI:0200111 -name: data visualization -def: "A planned process with the objective to graphically represent some data by inputing the data and outputting images, diagrams or animations." [] -is_a: OBI:0000011 ! planned process -relationship: OBI:0000293 IAO:0000027 ! has_specified_input data item -relationship: OBI:0000293 IAO:0000027 {all_only="true"} ! has_specified_input data item -property_value: IAO:0000111 "data visualization" xsd:string -property_value: IAO:0000112 "Generation of a heatmap from a microarray dataset" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000117 "Melanie Courtot" xsd:string -property_value: IAO:0000117 "Tina Boussard" xsd:string -property_value: IAO:0000118 "data encoding as image" xsd:string -property_value: IAO:0000118 "visualization" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000119 "PERSON: Tina Boussard" xsd:string -property_value: IAO:0000232 "Possible future hierarchy might include this:\ninformation_encoding\n>data_encoding\n>>image_encoding" xsd:string - -[Term] -id: OBI:0200166 -name: data transformation objective -def: "An objective specification to transformation input data into output data" [] -is_a: IAO:0000005 -property_value: IAO:0000111 "data transformation objective" xsd:string -property_value: IAO:0000112 "normalize objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "Modified definition in 2013 Philly OBI workshop" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000062 +name: obsolete_triphenylphosphine +synonym: "P(C6H5)3" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:183318 [Term] -id: OBI:0200171 -name: partitioning data transformation -def: "A partitioning data transformation is a data transformation that has objective partitioning." [] -is_a: OBI:0200000 ! data transformation -relationship: OBI:0000417 OBI:0200172 ! achieves_planned_objective partitioning objective -property_value: IAO:0000111 "partitioning data transformation" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000063 +name: obsolete_triphenylphosphine oxide +synonym: "O=P(C6H5)3" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:36601 [Term] -id: OBI:0200172 -name: partitioning objective -def: "A partitioning objective is a data transformation objective where the aim is to generate a collection of disjoint non-empty subsets whose union equals a non-empty input set." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "partitioning objective" xsd:string -property_value: IAO:0000112 "A k-means clustering which has partitioning objective is a data transformation in which the input data is partitioned into k output sets." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Elisabetta Manduchi" xsd:string -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string +id: NMR:1000064 +name: co-dissolved internal reference +is_a: NMR:1002013 ! chemical shift reference [Term] -id: OBI:0200175 -name: class discovery data transformation -def: "A class discovery data transformation (sometimes called unsupervised classification) is a data transformation that has objective class discovery." [] -is_a: OBI:0200000 ! data transformation -property_value: IAO:0000111 "class discovery data transformation" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "clustering data transformation" xsd:string -property_value: IAO:0000118 "unsupervised classification data transformation" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string +id: NMR:1000065 +name: synthetic reference signal +is_a: NMR:1002013 ! chemical shift reference [Term] -id: OBI:0200178 -name: class discovery objective -def: "A class discovery objective (sometimes called unsupervised classification) is a data transformation objective where the aim is to organize input data (typically vectors of attributes) into classes, where the number of classes and their specifications are not known a priori. Depending on usage, the class assignment can be definite or probabilistic." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "class discovery objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "clustering objective" xsd:string -property_value: IAO:0000118 "discriminant analysis objective" xsd:string -property_value: IAO:0000118 "unsupervised classification objective" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string - -[Term] -id: OBI:0200179 -name: class prediction objective -def: "A class prediction objective (sometimes called supervised classification) is a data transformation objective where the aim is to create a predictor from training data through a machine learning technique. The training data consist of pairs of objects (typically vectors of attributes) and\nclass labels for these objects. The resulting predictor can be used to attach class labels to any valid novel input object. Depending on usage, the prediction can be definite or probabilistic. A classification is learned from the training data and can then be tested on test data." [] -is_a: OBI:0200166 ! data transformation objective -property_value: IAO:0000111 "class prediction objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "classification objective" xsd:string -property_value: IAO:0000118 "supervised classification objective" xsd:string -property_value: IAO:0000119 "PERSON: Elisabetta Manduchi" xsd:string -property_value: IAO:0000119 "PERSON: James Malone" xsd:string - -[Term] -id: OBI:0200188 -name: cross validation objective -def: "A cross validation objective is a data transformation objective in which the aim is to partition a sample of data into subsets such that the analysis is initially performed on a single subset, while the other subset(s) are retained for subsequent use in confirming and validating the initial analysis." [] -is_a: OBI:0200172 ! partitioning objective -property_value: IAO:0000111 "cross validation objective" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 "James Malone" xsd:string -property_value: IAO:0000118 "rotation estimation objective" xsd:string -property_value: IAO:0000119 "WEB: http://en.wikipedia.org/wiki/Cross_validation" xsd:string +id: NMR:1000066 +name: residual solvent signal +is_a: NMR:1002013 ! chemical shift reference [Term] -id: OBI:0200190 -name: clustered data visualization -def: "A data visualization which has input of a clustered data set and produces an output of a report graph which is capable of rendering data of this type." [] -is_a: OBI:0200111 ! data visualization -relationship: OBI:0000293 OBI:0000648 {all_only="true"} ! has_specified_input clustered data set -property_value: IAO:0000111 "clustered data visualization" xsd:string -property_value: IAO:0000114 IAO:0000123 -property_value: IAO:0000117 "James Malone" xsd:string +id: NMR:1000067 +name: FID zero filling +is_a: NMR:1400041 ! time domain data processing -[Typedef] -id: BFO:0000050 -name: part of -def: "a core relation that holds between a part and its whole" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000111 "is part of" xsd:string -property_value: IAO:0000112 "my brain is part of my body (continuant parthood, two material entities)" xsd:string -property_value: IAO:0000112 "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)" xsd:string -property_value: IAO:0000112 "this day is part of this year (occurrent parthood)" xsd:string -property_value: IAO:0000116 "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other." xsd:string -property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string -property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)\n\nA continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'." xsd:string -property_value: IAO:0000118 "part_of" xsd:string -property_value: RO:0001900 RO:0001901 -property_value: RO:0040042 BFO:0000002 -property_value: RO:0040042 BFO:0000003 -property_value: RO:0040042 BFO:0000004 -property_value: RO:0040042 BFO:0000017 -property_value: RO:0040042 BFO:0000019 -property_value: RO:0040042 BFO:0000020 -property_value: RO:0040042 BFO:0000031 -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Community:Parts_and_Collections -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:PartOf -property_value: seeAlso "http://www.obofoundry.org/ro/#OBO_REL:part_of" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Part_of" xsd:anyURI -is_transitive: true -is_a: RO:0002131 ! overlaps -inverse_of: BFO:0000051 ! has part +[Term] +id: NMR:1000068 +name: data extrapolation using linear prediction +is_a: NMR:1000067 ! FID zero filling -[Typedef] -id: BFO:0000051 -name: has part -def: "a core relation that holds between a whole and its part" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000111 "has part" xsd:string -property_value: IAO:0000112 "my body has part my brain (continuant parthood, two material entities)" xsd:string -property_value: IAO:0000112 "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" xsd:string -property_value: IAO:0000112 "this year has part this day (occurrent parthood)" xsd:string -property_value: IAO:0000116 "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." xsd:string -property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string -property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string -property_value: IAO:0000118 "has_part" xsd:string -property_value: RO:0001900 RO:0001901 -is_transitive: true -is_a: RO:0002131 ! overlaps +[Term] +id: NMR:1000069 +name: multiplying FID by window function +is_a: NMR:1400041 ! time domain data processing -[Typedef] -id: BFO:0000062 -name: preceded by -def: "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] -subset: ro-eco -property_value: http://purl.org/dc/terms/source "http://www.obofoundry.org/ro/#OBO_REL:preceded_by" xsd:string -property_value: IAO:0000111 "preceded by" xsd:string -property_value: IAO:0000116 "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other." xsd:string -property_value: IAO:0000118 "is preceded by" xsd:string -property_value: IAO:0000118 "preceded_by" xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000003 ! occurrent -holds_over_chain: BFO:0000050 BFO:0000062 -is_transitive: true -is_a: RO:0002086 ! ends after -inverse_of: BFO:0000063 ! precedes +[Term] +id: NMR:1000070 +name: FID fourier transformation +is_a: NMR:1400041 ! time domain data processing +property_value: skos:definition "The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems." xsd:string -[Typedef] -id: BFO:0000063 -name: precedes -def: "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point." [] -subset: ro-eco -property_value: IAO:0000111 "precedes" xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000003 ! occurrent -holds_over_chain: BFO:0000050 BFO:0000063 -is_transitive: true -is_a: RO:0002222 ! temporally related to +[Term] +id: NMR:1000071 +name: phase correction +synonym: "phasing" EXACT [] +synonym: "spectral phasing" EXACT [] +is_a: NMR:1400038 ! frequency domain data processing -[Typedef] -id: IAO:0000136 -name: is about -def: "A (currently) primitive relation that relates an information artifact to an entity." [] -property_value: IAO:0000112 "This document is about information artifacts and their representations" xsd:string -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "7/6/2009 Alan Ruttenberg. Following discussion with Jonathan Rees, and introduction of \"mentions\" relation. Weaken the is_about relationship to be primitive. \n\nWe will try to build it back up by elaborating the various subproperties that are more precisely defined.\n\nSome currently missing phenomena that should be considered \"about\" are predications - \"The only person who knows the answer is sitting beside me\" , Allegory, Satire, and other literary forms that can be topical without explicitly mentioning the topic." xsd:string -property_value: IAO:0000117 "person:Alan Ruttenberg" xsd:string -property_value: IAO:0000119 "Smith, Ceusters, Ruttenberg, 2000 years of philosophy" xsd:string +[Term] +id: NMR:1000072 +name: peak integration +is_a: NMR:1000015 ! peak processing -[Typedef] -id: OBI:0000293 -name: has_specified_input -def: "The inverse property of is_specified_input_of" [] -property_value: IAO:0000111 "has_specified_input" xsd:string -property_value: IAO:0000111 "has_specified_input" xsd:string -property_value: IAO:0000112 "see is_input_of example_of_usage" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000116 "8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works." xsd:string -property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Larry Hunter" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Coutot" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl -is_a: RO:0000057 ! has participant +[Term] +id: NMR:1000073 +name: peak alignment +is_a: NMR:1000015 ! peak processing -[Typedef] -id: OBI:0000295 -name: is_specified_input_of -def: "A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of." [] -property_value: IAO:0000111 "is_specified_input_of" xsd:string -property_value: IAO:0000112 "some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string -is_a: RO:0000056 ! participates in +[Term] +id: NMR:1000074 +name: peak shape fitting +is_a: NMR:1000258 ! peak fitting -[Typedef] -id: OBI:0000299 -name: has_specified_output -def: "The inverse property of is_specified_output_of" [] -property_value: IAO:0000111 "has_specified_output" xsd:string -property_value: IAO:0000111 "has_specified_output" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "PERSON: Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Larry Hunter" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl -is_a: RO:0000057 ! has participant +[Term] +id: NMR:1000075 +name: spectral referencing +is_a: NMR:1400038 ! frequency domain data processing -[Typedef] -id: OBI:0000312 -name: is_specified_output_of -def: "A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of." [] -property_value: IAO:0000111 "is_specified_output_of" xsd:string -property_value: IAO:0000111 "is_specified_output_of" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "Alan Ruttenberg" xsd:string -property_value: IAO:0000117 "PERSON:Bjoern Peters" xsd:string -property_value: IAO:0000412 http://purl.obolibrary.org/obo/obi.owl -is_a: RO:0000056 ! participates in +[Term] +id: NMR:1000077 +name: obsolete_sodium trimethylsilyl-propionate +synonym: "TMSP" EXACT [] +synonym: "trimethylsilyl propanoic acid" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: dce:source "Pohl, L.; Eckle, M. (1969). \"Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.\". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811" xsd:string +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85363 -[Typedef] -id: OBI:0000417 -name: achieves_planned_objective -def: "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process." [] -property_value: IAO:0000111 "achieves_planned_objective" xsd:string -property_value: IAO:0000112 "A cell sorting process achieves the objective specification 'material separation objective'" xsd:string -property_value: IAO:0000114 IAO:0000120 -property_value: IAO:0000117 "BP, AR, PPPB branch" xsd:string -property_value: IAO:0000119 "PPPB branch derived" xsd:string -property_value: IAO:0000232 "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch" xsd:string +[Term] +id: NMR:1000078 +name: linear scaling +comment: used to be 'linear scaling algorithm' +is_a: NMR:1000079 ! scaling -[Typedef] -id: RO:0000052 -name: characteristic of -def: "a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence." [] -comment: Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. -property_value: IAO:0000111 "inheres in" xsd:string -property_value: IAO:0000112 "this fragility is a characteristic of this vase" xsd:string -property_value: IAO:0000112 "this red color is a characteristic of this apple" xsd:string -property_value: IAO:0000118 "inheres_in" xsd:string -property_value: RO:0001900 RO:0001901 -is_functional: true -is_a: RO:0002314 ! characteristic of part of -inverse_of: RO:0000053 ! has characteristic +[Term] +id: NMR:1000079 +name: scaling +comment: used to be called 'scaling algorithm' +is_a: NMR:1400038 ! frequency domain data processing -[Typedef] -id: RO:0000053 -name: has characteristic -def: "Inverse of characteristic_of" [] -property_value: IAO:0000111 "bearer of" xsd:string -property_value: IAO:0000112 "this apple is bearer of this red color" xsd:string -property_value: IAO:0000112 "this vase is bearer of this fragility" xsd:string -property_value: IAO:0000116 "A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist." xsd:string -property_value: IAO:0000118 "bearer_of" xsd:string -property_value: IAO:0000118 "is bearer of" xsd:string -property_value: RO:0001900 RO:0001901 -range: BFO:0000020 ! specifically dependent continuant -is_inverse_functional: true +[Term] +id: NMR:1000080 +name: non-linear scaling +comment: used to be postfixed with algorithm +is_a: NMR:1000079 ! scaling -[Typedef] -id: RO:0000056 -name: participates in -def: "a relation between a continuant and a process, in which the continuant is somehow involved in the process" [] -property_value: IAO:0000111 "participates in" xsd:string -property_value: IAO:0000112 "this blood clot participates in this blood coagulation" xsd:string -property_value: IAO:0000112 "this input material (or this output material) participates in this process" xsd:string -property_value: IAO:0000112 "this investigator participates in this investigation" xsd:string -property_value: IAO:0000118 "participates_in" xsd:string -domain: BFO:0000002 ! continuant -range: BFO:0000003 ! occurrent -inverse_of: RO:0000057 ! has participant +[Term] +id: NMR:1000081 +name: total spectral area scaling +is_a: NMR:1000078 ! linear scaling -[Typedef] -id: RO:0000057 -name: has participant -def: "a relation between a process and a continuant, in which the continuant is somehow involved in the process" [] -property_value: http://purl.org/dc/terms/source "http://www.obofoundry.org/ro/#OBO_REL:has_participant" xsd:string -property_value: IAO:0000111 "has participant" xsd:string -property_value: IAO:0000112 "this blood coagulation has participant this blood clot" xsd:string -property_value: IAO:0000112 "this investigation has participant this investigator" xsd:string -property_value: IAO:0000112 "this process has participant this input material (or this output material)" xsd:string -property_value: IAO:0000116 "Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time." xsd:string -property_value: IAO:0000118 "has_participant" xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000002 ! continuant -holds_over_chain: BFO:0000051 RO:0000057 +[Term] +id: NMR:1000082 +name: probabilistic quotient normalization +is_a: NMR:1000078 ! linear scaling +property_value: dce:source "Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90." xsd:string -[Typedef] -id: RO:0000079 -name: function of -def: "a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this catalysis function is a function of this enzyme" xsd:string -property_value: IAO:0000116 "A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists." xsd:string -property_value: IAO:0000118 "function_of" xsd:string -property_value: IAO:0000118 "is function of" xsd:string -domain: BFO:0000034 ! function -is_a: RO:0000052 ! characteristic of -inverse_of: RO:0000085 ! has function +[Term] +id: NMR:1000083 +name: scaling by generalized logarithmic transformation +synonym: "glog scaling" EXACT [] +is_a: NMR:1000080 ! non-linear scaling -[Typedef] -id: RO:0000080 -name: quality of -def: "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this red color is a quality of this apple" xsd:string -property_value: IAO:0000116 "A quality inheres in its bearer at all times for which the quality exists." xsd:string -property_value: IAO:0000118 "is quality of" xsd:string -property_value: IAO:0000118 "quality_of" xsd:string -is_a: RO:0000052 ! characteristic of -inverse_of: RO:0000086 ! has quality +[Term] +id: NMR:1000084 +name: pareto scaling +is_a: NMR:1000080 ! non-linear scaling -[Typedef] -id: RO:0000081 -name: role of -def: "a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -property_value: IAO:0000112 "this investigator role is a role of this person" xsd:string -property_value: IAO:0000116 "A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists." xsd:string -property_value: IAO:0000118 "is role of" xsd:string -property_value: IAO:0000118 "role_of" xsd:string -is_a: RO:0000052 ! characteristic of -inverse_of: RO:0000087 ! has role +[Term] +id: NMR:1000085 +name: autoscaling +is_a: NMR:1000080 ! non-linear scaling -[Typedef] -id: RO:0000085 -name: has function -def: "a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)" xsd:string -property_value: IAO:0000116 "A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists." xsd:string -property_value: IAO:0000118 "has_function" xsd:string -domain: BFO:0000004 ! independent continuant -range: BFO:0000034 ! function -is_a: RO:0000053 ! has characteristic +[Term] +id: NMR:1000086 +name: 2D J-resolved spectrum +synonym: "JRES spectrum" EXACT [] +is_a: NMR:1400162 ! 2D spectrum -[Typedef] -id: RO:0000086 -name: has quality -def: "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this apple has quality this red color" xsd:string -property_value: IAO:0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist." xsd:string -property_value: IAO:0000118 "has_quality" xsd:string -range: BFO:0000019 ! quality -is_a: RO:0000053 ! has characteristic +[Term] +id: NMR:1000087 +name: MetaboLab software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://www.biomedcentral.com/1471-2105/12/366#B2" xsd:string -[Typedef] -id: RO:0000087 -name: has role -def: "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence" [] -property_value: IAO:0000112 "this person has role this investigator role (more colloquially: this person has this role of investigator)" xsd:string -property_value: IAO:0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists." xsd:string -property_value: IAO:0000118 "has_role" xsd:string -domain: BFO:0000004 ! independent continuant -range: BFO:0000023 ! role -is_a: RO:0000053 ! has characteristic +[Term] +id: NMR:1000088 +name: Metaboquant software +is_a: NMR:1000090 ! open source NMR software -[Typedef] -id: RO:0000091 -name: has disposition -def: "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence" [] -domain: BFO:0000004 ! independent continuant -range: BFO:0000016 ! disposition -is_a: RO:0000053 ! has characteristic -inverse_of: RO:0000092 ! disposition of +[Term] +id: NMR:1000089 +name: rNMR software +is_a: NMR:1000090 ! open source NMR software -[Typedef] -id: RO:0000092 -name: disposition of -def: "inverse of has disposition" [] -comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. -subset: RO:0002259 -is_a: RO:0000052 ! characteristic of +[Term] +id: NMR:1000090 +name: open source NMR software +is_a: NMR:1400213 ! NMR software -[Typedef] -id: RO:0002013 -name: has regulatory component activity -def: "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B." [] -is_a: RO:0002017 ! has component activity -is_a: RO:0002334 ! regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:30:46Z +[Term] +id: NMR:1000091 +name: commercial NMR software +is_a: NMR:1400213 ! NMR software -[Typedef] -id: RO:0002014 -name: has negative regulatory component activity -def: "A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B." [] -comment: By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. -is_a: RO:0002013 ! has regulatory component activity -is_a: RO:0002335 ! negatively regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:31:01Z +[Term] +id: NMR:1000092 +name: NMRLab software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208." xsd:string -[Typedef] -id: RO:0002015 -name: has positive regulatory component activity -def: "A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B." [] -comment: By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. -is_a: RO:0002013 ! has regulatory component activity -is_a: RO:0002336 ! positively regulated by -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:31:17Z +[Term] +id: NMR:1000093 +name: NMRPipe software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293." xsd:string -[Typedef] -id: RO:0002017 -name: has component activity -comment: A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. -is_a: RO:0002018 ! has component process -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:44:33Z +[Term] +id: NMR:1000094 +name: matNMR software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. " xsd:string -[Typedef] -id: RO:0002018 -name: has component process -def: "w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] -domain: BFO:0000015 ! process -range: BFO:0000015 ! process -is_a: RO:0002180 ! has component -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-05-24T09:49:21Z +[Term] +id: NMR:1000095 +name: concentration of chemical compound +is_a: NMR:1000861 ! chemical compound attribute -[Typedef] -id: RO:0002022 -name: directly regulated by -comment: Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. {xref="https://orcid.org/0000-0002-7073-9172"} -is_a: RO:0002334 ! regulated by -inverse_of: RO:0002578 ! directly regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:24Z +[Term] +id: NMR:1000096 +name: manual phase correction +is_a: NMR:1000071 ! phase correction -[Typedef] -id: RO:0002023 -name: directly negatively regulated by -def: "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." [https://orcid.org/0000-0002-7073-9172] -is_a: RO:0002022 ! directly regulated by -inverse_of: RO:0002630 ! directly negatively regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:38Z +[Term] +id: NMR:1000097 +name: automatic phase correction +is_a: NMR:1000071 ! phase correction -[Typedef] -id: RO:0002024 -name: directly positively regulated by -def: "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." [https://orcid.org/0000-0002-7073-9172] -is_a: RO:0002022 ! directly regulated by -inverse_of: RO:0002629 ! directly positively regulates -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-17T13:52:47Z +[Term] +id: NMR:1000098 +name: DC offset correction +is_a: NMR:1000071 ! phase correction -[Typedef] -id: RO:0002025 -name: has effector activity -def: "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." [https://orcid.org/0000-0002-7073-9172] -comment: This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. -is_functional: true -is_a: RO:0002017 ! has component activity -created_by: https://orcid.org/0000-0002-7073-9172 -creation_date: 2017-09-22T14:14:36Z +[Term] +id: NMR:1000099 +name: Gibbs multiplication +is_a: NMR:1400038 ! frequency domain data processing +property_value: dce:source "http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366" xsd:string -[Typedef] -id: RO:0002086 -name: ends after -comment: X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) -subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -is_transitive: true -is_a: RO:0002222 ! temporally related to +[Term] +id: NMR:1000100 +name: skyline projection +is_a: NMR:1400075 ! spectral projection -[Typedef] -id: RO:0002087 -name: immediately preceded by -comment: X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000118 "starts_at_end_of" xsd:string -is_a: BFO:0000062 ! preceded by -inverse_of: RO:0002090 ! immediately precedes +[Term] +id: NMR:1000101 +name: shifted sine window function +synonym: "shifted sine apodization" EXACT [] +is_a: NMR:1400071 ! sine window function -[Typedef] -id: RO:0002090 -name: immediately precedes -comment: X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) -subset: ro-eco -property_value: IAO:0000117 "David Osumi-Sutherland" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-7073-9172 -property_value: IAO:0000118 "ends_at_start_of" xsd:string -property_value: IAO:0000118 "meets" xsd:string -property_value: RO:0002575 BFO:0000063 -is_a: BFO:0000063 ! precedes +[Term] +id: NMR:1000102 +name: sinc window multiplication of FID (1D) +synonym: "SINC" EXACT [] +synonym: "Sinc window multiplication" EXACT [] +is_a: NMR:1400068 ! window function for apodization -[Typedef] -id: RO:0002131 -name: overlaps -def: "x overlaps y if and only if there exists some z such that x has part z and z part of y" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_gocam -subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: RO:0001900 RO:0001901 -holds_over_chain: BFO:0000050 BFO:0000050 -holds_over_chain: BFO:0000051 BFO:0000050 {RO:0002582="true"} -holds_over_chain: BFO:0000051 RO:0002131 -is_symmetric: true -is_a: RO:0002323 ! mereotopologically related to -transitive_over: BFO:0000050 ! part of -expand_expression_to: "http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)" [] +[Term] +id: NMR:1000103 +name: SEM window function +synonym: "combined sine-bell–exponential window function" EXACT [] +is_a: NMR:1400068 ! window function for apodization +property_value: dce:source "http://www.sciencedirect.com/science/article/pii/S0003267008000950" xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues/36" xsd:string -[Typedef] -id: RO:0002180 -name: has component -def: "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." [] -subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000116 "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity." xsd:string -property_value: IAO:0000232 "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit." xsd:string -property_value: RO:0001900 RO:0001901 -property_value: seeAlso http://ontologydesignpatterns.org/wiki/Submissions:Componency -is_a: BFO:0000051 ! has part +[Term] +id: NMR:1000104 +name: trapezoid window function +comment: Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0\n -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization. +synonym: "TRAP" EXACT [] +synonym: "trapezoid apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization -[Typedef] -id: RO:0002211 -name: regulates -def: "p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0001-7476-6306 -property_value: IAO:0000117 https://orcid.org/0000-0002-3837-8864 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 "GO" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000232 "Regulation precludes parthood; the regulatory process may not be within the regulated process." xsd:string -property_value: IAO:0000589 "regulates (processual)" xsd:string -property_value: IAO:0000600 "false" xsd:boolean -domain: BFO:0000015 ! process -range: BFO:0000015 ! process -holds_over_chain: RO:0002578 RO:0002578 -is_transitive: true -is_a: RO:0002411 ! causally upstream of -inverse_of: RO:0002334 ! regulated by -transitive_over: RO:0002025 ! has effector activity +[Term] +id: NMR:1000105 +name: shifted gaussian window function +is_a: NMR:1400070 ! Gaussian window function -[Typedef] -id: RO:0002212 -name: negatively regulates -def: "p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "negatively regulates (process to process)" xsd:string -property_value: RO:0004050 RO:0002211 -is_a: RO:0002211 ! regulates -is_a: RO:0002305 ! causally upstream of, negative effect -inverse_of: RO:0002335 ! negatively regulated by +[Term] +id: NMR:1000106 +name: baseline correction using spline function +is_a: NMR:1400074 ! baseline correction -[Typedef] -id: RO:0002213 -name: positively regulates -def: "p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "positively regulates (process to process)" xsd:string -property_value: RO:0004049 RO:0002211 -holds_over_chain: RO:0002212 RO:0002212 -is_transitive: true -is_a: RO:0002211 ! regulates -is_a: RO:0002304 ! causally upstream of, positive effect -inverse_of: RO:0002336 ! positively regulated by +[Term] +id: NMR:1000107 +name: heteronuclear single quantum coherence spectrum +synonym: "HSQC NMR spectrum" EXACT [] +is_a: NMR:1400162 ! 2D spectrum -[Typedef] -id: RO:0002215 -name: capable of -def: "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. " [] -subset: ro-eco -property_value: IAO:0000112 "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)" xsd:string -property_value: IAO:0000112 "osteoclast SubClassOf 'capable of' some 'bone resorption'" xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "has function realized in" xsd:string -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/20123131 -property_value: IAO:0000119 http://www.ncbi.nlm.nih.gov/pubmed/21208450 -property_value: IAO:0000232 "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\"." xsd:string -domain: BFO:0000004 ! independent continuant -range: BFO:0000015 ! process -is_a: RO:0002216 ! capable of part of +[Term] +id: NMR:1000108 +name: Zangger-Sterk pulse sequence +is_a: NMR:1400037 ! NMR pulse sequence -[Typedef] -id: RO:0002216 -name: capable of part of -def: "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p." [] -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "has function in" xsd:string -property_value: seeAlso http://purl.obolibrary.org/obo/ro/docs/reflexivity/ -holds_over_chain: RO:0002215 BFO:0000050 {RO:0002582="true"} -is_a: RO:0002328 ! functionally related to -is_a: RO:0002500 ! causal agent in process +[Term] +id: NMR:1000109 +name: pure shift 1D Zangger-Sterk pulse sequence +is_a: NMR:1000108 ! Zangger-Sterk pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/256" xsd:string -[Typedef] -id: RO:0002222 -name: temporally related to -comment: A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. -subset: ro-eco -property_value: http://purl.org/dc/terms/source "https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1" xsd:anyURI -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000119 https://en.wikipedia.org/wiki/Allen%27s_interval_algebra -property_value: IAO:0000232 "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends." xsd:string -domain: BFO:0000003 ! occurrent -range: BFO:0000003 ! occurrent +[Term] +id: NMR:1000110 +name: oneshot pulse sequence +is_a: NMR:1400037 ! NMR pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/264" xsd:string -[Typedef] -id: RO:0002233 -name: has input -def: "p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -subset: ro-eco -property_value: IAO:0000114 IAO:0000125 -property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 -property_value: IAO:0000118 "consumes" xsd:string -property_value: seeAlso "https://wiki.geneontology.org/Has_input" xsd:anyURI -domain: BFO:0000015 ! process -is_a: RO:0000057 ! has participant -inverse_of: RO:0002352 ! input of +[Term] +id: NMR:1000111 +name: pure shift oneshot pulse sequence +is_a: NMR:1000110 ! oneshot pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/265" xsd:string -[Typedef] -id: RO:0002263 -name: acts upstream of -def: "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: IAO:0000112 "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision." xsd:string -property_value: seeAlso http://wiki.geneontology.org/index.php/Acts_upstream_of -holds_over_chain: RO:0002327 RO:0002411 -is_a: RO:0002264 ! acts upstream of or within +[Term] +id: NMR:1000112 +name: perfect echo watergate pulse sequence +synonym: "PE Watergate pulse sequence" EXACT [] +is_a: NMR:1400037 ! NMR pulse sequence +property_value: dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/285" xsd:string + +[Term] +id: NMR:1000113 +name: NMR Star 3.1 file format +is_a: NMR:1400285 ! NMR software data format + +[Term] +id: NMR:1000114 +name: NMR Star 2.1 file format +is_a: NMR:1400285 ! NMR software data format + +[Term] +id: NMR:1000115 +name: 3D spectrum +synonym: "three dimensional spectrum" EXACT [] +is_a: NMR:1000117 ! NMR spectrum by dimensionality + +[Term] +id: NMR:1000116 +name: 4D spectrum +synonym: "four dimensional spectrum" EXACT [] +is_a: NMR:1000117 ! NMR spectrum by dimensionality + +[Term] +id: NMR:1000117 +name: NMR spectrum by dimensionality +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000120 +name: homonuclear chemical shift spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000121 +name: heteronuclear chemical shift spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000122 +name: Bruker instrument model +namespace: NMR +def: "Bruker instrument model." [MSI:NMR] +is_a: NMR:1000031 ! NMR instrument model + +[Term] +id: NMR:1000123 +name: homonuclear exchange spectroscopy spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000124 +name: heteronuclear exchange spectroscopy spectrum +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000128 +name: homonuclear J-resolved spectrum +is_a: NMR:1000086 ! 2D J-resolved spectrum + +[Term] +id: NMR:1000129 +name: heteronuclear J-resolved spectrum +is_a: NMR:1000086 ! 2D J-resolved spectrum + +[Term] +id: NMR:1000130 +name: calibration test spectrum +is_a: NMR:1000200 ! NMR spectrum by processing step + +[Term] +id: NMR:1000131 +name: NMR star software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000132 +name: Felix software +is_a: NMR:1000091 ! commercial NMR software +property_value: dce:source "http://www.felixnmr.com/" xsd:string + +[Term] +id: NMR:1000133 +name: PIPP software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000134 +name: TALOS+ software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000135 +name: CYANA software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://www.cyana.org/wiki/index.php/Main_Page" xsd:string + +[Term] +id: NMR:1000136 +name: XPLOR-NIH software +is_a: NMR:1400213 ! NMR software +property_value: dce:source "http://nmr.cit.nih.gov/xplor-nih/" xsd:string + +[Term] +id: NMR:1000137 +name: computed concentration +is_a: NMR:1000095 ! concentration of chemical compound +property_value: skos:editorialNote "request these in UO ?" xsd:string + +[Term] +id: NMR:1000138 +name: XEASY software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY" xsd:string + +[Term] +id: NMR:1000139 +name: sparky software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000140 +name: CARA software +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "http://nmr-software.blogspot.de/2007/04/cara.html" xsd:string + +[Term] +id: NMR:1000141 +name: Wattos software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000142 +name: MADNMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000143 +name: Pronto software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000144 +name: TRIAD NMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000145 +name: library based computed concentration +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000146 +name: Lorenzian estimated concentration +comment: https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing +synonym: "Lorenzian (-Integration) (Modeled Area) Estimated Concentration" EXACT [] +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000147 +name: measured area based concentration +synonym: "Measured Area (Integration) based Concentration" EXACT [] +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000148 +name: time-domain amplitude computed concentration +is_a: NMR:1000137 ! computed concentration + +[Term] +id: NMR:1000149 +name: group time delay compensation +is_a: NMR:1400041 ! time domain data processing +property_value: seeAlso "http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html" xsd:string +property_value: skos:definition "This is independent of the bruker acquisition parameter named \"GRPDLY\" (Group Delay), but this is a \"shift\" applied on the fid to calibrate its zero" xsd:string + +[Term] +id: NMR:1000150 +name: scaling by forward linear prediction +is_a: NMR:1000068 ! data extrapolation using linear prediction + +[Term] +id: NMR:1000151 +name: back calculation of first points by linear-prediction +is_a: NMR:1000068 ! data extrapolation using linear prediction + +[Term] +id: NMR:1000152 +name: scaling by mirror image linear prediction +is_a: NMR:1000068 ! data extrapolation using linear prediction + +[Term] +id: NMR:1000153 +name: digital filtering +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000154 +name: 3D strip plot generation +is_a: NMR:1000435 ! plot and graph generation +property_value: dce:source "http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html" xsd:string +property_value: IAO:0000119 "Daniel Schober" xsd:string +property_value: skos:definition "A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins.\nThe first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus." xsd:string + +[Term] +id: NMR:1000155 +name: Batman software +is_a: NMR:1000090 ! open source NMR software + +[Term] +id: NMR:1000156 +name: JEOL instrument model +is_a: NMR:1000031 ! NMR instrument model + +[Term] +id: NMR:1000157 +name: tecmag instrument model +is_a: NMR:1000031 ! NMR instrument model + +[Term] +id: NMR:1000158 +name: automatic baseline recognition +is_a: NMR:1400074 ! baseline correction +property_value: dce:source "Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43" xsd:string +property_value: dce:source "Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125" xsd:string + +[Term] +id: NMR:1000159 +name: obsolete_Trimethylsilyl propionate +synonym: "TSP" EXACT [] +is_a: oboInOwl:ObsoleteClass +property_value: IAO:0000116 "Deprecated in favor of CHEBI equivalent class." xsd:string +property_value: IAO:0000231 IAO:0000228 +is_obsolete: true +replaced_by: CHEBI:85363 + +[Term] +id: NMR:1000160 +name: TMIC lab pulse sequence +synonym: "pulse sequence from Wishart lab library" EXACT [] +is_a: NMR:1400037 ! NMR pulse sequence + +[Term] +id: NMR:1000161 +name: probe gradient strength +is_a: NMR:1400027 ! field strength + +[Term] +id: NMR:1000162 +name: NMR acquisition computer operating system +is_a: NMR:1400213 ! NMR software +property_value: dce:coverage "e.g. Linux or Windows, ..." xsd:string + +[Term] +id: NMR:1000163 +name: NMR autosampler software +is_a: NMR:1400213 ! NMR software +property_value: dce:coverage "e.g. Bruker Biospin ICON-NMR" xsd:string + +[Term] +id: NMR:1000164 +name: Bruker Biospin ICON-NMR software +is_a: NMR:1000163 ! NMR autosampler software +property_value: seeAlso "http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html" xsd:string + +[Term] +id: NMR:1000165 +name: buffer pH +is_a: NMR:1002011 ! pH + +[Term] +id: NMR:1000166 +name: field frequency lock +synonym: "lock frequency" EXACT [] +is_a: NMR:1000548 ! sample attribute +property_value: dce:coverage "e.g. heavy water (D2O)" xsd:string + +[Term] +id: NMR:1000167 +name: concentration calibration compound +def: "A calibration compound that has a role concentration calibration compound in nuclear magnetic resonance (NMR) spectroscopy." [] +synonym: "quantitation standard" EXACT [] +is_a: NMR:1400032 ! calibration compound +intersection_of: NMR:1400032 ! calibration compound +intersection_of: has_role NMR:0002007 ! NMR concentration calibration compound role +relationship: has_role NMR:0002007 ! NMR concentration calibration compound role +property_value: IAO:0000233 https://github.com/nmrML/nmrCV/issues/4 + +[Term] +id: NMR:1000168 +name: NMR acquisition software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000169 +name: CIMR MI standard +is_a: NMR:1000900 ! minimum information standard + +[Term] +id: NMR:1000170 +name: signal line width check +is_a: NMR:1400116 ! NMR quality check + +[Term] +id: NMR:1000171 +name: signal line width at five percent intensity check +is_a: NMR:1000170 ! signal line width check + +[Term] +id: NMR:1000172 +name: NMR spectrum descriptor +is_a: BFO:0000031 ! generically dependent continuant + +[Term] +id: NMR:1000173 +name: pulse width +is_a: NMR:1000190 ! pulse parameter + +[Term] +id: NMR:1000174 +name: hard pulse width +is_a: NMR:1000173 ! pulse width + +[Term] +id: NMR:1000175 +name: sweep width +synonym: "spectrum width" EXACT [] +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000176 +name: number of data points +synonym: "number of data points in spectrum" EXACT [] +synonym: "number of first dimension data points" EXACT [] +is_a: NMR:1000013 ! 1D spectrum coordinate system descriptor + +[Term] +id: NMR:1000177 +name: x end value +def: "tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum." [] +is_a: NMR:1000013 ! 1D spectrum coordinate system descriptor + +[Term] +id: NMR:1000178 +name: y-axis type +is_a: NMR:1000013 ! 1D spectrum coordinate system descriptor + +[Term] +id: NMR:1000179 +name: center of bin on x-axis +synonym: "bucket x center" EXACT [] +is_a: NMR:1002014 ! binned spectrum descriptor + +[Term] +id: NMR:1000180 +name: spectral quantitation algorithm +synonym: "NMR spectrum quantification method" EXACT [] +is_a: NMR:1002014 ! binned spectrum descriptor + +[Term] +id: NMR:1000181 +name: NMRProcFlow software +def: "The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization." [] +is_a: NMR:1000090 ! open source NMR software +property_value: foaf:homepage "http://www.nmrprocflow.org/" xsd:string + +[Term] +id: NMR:1000182 +name: Bayesil software +def: "Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture." [] +is_a: NMR:1000090 ! open source NMR software +property_value: dce:source "Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219." xsd:string +property_value: foaf:homepage "http://bayesil.ca/" xsd:string + +[Term] +id: NMR:1000183 +name: nmrML Assign +def: "nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format." [] +comment: Uses JspectraView Software +is_a: NMR:1000182 ! Bayesil software +property_value: foaf:homepage "http://nmrml.bayesil.ca/" xsd:string + +[Term] +id: NMR:1000184 +name: doublet feature +synonym: "d" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000185 +name: triplet feature +synonym: "t" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000186 +name: quatruplet feature +synonym: "q" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000188 +name: cluster of peaks across samples +def: "a set of peaks that are highly correlated in a series of samples" [] +is_a: NMR:1000524 ! data file content +property_value: dce:coverage "a feature request by Daniel Jacob inserted at IBP hackathon" xsd:string + +[Term] +id: NMR:1000189 +name: simulated spectrum +is_a: NMR:1000200 ! NMR spectrum by processing step + +[Term] +id: NMR:1000190 +name: pulse parameter +is_a: NMR:1400101 ! parameter + +[Term] +id: NMR:1000191 +name: JEOL FID format +is_a: NMR:1000767 ! FID format + +[Term] +id: NMR:1000192 +name: doublet of doublets feature +synonym: "dd" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000193 +name: ABX multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: foaf:homepage "http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm" xsd:string +property_value: skos:definition "AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods." xsd:string + +[Term] +id: NMR:1000194 +name: singlet feature +synonym: "s" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000195 +name: quintet feature +synonym: "qi" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000196 +name: doublet of triplets +synonym: "dt" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000197 +name: triplet of douplets +synonym: "td" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000198 +name: triplet of triplets +synonym: "tt" EXACT [] +is_a: NMR:1400006 ! multiplicity feature + +[Term] +id: NMR:1000199 +name: NMR spectrum by pulse sequence +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000200 +name: NMR spectrum by processing step +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000201 +name: 2D spectrum coordinate system descriptor +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000202 +name: y-axis value type +is_a: NMR:1000201 ! 2D spectrum coordinate system descriptor +property_value: seeAlso "the subclasses come from the Rubtsov specification" xsd:string + +[Term] +id: NMR:1000203 +name: power value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000204 +name: magnitude value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000205 +name: real value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000206 +name: imaginary value type +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000207 +name: complex value types +is_a: NMR:1000202 ! y-axis value type + +[Term] +id: NMR:1000208 +name: spectral projection axis +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000209 +name: f1 axis +is_a: NMR:1000208 ! spectral projection axis + +[Term] +id: NMR:1000210 +name: f2 axis +is_a: NMR:1000208 ! spectral projection axis + +[Term] +id: NMR:1000211 +name: NMR Format converter +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000212 +name: BML-NMR identifier +is_a: NMR:1000022 ! metabolomics database identifier + +[Term] +id: NMR:1000214 +name: DEPRECATED creatinine +comment: DEPRECATED will be further specified via a concentration value +comment: Not considered relevant anymore. +is_obsolete: true + +[Term] +id: NMR:1000220 +name: 2D pulse sequence +is_a: NMR:1400037 ! NMR pulse sequence + +[Term] +id: NMR:1000221 +name: data simulation +comment: used to be labeled 'NMR spectrum simulation' +is_a: NMR:1400063 ! data transformation + +[Term] +id: NMR:1000222 +name: dynamic nuclear polarization NMR instrument +synonym: "DNP NMR" EXACT [] +synonym: "dynamic nuclear polarization enhanced NMR system" EXACT [] +is_a: NMR:1400059 ! NMR instrument + +[Term] +id: NMR:1000223 +name: chemical shift +def: "Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis" [] +is_a: NMR:1000172 ! NMR spectrum descriptor +property_value: dce:source "http://en.wikipedia.org/wiki/Chemical_shift" xsd:string + +[Term] +id: NMR:1000224 +name: nmr signal intensity +def: "an information object that describes the strength of the NMR signal" [] +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000225 +name: baseline correction using polynomial function +is_a: NMR:1400074 ! baseline correction + +[Term] +id: NMR:1000226 +name: first transient of the tnnoesy-presaturation pulse sequence +is_a: NMR:1000220 ! 2D pulse sequence + +[Term] +id: NMR:1000227 +name: Varian acquisition parameter file +is_a: NMR:1002006 ! acquisition parameter file + +[Term] +id: NMR:1000228 +name: procpar +is_a: NMR:1000252 ! Varian processing parameter file + +[Term] +id: NMR:1000229 +name: acqus +is_a: NMR:1000230 ! Bruker acquisition parameter file + +[Term] +id: NMR:1000230 +name: Bruker acquisition parameter file +is_a: NMR:1002006 ! acquisition parameter file + +[Term] +id: NMR:1000231 +name: peak feature +namespace: NMR +is_a: NMR:1000172 ! NMR spectrum descriptor + +[Term] +id: NMR:1000232 +name: global +is_a: NMR:1000227 ! Varian acquisition parameter file + +[Term] +id: NMR:1000233 +name: Varian autosampler +is_a: NMR:1400002 ! NMR autosampler + +[Term] +id: NMR:1000234 +name: Varian SMS 50 +is_a: NMR:1000233 ! Varian autosampler + +[Term] +id: NMR:1000235 +name: Varian probe +is_a: NMR:1400014 ! NMR probe + +[Term] +id: NMR:1000236 +name: 5mm HCN probe +is_a: NMR:1000237 ! Varian liquid cold probe + +[Term] +id: NMR:1000237 +name: Varian liquid cold probe +is_a: NMR:1000235 ! Varian probe + +[Term] +id: NMR:1000238 +name: reference compound NMR spectrum +comment: e.g as in HMDB +is_a: NMR:1002007 ! NMR spectrum + +[Term] +id: NMR:1000239 +name: Mestrelab software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000240 +name: ACD spectrus software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000241 +name: Mat NMR 3 software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000242 +name: NMRLab software +is_a: NMR:1000531 ! software + +[Term] +id: NMR:1000243 +name: Spinworks NMR software +is_a: NMR:1000531 ! software + +[Term] +id: NMR:1000244 +name: NMR software vendor +is_a: NMR:1001267 ! software vendor + +[Term] +id: NMR:1000245 +name: Spinworks +is_a: NMR:1000244 ! NMR software vendor + +[Term] +id: NMR:1000246 +name: iNMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000247 +name: NMR pipe +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000248 +name: cule NMR software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000249 +name: Matlab to nmrML converter +comment: By Batman/ Tim Ebbels Group +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Matlab" xsd:string + +[Term] +id: NMR:1000250 +name: Bruker processing parameter file +is_a: NMR:1400123 ! processing parameter file + +[Term] +id: NMR:1000251 +name: procs +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000252 +name: Varian processing parameter file +is_a: NMR:1400123 ! processing parameter file + +[Term] +id: NMR:1000253 +name: Madison Metabolomics Consortium Database MMCD identifier +comment: PRS: rename 'identifyer' to 'identifier' +is_a: NMR:1000022 ! metabolomics database identifier +property_value: dce:source "http://mmcd.nmrfam.wisc.edu/" xsd:string + +[Term] +id: NMR:1000254 +name: Bigg metabolomics database identifier +is_a: NMR:1000022 ! metabolomics database identifier +property_value: dce:source "http://bigg.ucsd.edu/" xsd:string + +[Term] +id: NMR:1000255 +name: Lorentz Gaussian window function +comment: Functional form:\n gm(x_i) = exp(e - g*g)\n Where: e = pi*i*g1\n g = 0.6*pi*g2*(g3*(size-1)-i)\n Parameters:\n * data Array of spectral data.\n * g1 Inverse exponential width.\n * g2 Gaussian broaden width.\n * g3 Location of gauss maximum.\n * inv Set True for inverse apodization. +synonym: "Lorentz-to-Gauss apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000256 +name: traf window function +synonym: "TRAF" EXACT [] +synonym: "Transform of Reverse Added FIDs" EXACT [] +is_a: NMR:1400068 ! window function for apodization +property_value: skos:definition "A Window function described by Daniel Traficante in their original paper." xsd:string + +[Term] +id: NMR:1000257 +name: trafs window function +synonym: "TRAFS" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000258 +name: peak fitting +is_a: NMR:1000015 ! peak processing + +[Term] +id: NMR:1000259 +name: peak assignment +is_a: NMR:1000015 ! peak processing + +[Term] +id: NMR:1000260 +name: deconvolution +is_a: NMR:1000015 ! peak processing + +[Term] +id: NMR:1000261 +name: chemical shift sorting +def: "A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks." [] +is_a: NMR:1400038 ! frequency domain data processing + +[Term] +id: NMR:1000262 +name: fid file +is_a: NMR:1000264 ! Bruker FID file + +[Term] +id: NMR:1000263 +name: Varian FID file +is_a: NMR:1400119 ! FID file + +[Term] +id: NMR:1000264 +name: Bruker FID file +is_a: NMR:1400119 ! FID file + +[Term] +id: NMR:1000265 +name: ERVA-based bucketing +comment: Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing +is_a: NMR:1400138 ! bucketing +property_value: dce:source "Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061" xsd:string + +[Term] +id: NMR:1000266 +name: cluster of peaks +is_a: NMR:1002014 ! binned spectrum descriptor + +[Term] +id: NMR:1000267 +name: Match NMR tube +is_a: NMR:1000271 ! Bruker tube + +[Term] +id: NMR:1000268 +name: shaped tube +is_a: NMR:1000271 ! Bruker tube + +[Term] +id: NMR:1000269 +name: Shigemi tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000270 +name: standard tube +is_a: NMR:1000271 ! Bruker tube + +[Term] +id: NMR:1000271 +name: Bruker tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000272 +name: JEOL magnet +is_a: NMR:1400185 ! NMR magnet +property_value: foaf:homepage "http://www.jeolusa.com/PRODUCTS/Nuclear-Magnetic-Resonance/Magnets" xsd:string + +[Term] +id: NMR:1000273 +name: JEOL ECS magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000274 +name: JEOL ECA magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000275 +name: JEOL ECX magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000276 +name: Varian NMR software +is_a: NMR:1000091 ! commercial NMR software + +[Term] +id: NMR:1000277 +name: VnmrJ software +is_a: NMR:1000276 ! Varian NMR software + +[Term] +id: NMR:1000278 +name: Wilmad tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000283 +name: 4mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000284 +name: 2.5mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000285 +name: 3mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000286 +name: 5mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000287 +name: 1mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000288 +name: 1.7mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000289 +name: 2mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000290 +name: 4.25mm Match tube +is_a: NMR:1000267 ! Match NMR tube + +[Term] +id: NMR:1000291 +name: 3mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000292 +name: 5mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000293 +name: 1mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000294 +name: 1.7mm standard tube +is_a: NMR:1000270 ! standard tube + +[Term] +id: NMR:1000295 +name: Wilmad economy tube +is_a: NMR:1000278 ! Wilmad tube + +[Term] +id: NMR:1000296 +name: Wilmad precision tube +is_a: NMR:1000278 ! Wilmad tube + +[Term] +id: NMR:1000297 +name: Norell tube +is_a: NMR:1400132 ! NMR sample tube + +[Term] +id: NMR:1000298 +name: JEOL FID file +is_a: NMR:1400119 ! FID file + +[Term] +id: NMR:1000299 +name: nmRIO +comment: R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R" xsd:string + +[Term] +id: NMR:1000300 +name: rNMR-IO +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R\\rNMR-IO" xsd:string + +[Term] +id: NMR:1000301 +name: Vendor2nmrML_Java +def: "Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data.\nAs nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed.\n\nThe first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files.\n\nThe second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step." [] +comment: Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion. +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Java\\converter" xsd:string + +[Term] +id: NMR:1000302 +name: Varian magnet +synonym: "Agilent magnet" EXACT [] +is_a: NMR:1400185 ! NMR magnet + +[Term] +id: NMR:1000303 +name: premium compact narrow bore magnet +is_a: NMR:1000302 ! Varian magnet + +[Term] +id: NMR:1000304 +name: premium shielded narrow bore magnet +is_a: NMR:1000302 ! Varian magnet + +[Term] +id: NMR:1000305 +name: premium shielded wide bore magnet +is_a: NMR:1000302 ! Varian magnet + +[Term] +id: NMR:1000306 +name: modified Gaussian window function +comment: Functional form:\n gmb(x_i) = exp(-a*i - b*i*i)\n Parameters:\n * data Array of spectral data.\n * a Exponential term.\n * b Gaussian term.\n * inv Set True for inverse apodization. +synonym: "modified gaussian apodization" EXACT [] +is_a: NMR:1400070 ! Gaussian window function + +[Term] +id: NMR:1000307 +name: exponentially damped J-modulation window function +comment: Functional form:\n jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1))\n Parameters:\n * data Array of spectral data.\n * e Exponential term.\n * off Start of modulation in fraction of pi radians.\n * end End of modulation in fraction of pi radians.\n * inv Set True for inverse apodization +synonym: "exponentially damped J-modulation apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000308 +name: shifted sine bell window function +comment: Functional form:\n sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow\n Parameters:\n * data Array of spectral data.\n * start Start of Sine-Bell as percent of vector (0.0 -> 1.0)\n * end End of Sine-Bell as percent of vector (0.0 -> 1.0 )\n * pow Power of Sine-Bell\n * inv Set True for inverse apodization. +synonym: "shifted sine-bell apodization" EXACT [] +is_a: NMR:1400071 ! sine window function + +[Term] +id: NMR:1000309 +name: triangle window function +comment: Functional form:\n 0:loc linear increase/decrease from lHi to 1.0\n loc: linear increase/decrease from 1.0 to rHi\n\n Parameters:\n * data Array of spectral data.\n * loc Location of apex, "auto" sets to middle.\n * lHi Left side starting height.\n * rHi Right side starting height.\n * inv Set True for inverse apodization. +synonym: "triangle apodization" EXACT [] +is_a: NMR:1400068 ! window function for apodization + +[Term] +id: NMR:1000310 +name: acquisition log file +def: "The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry." [] +is_a: NMR:1400267 ! data file + +[Term] +id: NMR:1000311 +name: PynmrML +comment: A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton. +is_a: NMR:1000211 ! NMR Format converter +property_value: dce:source "Git: nmrML\\tools\\Parser_and_Converters\\python" xsd:string + +[Term] +id: NMR:1000312 +name: MetaboAnalyst software +def: "A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources." [] +comment: Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380 +is_a: NMR:1400213 ! NMR software +property_value: foaf:homepage "www.metaboanalyst.ca" xsd:string + +[Term] +id: NMR:1000313 +name: acqu2s +is_a: NMR:1000230 ! Bruker acquisition parameter file + +[Term] +id: NMR:1000314 +name: acqu3s +is_a: NMR:1000230 ! Bruker acquisition parameter file + +[Term] +id: NMR:1000315 +name: proc2s +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000316 +name: proc3s +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000317 +name: NMR spectrum file +is_a: NMR:1400267 ! data file + +[Term] +id: NMR:1000318 +name: Bruker NMR spectrum file +is_a: NMR:1000317 ! NMR spectrum file + +[Term] +id: NMR:1000319 +name: 1R file +is_a: NMR:1000318 ! Bruker NMR spectrum file + +[Term] +id: NMR:1000320 +name: title file +is_a: NMR:1000250 ! Bruker processing parameter file + +[Term] +id: NMR:1000321 +name: XEASY software +def: "A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes." [] +is_a: NMR:1400213 ! NMR software +property_value: dce:source "Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486" xsd:string + +[Term] +id: NMR:1000322 +name: NMR spectrum vizualisation software +is_a: NMR:1400213 ! NMR software + +[Term] +id: NMR:1000323 +name: JspectraView software +comment: Used in NMR Assign tool for Baysil +is_a: NMR:1000322 ! NMR spectrum vizualisation software + +[Term] +id: NMR:1000324 +name: cryoprobe +is_a: NMR:1400014 ! NMR probe + +[Term] +id: NMR:1000325 +name: inverse detection NMR probe +is_a: NMR:1400014 ! NMR probe + +[Term] +id: NMR:1000326 +name: 5mm inverse detection cryoprobe +is_a: NMR:1000236 ! 5mm HCN probe +is_a: NMR:1000324 ! cryoprobe +is_a: NMR:1000325 ! inverse detection NMR probe +is_a: NMR:1400243 ! solid NMR probe + +[Term] +id: NMR:1000327 +name: NMRViewer software +comment: Developed by Daniel Jacob, INRA Bordeaux +is_a: NMR:1000322 ! NMR spectrum vizualisation software +property_value: dce:source "Git: nmrML\\tools\\Visualizers\\PMB_NMRviewer" xsd:string +property_value: skos:example "http://services.cbib.u-bordeaux2.fr/SPECNMR/examples" xsd:string + +[Term] +id: NMR:1000328 +name: material processing +is_a: BFO:0000015 ! process + +[Term] +id: NMR:1000329 +name: AB multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000330 +name: NMR solvent (molecular entity) {skos:editorialNote="We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI."} +def: "A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy" [] +is_a: CHEBI:23367 {is_inferred="true"} ! molecular entity +intersection_of: CHEBI:23367 ! molecular entity +intersection_of: has_role CHEBI:197449 ! NMR solvent +relationship: has_role CHEBI:197449 ! NMR solvent +property_value: IAO:0000111 "NMR solvent" xsd:string + +[Term] +id: NMR:1000331 +name: NMR buffer +comment: Use Chebi entities here. +is_a: CHEBI:23367 ! molecular entity + +[Term] +id: NMR:1000332 +name: presat water suppression +is_a: NMR:1400066 ! pre-acquisition water suppression + +[Term] +id: NMR:1000333 +name: Varian VNMRS 600 +is_a: NMR:1000395 ! Varian VNMRS instrument + +[Term] +id: NMR:1000334 +name: data content encoding +is_a: NMR:1000343 ! data encoding parameter + +[Term] +id: NMR:1000335 +name: data compression scheme +is_a: NMR:1000343 ! data encoding parameter + +[Term] +id: NMR:1000336 +name: byte format +is_a: NMR:1000334 ! data content encoding + +[Term] +id: NMR:1000337 +name: zlib +is_a: NMR:1000341 ! binary data compression type + +[Term] +id: NMR:1000338 +name: complex64 +is_a: NMR:1000336 ! byte format +property_value: skos:definition "This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values." xsd:string + +[Term] +id: NMR:1000339 +name: complex128 +is_a: NMR:1000336 ! byte format +property_value: skos:definition "This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values." xsd:string + +[Term] +id: NMR:1000341 +name: binary data compression type +is_a: NMR:1000335 ! data compression scheme + +[Term] +id: NMR:1000342 +name: AB2 multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000343 +name: data encoding parameter +is_a: NMR:1400101 ! parameter + +[Term] +id: NMR:1000344 +name: uncompressed data +is_a: NMR:1000341 ! binary data compression type + +[Term] +id: NMR:1000345 +name: digital signal processing firmware version +def: "DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer" [] +synonym: "DSPFVS" EXACT [] +is_a: NMR:1000496 ! instrument attribute + +[Term] +id: NMR:1000346 +name: decimation factor +def: "DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid." [] +synonym: "DECIM" EXACT [] +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000347 +name: group time delay +def: "GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. \"The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.\")" [] +synonym: "GRPDLY" EXACT [] +is_a: NMR:1001954 ! NMR acquisition parameter + +[Term] +id: NMR:1000348 +name: NMR sampling strategy +is_a: NMR:1001954 ! NMR acquisition parameter +property_value: skos:definition "a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition." xsd:string + +[Term] +id: NMR:1000349 +name: uniform sampling +synonym: "continuous sampling" EXACT [] +is_a: NMR:1000348 ! NMR sampling strategy +property_value: skos:definition "With uniform sampling, each sample is separated by the \"dwell time\"." xsd:string +property_value: skos:editorialNote "With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform" xsd:string + +[Term] +id: NMR:1000350 +name: non-uniform sampling +synonym: "sparse sampling" EXACT [] +is_a: NMR:1000348 ! NMR sampling strategy +property_value: dce:source "http://link.springer.com/chapter/10.1007%2F1-4020-3910-7_142#page-1" xsd:string +property_value: skos:definition "with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data." xsd:string +property_value: skos:editorialNote "Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly" xsd:string + +[Term] +id: NMR:1000352 +name: Bruker XWIN-NMR software +is_a: NMR:1000168 ! NMR acquisition software + +[Term] +id: NMR:1000353 +name: software attribute +is_a: BFO:0000031 ! generically dependent continuant + +[Term] +id: NMR:1000354 +name: NMR software version +is_a: NMR:1000353 ! software attribute + +[Term] +id: NMR:1000355 +name: ABX3 multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000356 +name: AA'BB' multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000357 +name: AA'XX' multiplet pattern +is_a: NMR:1400305 ! multiplet feature +property_value: dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" xsd:string + +[Term] +id: NMR:1000358 +name: variable size bucketing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000359 +name: uniform bucketing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000360 +name: intelligent bucketing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000361 +name: bucket importing +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000362 +name: bucket resetting +comment: put in as reqired by NMRProcFlow tool +is_a: NMR:1400138 ! bucketing + +[Term] +id: NMR:1000363 +name: global baseline correction +comment: as needed for nmrProcFlow +is_a: NMR:1400074 ! baseline correction + +[Term] +id: NMR:1000364 +name: local baseline correction +comment: as needed for nmrProcFlow +is_a: NMR:1400074 ! baseline correction + +[Term] +id: NMR:1000365 +name: bucket fusioning +is_a: NMR:1000362 ! bucket resetting + +[Term] +id: NMR:1000368 +is_a: oboInOwl:ObsoleteClass + +[Term] +id: NMR:1000369 +name: JNM-ECZR Series FT NMR instrument +is_a: NMR:1400226 ! JEOL NMR instrument +property_value: skos:definition "JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies.\nImproved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories.\nThe bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control.\n400 MHz - 1 GHz" xsd:string + +[Term] +id: NMR:1000370 +name: JNM-ECZS Series FT NMR instrument +is_a: NMR:1400226 ! JEOL NMR instrument +property_value: skos:definition "The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer.\nCoupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class.\nWhatever your application field ECZS can demonstrate its power.\n400 MHz" xsd:string + +[Term] +id: NMR:1000371 +name: AVANCE III HD +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000372 +name: NanoBay400 MHz +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000373 +name: Fourier 300HD +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000374 +name: DNP-NMR +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000376 +name: LC-NMR instrument +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000377 +name: LC-NMR/MS instrument +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000378 +name: Food-Screener instrument +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000379 +name: AVANCE IVDr +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000380 +name: JEOL Resonance 400MHz YH magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000381 +name: JEOL Resonance 500MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000382 +name: JEOL Resonance 600MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000383 +name: JEOL Resonance 700MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000384 +name: JEOL Resonance 800MHz magnet +is_a: NMR:1000272 ! JEOL magnet + +[Term] +id: NMR:1000385 +name: single peak feature +is_a: NMR:1000231 ! peak feature + +[Term] +id: NMR:1000386 +name: NMR instrument vendor +is_a: NMR:1000496 ! instrument attribute +property_value: skos:definition "Any organisation ort person that sells NMR instruments to customers." xsd:string + +[Term] +id: NMR:1000387 +name: Avance I spectrometer +is_a: NMR:1400198 ! Bruker NMR instrument + +[Term] +id: NMR:1000394 +name: Varian Inova 500 +is_a: NMR:1400236 ! Varian INOVA + +[Term] +id: NMR:1000395 +name: Varian VNMRS instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000396 +name: Varian Mercury plus +is_a: NMR:1400235 ! Varian MERCURY + +[Term] +id: NMR:1000397 +name: Varian UnityInova instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000398 +name: Varian 400-MR NMR instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000399 +name: Varian DDR2 instrument +is_a: NMR:1400234 ! Varian NMR instrument + +[Term] +id: NMR:1000400 +name: Agilent NMR instrument +is_a: NMR:1400059 ! NMR instrument + +[Term] +id: NMR:1000401 +name: Agilent 400-MR NMR instrument +is_a: NMR:1000400 ! Agilent NMR instrument + +[Term] +id: NMR:1000402 +name: Varian Mercury 400 +is_a: NMR:1400235 ! Varian MERCURY + +[Term] +id: NMR:1000403 +name: Agilent Au 400 (DDR2 Console) +is_a: NMR:1000400 ! Agilent NMR instrument + +[Term] +id: NMR:1000404 +name: Agilent DDR 2 w/ HCN cryoprobe +is_a: NMR:1000400 ! Agilent NMR instrument + +[Term] +id: NMR:1000405 +name: BMRB identifier +is_a: NMR:1000022 ! metabolomics database identifier + +[Term] +id: NMR:1000406 +name: left trapezoid limit +comment: 02x4bytes=> 2 integers) for the FID datatype." xsd:string + +[Term] +id: NMR:1000409 +name: complex128 Integer +is_a: NMR:1000336 ! byte format +property_value: skos:definition "This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype." xsd:string + +[Term] +id: NMR:1000410 +name: right trapezoid limit +comment: 0 growth" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -holds_over_chain: RO:0002215 RO:0002211 -is_a: RO:0002500 ! causal agent in process +id: RO:0002350 +name: member of +def: "is member of is a mereological relation between a item and a collection." [] +property_value: IAO:0000112 "An organism that is a member of a population of organisms" xsd:string +property_value: IAO:0000118 "is member of" xsd:string +property_value: IAO:0000118 "member part of" xsd:string +property_value: IAO:0000119 "SIO" xsd:string +property_value: RO:0001900 RO:0001901 +is_a: BFO:0000050 ! part of +inverse_of: RO:0002351 ! has member [Typedef] -id: RO:0002597 -name: capable of negatively regulating -def: "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p." [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -holds_over_chain: RO:0002215 RO:0002212 -is_a: RO:0002596 ! capable of regulating +id: RO:0002351 +name: has member +def: "has member is a mereological relation between a collection and an item." [] +property_value: IAO:0000119 "SIO" xsd:string +property_value: RO:0001900 RO:0001901 +is_a: has_part ! has part [Typedef] -id: RO:0002598 -name: capable of positively regulating -def: "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p." [] -property_value: IAO:0000112 "renin -> arteriolar smooth muscle contraction" xsd:string -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -holds_over_chain: RO:0002215 RO:0002213 -is_a: RO:0002596 ! capable of regulating +id: RO:0002502 +name: depends on +property_value: IAO:0000117 https://orcid.org/0000-0002-6601-2165 +property_value: seeAlso BFO:0000169 [Typedef] -id: RO:0002608 -name: process has causal agent -def: "Inverse of 'causal agent in process'" [] -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -is_a: RO:0002410 ! causally related to +id: RO:0010001 +name: generically depends on +def: "A generically dependent continuant *b* generically depends on an independent continuant *c* at time *t* means: there inheres in *c* a specifically deendent continuant which concretizes *b* at *t*." [] +synonym: "g-depends on" EXACT [] +property_value: IAO:0000112 "Genetic information generically depend on molecules of DNA." xsd:string +property_value: IAO:0000112 "The novel *War and Peace* generically depends on this copy of the novel." xsd:string +property_value: IAO:0000112 "The pattern shared by chess boards generically depends on any chess board." xsd:string +property_value: IAO:0000112 "The score of a symphony g-depends on a copy of the score." xsd:string +property_value: IAO:0000112 "This pdf file generically depends on this server." xsd:string +property_value: IAO:0000119 "[072-ISO]" xsd:string +domain: BFO:0000031 ! generically dependent continuant +range: BFO:0000004 ! independent continuant +holds_over_chain: RO:0000052 RO:0000058 +inverse_of: RO:0010002 ! is carrier of [Typedef] -id: RO:0002629 -name: directly positively regulates -def: "p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q." [] -subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension -subset: http://purl.obolibrary.org/obo/valid_for_go_ontology -subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly positively regulates (process to process)" xsd:string -property_value: RO:0004049 RO:0002578 -property_value: seeAlso "https://wiki.geneontology.org/Directly_positively_regulates" xsd:anyURI -is_a: RO:0002213 ! positively regulates -is_a: RO:0002578 ! directly regulates +id: RO:0010002 +name: is carrier of +def: "*b* is carrier of *c* at time *t* if and only if *c* *g-depends on* *b* at *t*" [] +property_value: IAO:0000112 "Molecules of DNA are carriers of genetic information." xsd:string +property_value: IAO:0000112 "This copy of *War and Peace* is carrier of the novel written by Tolstoy." xsd:string +property_value: IAO:0000112 "This hard drive is carrier of these data items." xsd:string +property_value: IAO:0000119 "[072-ISO]" xsd:string +domain: BFO:0000004 ! independent continuant +range: BFO:0000031 ! generically dependent continuant +holds_over_chain: RO:0000059 RO:0000053 [Typedef] -id: RO:0002630 -name: directly negatively regulates -def: "p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q." [] +id: has_part +name: has part +namespace: chebi_ontology +def: "a core relation that holds between a whole and its part" [] subset: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension subset: http://purl.obolibrary.org/obo/valid_for_go_ontology subset: http://purl.obolibrary.org/obo/valid_for_gocam -property_value: IAO:0000119 http://purl.obolibrary.org/obo/ro/docs/causal-relations -property_value: IAO:0000589 "directly negatively regulates (process to process)" xsd:string -property_value: RO:0004050 RO:0002578 -property_value: seeAlso "https://wiki.geneontology.org/Directly_negatively_regulates" xsd:anyURI -is_a: RO:0002212 ! negatively regulates -is_a: RO:0002578 ! directly regulates - -[Typedef] -id: RO:0004031 -name: enables subfunction -def: "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P." [] -holds_over_chain: RO:0002327 BFO:0000051 -is_a: RO:0002328 ! functionally related to -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-25T23:20:13Z - -[Typedef] -id: RO:0004032 -name: acts upstream of or within, positive effect -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004049 RO:0002264 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0004047 -is_a: RO:0002264 ! acts upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:49:30Z - -[Typedef] -id: RO:0004033 -name: acts upstream of or within, negative effect -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004050 RO:0002264 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0004046 -is_a: RO:0002264 ! acts upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:49:51Z - -[Typedef] -id: RO:0004034 -name: acts upstream of, positive effect -def: "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004049 RO:0002263 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_positive_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0002304 -is_a: RO:0002263 ! acts upstream of -is_a: RO:0004032 ! acts upstream of or within, positive effect -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:53:14Z - -[Typedef] -id: RO:0004035 -name: acts upstream of, negative effect -def: "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative" [] -subset: http://purl.obolibrary.org/obo/valid_for_go_gp2term -property_value: RO:0004050 RO:0002263 -property_value: seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_negative_effect" xsd:anyURI -holds_over_chain: RO:0002327 RO:0002305 -is_a: RO:0002263 ! acts upstream of -is_a: RO:0004033 ! acts upstream of or within, negative effect -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-01-26T23:53:22Z - -[Typedef] -id: RO:0004046 -name: causally upstream of or within, negative effect -property_value: RO:0004050 RO:0002418 -property_value: seeAlso "https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect" xsd:anyURI -is_a: RO:0002418 ! causally upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-03-13T23:55:05Z - -[Typedef] -id: RO:0004047 -name: causally upstream of or within, positive effect -property_value: RO:0004049 RO:0002418 -property_value: seeAlso https://wiki.geneontology.org/Causally_upstream_of_or_within,_positive_effect -is_a: RO:0002418 ! causally upstream of or within -created_by: https://orcid.org/0000-0002-6601-2165 -creation_date: 2018-03-13T23:55:19Z - -[Typedef] -id: RO:0011002 -name: regulates activity of -def: "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B." [] -property_value: IAO:0000117 https://orcid.org/0000-0003-4639-4431 -domain: BFO:0000040 ! material entity -range: BFO:0000040 ! material entity -is_a: RO:0002566 ! causally influences - -[Typedef] -id: RO:0012011 -name: indirectly causally upstream of -def: "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q." [] -is_a: RO:0002411 ! causally upstream of -created_by: https://orcid.org/0000-0003-1813-6857 -creation_date: 2022-09-26T06:07:17Z - -[Typedef] -id: RO:0012012 -name: indirectly regulates -def: "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q." [] -is_a: RO:0002211 ! regulates -is_a: RO:0012011 ! indirectly causally upstream of -created_by: https://orcid.org/0000-0003-1813-6857 -creation_date: 2022-09-26T06:08:01Z - -[Typedef] -id: RO:0017001 -name: device utilizes material -def: "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y." [] -synonym: "utilizes" BROAD [] -property_value: IAO:0000112 "A diagnostic testing device utilizes a specimen." xsd:string -property_value: IAO:0000117 https://orcid.org/0000-0001-9625-1899 -property_value: IAO:0000117 https://orcid.org/0000-0003-2620-0345 -property_value: IAO:0000232 "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input." xsd:string -property_value: IAO:0000232 "See github ticket https://github.com/oborel/obo-relations/issues/497" xsd:string -holds_over_chain: RO:0002215 RO:0002233 -creation_date: 2021-11-08T12:00:00Z - -[Typedef] -id: RO:0019000 -name: regulates characteristic -def: "A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C." [] -property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 -domain: BFO:0000015 ! process -range: PATO:0000001 -holds_over_chain: RO:0002211 RO:0019000 -is_a: RO:0002410 ! causally related to - -[Typedef] -id: RO:0019001 -name: positively regulates characteristic -def: "A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C." [] -property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 -holds_over_chain: RO:0002213 RO:0019001 -is_a: RO:0019000 ! regulates characteristic +xref: BFO:0000051 +property_value: IAO:0000111 "has part" xsd:string +property_value: IAO:0000112 "my body has part my brain (continuant parthood, two material entities)" xsd:string +property_value: IAO:0000112 "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)" xsd:string +property_value: IAO:0000112 "this year has part this day (occurrent parthood)" xsd:string +property_value: IAO:0000116 "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part." xsd:string +property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string +property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string +property_value: IAO:0000118 "has_part" xsd:string +property_value: RO:0001900 RO:0001901 +is_cyclic: false +is_transitive: true +is_a: RO:0002131 ! overlaps [Typedef] -id: RO:0019002 -name: negatively regulates characteristic -def: "A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C." [] -property_value: http://purl.org/dc/terms/contributor https://orcid.org/0000-0002-8688-6599 -holds_over_chain: RO:0002212 RO:0019001 -holds_over_chain: RO:0002213 RO:0019002 -is_a: RO:0019000 ! regulates characteristic +id: has_role +name: has role +namespace: chebi_ontology +def: "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence" [] +xref: RO:0000087 +property_value: IAO:0000112 "this person has role this investigator role (more colloquially: this person has this role of investigator)" xsd:string +property_value: IAO:0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists." xsd:string +property_value: IAO:0000118 "has_role" xsd:string +domain: BFO:0000004 ! independent continuant +range: BFO:0000023 ! role +is_cyclic: false +is_transitive: false +is_a: RO:0000053 ! has characteristic diff --git a/nmrCV.owl b/nmrCV.owl index fd8d3b4..eb6a2b9 100644 --- a/nmrCV.owl +++ b/nmrCV.owl @@ -1,28 +1,89 @@ - - - + + + Annick Moing + Catherine Deborde + Daniel Jacob + Daniel Schober + Joseph Cruz + Michael Wilson + Philippe Rocca-Serra + Reza Salek + Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen + Steffen Neumann + Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project. This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. nuclear magnetic resonance CV - 2023-11-23 + This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments. + https://github.com/nmrML/nmrML/issues + Daniel Schober + https://github.com/nmrML/nmrML + https://github.com/nmrML/nmrCV + https://groups.google.com/forum/?hl=en#!forum/nmrml/join + https://www.wikidata.org/wiki/Q96678459 + http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo + 2.0_alpha + 2025-02-18 @@ -145,9 +206,30 @@ We don't have definitions of 'meaning' or 'expression' Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. + 2012-04-05: +Barry Smith + +The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. + +Can you fix to something like: + +A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. + +Alan Ruttenberg + +Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. + +On the specifics of the proposed definition: + +We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. + +Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. + +We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> + definition definition @@ -769,97 +851,143 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + A serial number such as "12324X"; a stop sign; a written proper name such as "OBI + An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity. + + + 2024-03-25 + has symbol + + + + - + - - + + If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. + is a defining property chain axiom where second argument is reflexive - + - + - + - + + + - + - - If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL - is a defining property chain axiom + + - + - - If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. - is a defining property chain axiom where second argument is reflexive + + - + - + + + - + - + + + - + - + + + - + - + - + - + - + - - - + - + - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -979,9 +1107,9 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + - + @@ -993,6 +1121,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1015,9 +1149,45 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + @@ -1033,6 +1203,18 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + + + + + + + @@ -1045,12 +1227,24 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + + + + + + + @@ -1066,7 +1260,15 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + disease characteristic (MONDO:0021125) has cross-reference (http://www.geneontology.org/formats/oboInOwl#hasDbXref) "NCIT:C41009"^^xsd:string + An annotation property that links an ontology entity or a statement to a prefixed identifier or URI. + + + 2024-03-18 + database_cross_reference + has cross-reference + @@ -1077,6 +1279,7 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] https://github.com/information-artifact-ontology/ontology-metadata/issues/20 has exact synonym + has_exact_synonym https://github.com/information-artifact-ontology/ontology-metadata/issues/20 @@ -1098,7 +1301,17 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + has_obo_format_version + + + + + + + + has_obo_namespace + @@ -1115,21 +1328,57 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - + + + + + + + - + @@ -1151,9 +1400,33 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - + + + + + + + + + + + + + + + + + + + + + + + + + - + @@ -1252,59 +1525,53 @@ A continuant cannot be part of an occurrent: use 'participates in'. An A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part + BFO:0000051 + chebi_ontology + has_part + false + has_part + has part has part - - - - - - - + - - - - - - - - - - - preceded by - x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. - An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. - is preceded by - preceded_by - http://www.obofoundry.org/ro/#OBO_REL:preceded_by - - preceded by + + + + + realized in + this disease is realized in this disease course + this fragility is realized in this shattering + this investigator role is realized in this investigation + is realized by + realized_in + [copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) + Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process + + realized in - + - - - - - - - - - - precedes - x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. - - precedes + + + + realizes + this disease course realizes this disease + this investigation realizes this investigator role + this shattering realizes this fragility + to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) + Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process + + realizes @@ -1312,6 +1579,7 @@ A continuant cannot have an occurrent as part: use 'participates in'. + This document is about information artifacts and their representations A (currently) primitive relation that relates an information artifact to an entity. @@ -1330,24 +1598,19 @@ Some currently missing phenomena that should be considered "about" are - - - - - - has_specified_input - has_specified_input + + + has specified input see is_input_of example_of_usage - The inverse property of is_specified_input_of + The inverse property of is specified input of 8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works. PERSON: Alan Ruttenberg PERSON: Bjoern Peters PERSON: Larry Hunter PERSON: Melanie Coutot - - has_specified_input + has specified input @@ -1356,13 +1619,14 @@ Some currently missing phenomena that should be considered "about" are - is_specified_input_of + + is specified input of some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of. Alan Ruttenberg PERSON:Bjoern Peters - is_specified_input_of + is specified input of @@ -1370,22 +1634,35 @@ Some currently missing phenomena that should be considered "about" are - - - - - - has_specified_output - has_specified_output + + + has specified output - The inverse property of is_specified_output_of + The inverse property of is specified output of PERSON: Alan Ruttenberg PERSON: Bjoern Peters PERSON: Larry Hunter PERSON: Melanie Courtot - - has_specified_output + has specified output + + + + + + + + + + is_manufactured_by + http://www.affymetrix.com/products/arrays/specific/hgu133.affx is_manufactered_by http://www.affymetrix.com/ (if we decide to use these URIs for the actual entities) + + c is_manufactured_by o means that there was a process p in which c was built in which a person, or set of people or machines did the work(bore the "Manufacturer Role", and those people/and or machines were members or of directed by the organization to do this. + Alan Ruttenberg + Liju Fan + has_make + has_manufacturer + is_manufactured_by @@ -1394,14 +1671,13 @@ Some currently missing phenomena that should be considered "about" are - is_specified_output_of - is_specified_output_of + + is specified output of A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of. Alan Ruttenberg PERSON:Bjoern Peters - - is_specified_output_of + is specified output of @@ -1409,10 +1685,13 @@ Some currently missing phenomena that should be considered "about" are + + + achieves_planned_objective A cell sorting process achieves the objective specification 'material separation objective' - This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process. + This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process. BP, AR, PPPB branch PPPB branch derived modified according to email thread from 1/23/09 in accordince with DT and PPPB branch @@ -1421,6 +1700,21 @@ Some currently missing phenomena that should be considered "about" are + + + + + + objective_achieved_by + + This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process. + OBI + OBI + objective_achieved_by + + + + @@ -1479,6 +1773,11 @@ Some currently missing phenomena that should be considered "about" are + + + + + @@ -1496,9 +1795,30 @@ Some currently missing phenomena that should be considered "about" are + + + + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). + An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). + A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants. + is concretized as + + + + - + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). + An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). + A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. + concretizes + @@ -1519,22 +1839,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - - this red color is a quality of this apple - a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence - A quality inheres in its bearer at all times for which the quality exists. - is quality of - quality_of - This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. - quality of - - - - @@ -1566,20 +1870,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - - this apple has quality this red color - a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence - A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. - has_quality - has quality - - - - @@ -1590,223 +1880,19 @@ Some currently missing phenomena that should be considered "about" are a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has_role + RO:0000087 + chebi_ontology + has_role + false + false + has_role + has role has role - - - - - - - - a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence - has disposition - - - - - - - - - inverse of has disposition - - This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. - disposition of - - - - - - - - - - A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B. - - 2017-05-24T09:30:46Z - has regulatory component activity - - - - - - - - - - A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B. - - 2017-05-24T09:31:01Z - By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. - has negative regulatory component activity - - - - - - - - - - A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B. - - 2017-05-24T09:31:17Z - By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. - has positive regulatory component activity - - - - - - - - - - 2017-05-24T09:44:33Z - A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. - has component activity - - - - - - - - - - - w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. - - 2017-05-24T09:49:21Z - has component process - - - - - - - - - - - 2017-09-17T13:52:24Z - Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. - directly regulated by - - - - - Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. - - - - - - - - - - - Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. - - 2017-09-17T13:52:38Z - directly negatively regulated by - - - - - Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. - - - - - - - - - - - Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. - - 2017-09-17T13:52:47Z - directly positively regulated by - - - - - Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. - - - - - - - - - - - A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. - - 2017-09-22T14:14:36Z - This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. - has effector activity - - - - - A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. - - - - - - - - - - - David Osumi-Sutherland - - X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) - ends after - - - - - - - - - - David Osumi-Sutherland - starts_at_end_of - X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) - immediately preceded by - - - - - - - - - - David Osumi-Sutherland - ends_at_start_of - meets - - - X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) - immediately precedes - - - - - + @@ -1848,250 +1934,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - - w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. - The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity. - For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit. - - - has component - - - - - - - - - - - - - - - - - - - - - - p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q. - - - - - GO - Regulation precludes parthood; the regulatory process may not be within the regulated process. - regulates (processual) - false - - - - regulates - - - - - - - - - - - p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q. - - - negatively regulates (process to process) - - - - - negatively regulates - - - - - - - - - - - - - - - - p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q. - - - positively regulates (process to process) - - - - - positively regulates - - - - - - - - - - - mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974) - osteoclast SubClassOf 'capable of' some 'bone resorption' - A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. - - has function realized in - - - For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)". - - capable of - - - - - - - - - - - - - - c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p. - - has function in - capable of part of - - - - - - - - - - true - - - - - - - - - - - - - Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends. - https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 - - A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. - temporally related to - - - - - - - - - - - - p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p. - - consumes - - - - - has input - https://wiki.geneontology.org/Has_input - - - - - - - - - - - - - A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision. - c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes. - - acts upstream of - - - - - - - - - - - - - - A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway. - c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process. - affects - - acts upstream of or within - https://wiki.geneontology.org/Acts_upstream_of_or_within - - - - - - - - - - p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q. - - - - - holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y - causally upstream of, positive effect - - - - - - - - - - - p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q. - - - - - causally upstream of, negative effect - - - - - @@ -2137,8050 +1979,29481 @@ Some currently missing phenomena that should be considered "about" are - + - - - - - - - - - - - - a particular instances of akt-2 enables some instance of protein kinase activity - c enables p iff c is capable of p and c acts to execute p. - - catalyzes - executes - has - is catalyzing - is executing - This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized. - - enables - https://wiki.geneontology.org/Enables + + + + An organism that is a member of a population of organisms + is member of is a mereological relation between a item and a collection. + is member of + member part of + SIO + + member of - + - - A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities. - - This is a grouping relation that collects relations used for the purpose of connecting structure and function - functionally related to + + + has member is a mereological relation between a collection and an item. + SIO + + has member - + - - - - - - - this relation holds between c and p when c is part of some c', and c' is capable of p. + - false - part of structure that is capable of + depends on + - - - - - - - - true - - + - - - - - - - + + + + - - + + - c involved_in p if and only if c enables some process p', and p' is part of p - - actively involved in - enables part of - involved in - https://wiki.geneontology.org/Involved_in + Genetic information generically depend on molecules of DNA. + The novel *War and Peace* generically depends on this copy of the novel. + The pattern shared by chess boards generically depends on any chess board. + The score of a symphony g-depends on a copy of the score. + This pdf file generically depends on this server. + A generically dependent continuant *b* generically depends on an independent continuant *c* at time *t* means: there inheres in *c* a specifically deendent continuant which concretizes *b* at *t*. + [072-ISO] + g-depends on + generically depends on - + - - - - inverse of enables - - - enabled by - https://wiki.geneontology.org/Enabled_by + + + + + + + + Molecules of DNA are carriers of genetic information. + This copy of *War and Peace* is carrier of the novel written by Tolstoy. + This hard drive is carrier of these data items. + *b* is carrier of *c* at time *t* if and only if *c* *g-depends on* *b* at *t* + [072-ISO] + is carrier of - + - - - - - - inverse of regulates - - regulated by (processual) - - regulated by - - + - - - inverse of negatively regulates - - - negatively regulated by - - + + + + + + + + + + + + + + + + + + + + A molecular entity that has a characterized compound role in nuclear magnetic resonance (NMR) spectroscopy. + + + 2024-08-21T15:06:17Z + characterized compound + + - + - - - inverse of positively regulates - - - positively regulated by - + + + A role which inheres in a molecular entity being characterized in an NMR sample using data acquired from an NMR analysis. + + + 2024-08-21T15:10:29Z + NMR characterized compound role + - + - + + + + + + + + + + + + + + + + + + + + A calibration compound that has a chemical shift calibration compound role in nuclear magnetic resonance (NMR) spectroscopy. + + + 2024-08-22T14:49:21Z + chemical shift calibration compound + - + - - - - inverse of has input - - - - input of - + + + A role which inheres in a molecular entity that produces one or more peaks used to calibrate the NMR spectrometer and/or the spectrum. + + + 2024-08-22T15:10:11Z + NMR calibration compound role + + + + + + Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds. + + - + - - - - - - inverse of upstream of - - causally downstream of - + + + A role which inheres in a calibration compound that produces one or more peaks used for chemical shift calibration. + + + 2024-08-22T15:12:21Z + NMR chemical shift calibration compound role + + + + + + Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds. + + - + - - - - - - - immediately causally downstream of - + + + A role which inheres in a calibration compound of a known concentration that produces one or more peaks used to calibrate a spectrum for quantification. + + + 2024-08-22T15:15:36Z + NMR concentration calibration compound role + - + - - - - - - - - - - - - - - - - - - - - - p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q. - - indirectly activates - - indirectly positively regulates - https://wiki.geneontology.org/Indirectly_positively_regulates - + + + A chemical shift reference compound used for 3H spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. + 3H spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 3H spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - - - - - - - p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q. - - indirectly inhibits - - indirectly negatively regulates - https://wiki.geneontology.org/Indirectly_negatively_regulates - + + + A chemical shift reference compound used for 3He spectra according to IUPAC recommendations. + + + 2024-08-22T18:14:29Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3He spectra. The children of this class were manually asserted. + 3He spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 3He spectra according to IUPAC recommendations. + + + - + - - relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. - This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. + + + A chemical shift reference compound used for 19F spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 19F spectra. The children of this class were manually asserted. + 19F spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 19F spectra according to IUPAC recommendations. + + + + -To define causal relations in an activity-flow type network, we make use of 3 primitives: - * Temporal: how do the intervals of the two occurrents relate? - * Is the causal relation regulatory? - * Is the influence positive or negative? + -The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. + + + A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 29Si spectra. The children of this class were manually asserted. + 29Si spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations. + + + + -For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. -For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. + -Each of these 3 primitives can be composed to yield a cross-product of different relation types. - - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - causally related to - + + + A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 57Fe spectra. The children of this class were manually asserted. + 57Fe spectrum chemical shift reference compound + - + - relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. - https://en.wikipedia.org/wiki/Causality + A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations. + + - + - - - - - p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q. - - - - causally upstream of - + + + A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 77Se spectra. The children of this class were manually asserted. + 77Se spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations. + + + - + - - - - p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q. - - - immediately causally upstream of - + + + A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 89Y spectra. The children of this class were manually asserted. + 89Y spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations. + + + - + - - - - - p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q. - We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2 - - influences (processual) - affects - causally upstream of or within - + + + A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 103Rh spectra. The children of this class were manually asserted. + 103Rh spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations. + + + - + - - - - inverse of causally upstream of or within - - - - causally downstream of or within - + + + A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 107Ag spectra. The children of this class were manually asserted. + 107Ag spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - - c involved in regulation of p if c is involved in some p' and p' regulates some p - - involved in regulation of - + + + A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 109Ag spectra. The children of this class were manually asserted. + 109Ag spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - c involved in regulation of p if c is involved in some p' and p' positively regulates some p - - - involved in positive regulation of - + + + A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 111Cd spectra. The children of this class were manually asserted. + 111Cd spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - - c involved in regulation of p if c is involved in some p' and p' negatively regulates some p - - - involved in negative regulation of - + + + A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113Cd spectra. The children of this class were manually asserted. + 113Cd spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations. + + + - + - - - - - c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p - OWL does not allow defining object properties via a Union - - involved in or reguates - involved in or involved in regulation of - + + + A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115Sn spectra. The children of this class were manually asserted. + 115Sn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations. + + + - + - - - - - A relationship that holds between two entities in which the processes executed by the two entities are causally connected. - This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact. - Considering relabeling as 'pairwise interacts with' - - Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules. - in pairwise interaction with - - interacts with - http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ - http://purl.obolibrary.org/obo/MI_0914 - + + + A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 117Sn spectra. The children of this class were manually asserted. + 117Sn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations. + + + - + - - - - An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other. - - binds - molecularly binds with - molecularly interacts with - - http://purl.obolibrary.org/obo/MI_0915 - + + + A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 119Sn spectra. The children of this class were manually asserted. + 119Sn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations. + + + - + - - - Axiomatization to GO to be added later - - An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y. - phosphorylates - + + + A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Te spectra. The children of this class were manually asserted. + 123Te spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations. + + + - - - - - - - - - - - - - The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. + -A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B. - - - molecularly controls - directly regulates activity of - + + + A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 125Te spectra. The children of this class were manually asserted. + 125Te spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B. - - - directly inhibits - molecularly decreases activity of - directly negatively regulates activity of - + + + A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 129Xe spectra. The children of this class were manually asserted. + 129Xe spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations. + + + - + - - - - - - - - - - The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B. - - - directly activates - molecularly increases activity of - directly positively regulates activity of - + + + A chemical shift reference compound used for 183W spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 183W spectra. The children of this class were manually asserted. + 183W spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 183W spectra according to IUPAC recommendations. + + + - + - - - This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning. - helper property (not for use in curation) - + + + A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Os spectra. The children of this class were manually asserted. + 187Os spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations. + + + - + - - - - is kinase activity - + + + A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 195Pt spectra. The children of this class were manually asserted. + 195Pt spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations. + + + - + - - - - A relationship between a material entity and a process where the material entity has some causal role that influences the process - - causal agent in process - + + + A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 199Hg spectra. The children of this class were manually asserted. + 199Hg spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations. + + + - + - - - - - p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q. - - - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - causal relation between processes - + + + A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 203Ti spectra. The children of this class were manually asserted. + 203Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations. + + + - + - - - depends on - - + + + A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 205Ti spectra. The children of this class were manually asserted. + 205Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations. + + + - + - - - - - The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch - - - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - causal relation between entities - + + + A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 207Pb spectra. The children of this class were manually asserted. + 207Pb spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations. + + + - + - - - - - - causally influenced by (entity-centric) - causally influenced by - + + + A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 59Co spectra. The children of this class were manually asserted. + 59Co spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations. + + - + - - - - interaction relation helper property - - http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ - + + + A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 55Mn spectra. The children of this class were manually asserted. + 55Mn spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations. + + - + - - - - molecular interaction relation helper property - + + + A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 53Cr spectra. The children of this class were manually asserted. + 53Cr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations. + + - + - - - - - - - - - - - - - - - The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size). - - - - causally influences (entity-centric) - causally influences - + + + A chemical shift reference compound used for 51V spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 51V spectra. The children of this class were manually asserted. + 51V spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 51V spectra according to IUPAC recommendations. + + - + - - - - p directly regulates q iff p is immediately causally upstream of q and p regulates q. - - - directly regulates (processual) - - - - - directly regulates - + + + A chemical shift reference compound used for 50V spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 50V spectra. The children of this class were manually asserted. + 50V spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 50V spectra according to IUPAC recommendations. + + - + - - - - - - - - gland SubClassOf 'has part structure that is capable of' some 'secretion by cell' - s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p - - has part structure that is capable of - + + + A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 49Ti spectra. The children of this class were manually asserted. + 49Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations. + + - + - - - - - A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity. - Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. - - - causal relation between material entity and a process - + + + A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 47Ti spectra. The children of this class were manually asserted. + 47Ti spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations. + + - + - - - - - - - pyrethroid -> growth - Holds between c and p if and only if c is capable of some activity a, and a regulates p. - - capable of regulating - + + + A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 45Sc spectra. The children of this class were manually asserted. + 45Sc spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations. + + - + - - - - - - - Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p. - - capable of negatively regulating - + + + A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 43Ca spectra. The children of this class were manually asserted. + 43Ca spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations. + + - + - - - - - - - renin -> arteriolar smooth muscle contraction - Holds between c and p if and only if c is capable of some activity a, and a positively regulates p. - - capable of positively regulating - + + + A chemical shift reference compound used for 41K spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 41K spectra. The children of this class were manually asserted. + 41K spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 41K spectra according to IUPAC recommendations. + + - + - - - Inverse of 'causal agent in process' - - process has causal agent - + + + A chemical shift reference compound used for 40K spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 40K spectra. The children of this class were manually asserted. + 40K spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 40K spectra according to IUPAC recommendations. + + - + - - - - p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q. - - directly positively regulates (process to process) - - - - - directly positively regulates - https://wiki.geneontology.org/Directly_positively_regulates - + + + A chemical shift reference compound used for 39K spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 39K spectra. The children of this class were manually asserted. + 39K spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 39K spectra according to IUPAC recommendations. + + - + - - - - p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q. - - directly negatively regulates (process to process) - - - - - directly negatively regulates - https://wiki.geneontology.org/Directly_negatively_regulates - + + + A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 37Cl spectra. The children of this class were manually asserted. + 37Cl spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations. + + - + - - - - - - - Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P. - - 2018-01-25T23:20:13Z - enables subfunction - + + + A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 35Cl spectra. The children of this class were manually asserted. + 35Cl spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations. + + - + - - - - - - - - - 2018-01-26T23:49:30Z - - acts upstream of or within, positive effect - https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect - + + + A chemical shift reference compound used for 33S spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 33S spectra. The children of this class were manually asserted. + 33S spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 33S spectra according to IUPAC recommendations. + + - + - - - - - - - - - 2018-01-26T23:49:51Z - - acts upstream of or within, negative effect - https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect - + + + A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 27Al spectra. The children of this class were manually asserted. + 27Al spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations. + + - + - - - - - - - - c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive - - - 2018-01-26T23:53:14Z - - acts upstream of, positive effect - https://wiki.geneontology.org/Acts_upstream_of,_positive_effect - + + + A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 25Mg spectra. The children of this class were manually asserted. + 25Mg spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations. + + - + - - - - - - - - c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative - - - 2018-01-26T23:53:22Z - - acts upstream of, negative effect - https://wiki.geneontology.org/Acts_upstream_of,_negative_effect - + + + A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 23Na spectra. The children of this class were manually asserted. + 23Na spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations. + + - + - - - - - 2018-03-13T23:55:05Z - causally upstream of or within, negative effect - https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect - + + + A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted. + 21Ne spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations. + + - + - - - - - 2018-03-13T23:55:19Z - causally upstream of or within, positive effect - - + + + A chemical shift reference compound used for 17O spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 17O spectra. The children of this class were manually asserted. + 17O spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 17O spectra according to IUPAC recommendations. + + - + - - - - - The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B. - - regulates activity of - + + + A chemical shift reference compound used for 14N spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 14N spectra. The children of this class were manually asserted. + 14N spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 14N spectra according to IUPAC recommendations. + + - + - - - p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q. - - 2022-09-26T06:07:17Z - indirectly causally upstream of - + + + A chemical shift reference compound used for 11B spectra according to IUPAC recommendations. + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 11B spectra. The children of this class were manually asserted. + 11B spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 11B spectra according to IUPAC recommendations. + + - + - - - - p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q. - - 2022-09-26T06:08:01Z - indirectly regulates - + + + A chemical shift reference compound used for 10B spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 10B spectra. The children of this class were manually asserted. + 10B spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 10B spectra according to IUPAC recommendations. + + - + - - - - - - A diagnostic testing device utilizes a specimen. - X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y. - - - A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input. - See github ticket https://github.com/oborel/obo-relations/issues/497 - 2021-11-08T12:00:00Z - utilizes - device utilizes material - + + + A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted. + 9Be spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations. + + - + - - - - - - - - - A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C. - - regulates characteristic - + + + A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations. + + + 2024-08-26T16:16:31Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 7Li spectra. The children of this class were manually asserted. + 7Li spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations. + + - + - - - - - - - A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C. - - positively regulates characteristic - + + + A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 6Li spectra. The children of this class were manually asserted. + 6Li spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations. + + - + - - - - - - - - - - - A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C. - - negatively regulates characteristic - + + + A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 61Ni spectra. The children of this class were manually asserted. + 61Ni spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations. + + - + + + + A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 63Cu spectra. The children of this class were manually asserted. + 63Cu spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations. + + - + - + + + A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 65Cu spectra. The children of this class were manually asserted. + 65Cu spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations. + + - + - - - entity - Entity - Julius Caesar - Verdi’s Requiem - the Second World War - your body mass index - BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 - Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf - An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) - - entity + + + A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 67Zn spectra. The children of this class were manually asserted. + 67Zn spectrum chemical shift reference compound - - - Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf - - per discussion with Barry Smith - + + + A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 69Ga spectra. The children of this class were manually asserted. + 69Ga spectrum chemical shift reference compound + - - - An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) - + + + A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations. + - + - - - - - - - - - - - - - - - - continuant - Continuant - An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. - BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 - Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants - A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) - if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) - if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) - if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) - (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] - (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] - (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] - (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] - - continuant + + + A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 71Ga spectra. The children of this class were manually asserted. + 71Ga spectrum chemical shift reference compound - - - Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants - - - - - - A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) - - - - - - if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) - - - - - - if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) - + + + A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 73Ge spectra. The children of this class were manually asserted. + 73Ge spectrum chemical shift reference compound + - - - if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) - + + + A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 75As spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 75As spectra. The children of this class were manually asserted. + 75As spectrum chemical shift reference compound + - - - (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] - + + + A chemical shift reference compound used for 75As spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 79Br spectra. The children of this class were manually asserted. + 79Br spectrum chemical shift reference compound + - - - (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] - + + + A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 81Br spectra. The children of this class were manually asserted. + 81Br spectrum chemical shift reference compound + - - - (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] - + + + A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 83Kr spectra. The children of this class were manually asserted. + 83Kr spectrum chemical shift reference compound + - - - (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] - + + + A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations. + - + - - - - - - - - - - - - - - - occurrent - Occurrent - An entity that has temporal parts and that happens, unfolds or develops through time. - BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region - BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. - Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. - Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. - An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) - Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) - b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) - (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] - (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] - - occurrent + + + A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 85Rb spectra. The children of this class were manually asserted. + 85Rb spectrum chemical shift reference compound - - - Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. - - per discussion with Barry Smith + + + A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Rb spectra. The children of this class were manually asserted. + 87Rb spectrum chemical shift reference compound + - - - Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. - + + + A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 91Zr spectra. The children of this class were manually asserted. + 91Zr spectrum chemical shift reference compound + - - - An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) - + + + A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 93Nb spectra. The children of this class were manually asserted. + 93Nb spectrum chemical shift reference compound + - - - Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) - + + + A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 95Mo spectra. The children of this class were manually asserted. + 95Mo spectrum chemical shift reference compound + - - - b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) - + + + A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 97Mo spectra. The children of this class were manually asserted. + 97Mo spectrum chemical shift reference compound + - - - (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] - + + + A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Tc spectra. The children of this class were manually asserted. + 99Tc spectrum chemical shift reference compound + - - - (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] - + + + A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations. + - + - - - - - - - - - - - ic - IndependentContinuant - a chair - a heart - a leg - a molecule - a spatial region - an atom - an orchestra. - an organism - the bottom right portion of a human torso - the interior of your mouth - b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) - For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) - For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) - (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] - (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] - (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] - A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. - - independent continuant + + + A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Ru spectra. The children of this class were manually asserted. + 99Ru spectrum chemical shift reference compound - + - b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) - + A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 101Ru spectra. The children of this class were manually asserted. + 101Ru spectrum chemical shift reference compound + - - - For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) - + + + A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 105Pd spectra. The children of this class were manually asserted. + 105Pd spectrum chemical shift reference compound + - - - For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) - + + + A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 113In spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113In spectra. The children of this class were manually asserted. + 113In spectrum chemical shift reference compound + - - - (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] - + + + A chemical shift reference compound used for 113In spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 115In spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115In spectra. The children of this class were manually asserted. + 115In spectrum chemical shift reference compound + - - - (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] - + + + A chemical shift reference compound used for 115In spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 121Sb spectra. The children of this class were manually asserted. + 121Sb spectrum chemical shift reference compound + - - - (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] - + + + A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations. + - + - - - - - s-region - SpatialRegion - BFO 2 Reference: Spatial regions do not participate in processes. - Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. - A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) - All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) - (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] - (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] - - spatial region + + + A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Sb spectra. The children of this class were manually asserted. + 123Sb spectrum chemical shift reference compound - - - Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. - - per discussion with Barry Smith + + + A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 127I spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 127I spectra. The children of this class were manually asserted. + 127I spectrum chemical shift reference compound + - - - A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) - + + + A chemical shift reference compound used for 127I spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 131Xe spectra. The children of this class were manually asserted. + 131Xe spectrum chemical shift reference compound + - - - All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) - + + + A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 133Cs spectra. The children of this class were manually asserted. + 133Cs spectrum chemical shift reference compound + - - - (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] - + + + A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 135Ba spectra. The children of this class were manually asserted. + 135Ba spectrum chemical shift reference compound + - - - (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] - + + + A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations. + - + - - - - - - t-region - TemporalRegion - Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional - A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) - All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) - Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) - (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] - (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] - (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] - - temporal region + + + A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 137Ba spectra. The children of this class were manually asserted. + 137Ba spectrum chemical shift reference compound - - - Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional - - per discussion with Barry Smith + + + A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 138La spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 138La spectra. The children of this class were manually asserted. + 138La spectrum chemical shift reference compound + - - - A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) - + + + A chemical shift reference compound used for 138La spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 139La spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 139La spectra. The children of this class were manually asserted. + 139La spectrum chemical shift reference compound + - - - All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) - + + + A chemical shift reference compound used for 139La spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 177Hf spectra. The children of this class were manually asserted. + 177Hf spectrum chemical shift reference compound + - - - Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) - + + + A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 179Hf spectra. The children of this class were manually asserted. + 179Hf spectrum chemical shift reference compound + - - - (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] - + + + A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 181Ta spectra. The children of this class were manually asserted. + 181Ta spectrum chemical shift reference compound + - - - (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] - + + + A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 185Re spectra. The children of this class were manually asserted. + 185Re spectrum chemical shift reference compound + - - - (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] - + + + A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations. + - + - - - - 2d-s-region - TwoDimensionalSpatialRegion - an infinitely thin plane in space. - the surface of a sphere-shaped part of space - A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) - (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] - - two-dimensional spatial region + + + A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Re spectra. The children of this class were manually asserted. + 187Re spectrum chemical shift reference compound - - - A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) - + + + A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 189Os spectra. The children of this class were manually asserted. + 189Os spectrum chemical shift reference compound + - - - (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] - + + + A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations. + - + - - - st-region - SpatiotemporalRegion - the spatiotemporal region occupied by a human life - the spatiotemporal region occupied by a process of cellular meiosis. - the spatiotemporal region occupied by the development of a cancer tumor - A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) - All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) - Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) - Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) - Every spatiotemporal region occupies_spatiotemporal_region itself. - Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) - (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] - (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] - (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] - (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] - (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] - - spatiotemporal region + + + A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 191Ir spectra. The children of this class were manually asserted. + 191Ir spectrum chemical shift reference compound - - - A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) - + + + A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 193Ir spectra. The children of this class were manually asserted. + 193Ir spectrum chemical shift reference compound + - - - All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) - + + + A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 197Au spectra. The children of this class were manually asserted. + 197Au spectrum chemical shift reference compound + - - - Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) - + + + A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 201Hg spectra. The children of this class were manually asserted. + 201Hg spectrum chemical shift reference compound + - - - Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) - + + + A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations. + + + + + + + + + A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations. + + + 2024-08-22T15:59:35Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 209Bi spectra. The children of this class were manually asserted. + 209Bi spectrum chemical shift reference compound + - - - Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) - + + + A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations. + + + + + + + + + For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits). + integer32 + + + + + + + + + A reference number relevant to the sample under study. + value-type:xsd:string + NMR + NMR:1000001 + sample number + - - - (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] - + + + A reference number relevant to the sample under study. + MSI:NMR - - - (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] - - - - - - (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] - - - - - - (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] - - - - - - (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] - + + + value-type:xsd:string + The allowed value-type for this CV term. - + - - - process - Process - a process of cell-division, \ a beating of the heart - a process of meiosis - a process of sleeping - the course of a disease - the flight of a bird - the life of an organism - your process of aging. - p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) - BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) - (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] - An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. - - process + + + For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits). + long64 + + + + + + + + + The chemical phase of a pure sample, or the state of a mixed sample. + NMR + NMR:1000003 + sample state information - + - p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) - - - - - - (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] - + The chemical phase of a pure sample, or the state of a mixed sample. + MSI:NMR - + - - - - disposition - Disposition - an atom of element X has the disposition to decay to an atom of element Y - certain people have a predisposition to colon cancer - children are innately disposed to categorize objects in certain ways. - the cell wall is disposed to filter chemicals in endocytosis and exocytosis - BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. - b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) - If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) - (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] - (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] - - disposition + + + Total mass of sample used. + value-type:xsd:float + NMR + NMR:1000004 + sample mass information - - - b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) - - - - - - If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) - - - - - - (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] - + + + Total mass of sample used. + MSI:NMR - - - (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] - + + + value-type:xsd:float + The allowed value-type for this CV term. - + - - - - - - - - - - realizable - RealizableEntity - the disposition of this piece of metal to conduct electricity. - the disposition of your blood to coagulate - the function of your reproductive organs - the role of being a doctor - the role of this boundary to delineate where Utah and Colorado meet - A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. - To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) - All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) - (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] - (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] - - realizable entity + + + Total volume of solution used. + value-type:xsd:float + NMR + NMR:1000005 + sample volume - - - To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) - - - - - - All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) - - - - - - (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] - + + + Total volume of solution used. + MSI:NMR - - - (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] - + + + value-type:xsd:float + The allowed value-type for this CV term. - + - - - - 0d-s-region - ZeroDimensionalSpatialRegion - A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) - (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] - - zero-dimensional spatial region + + + Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used. + value-type:xsd:float + NMR + NMR:1000006 + sample concentration - - - A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) - + + + Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used. + MSI:NMR - - - (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] - + + + value-type:xsd:float + The allowed value-type for this CV term. - + + + + + One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible +to determine if the frequency is positive or negative. The instrument uses a spectrometer +frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule +produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency +is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency +signals are very easy frequency to detect, transmit, amplify and sample. +The complication with this rotating frame of reference is that a single detector can not distinguish positive and +negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels +separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these +two channels, it is possible to distinguish positive and negative frequencies. This section shows how the +quadrature signal is processed to obtain an NMR spectrum. +The Fourier transform produces a complex number with a real and an imaginary component. The Re function +extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number. + quadrature detection + + - - - - - - - - - quality - Quality - the ambient temperature of this portion of air - the color of a tomato - the length of the circumference of your waist - the mass of this piece of gold. - the shape of your nose - the shape of your nostril - a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) - If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) - (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] - (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] - - quality + + + + + + contact role - - - - a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) - - - - - - If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) - - - - - - (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] - - - - - - (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] - - - + - - - - - - - - - - sdc - SpecificallyDependentContinuant - Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key - of one-sided specifically dependent continuants: the mass of this tomato - of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. - the disposition of this fish to decay - the function of this heart: to pump blood - the mutual dependence of proton donors and acceptors in chemical reactions [79 - the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction - the pink color of a medium rare piece of grilled filet mignon at its center - the role of being a doctor - the shape of this hole. - the smell of this portion of mozzarella - b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) - Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. - (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] - A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. - - specifically dependent continuant + + + data file attribute - - - - b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) - - - - - - Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. - - per discussion with Barry Smith - - - - - (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] - - - + - - - role - Role - John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. - the priest role - the role of a boundary to demarcate two neighboring administrative territories - the role of a building in serving as a military target - the role of a stone in marking a property boundary - the role of subject in a clinical trial - the student role - A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. - BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. - b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) - (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] - - role + + + The concept represented by this class is already present ('NMR instrument') and ontologically more correct. + + + obsolete_NMR instrument type + true - - - - b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) - - - - - - (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] - - - + - - - fiat-object-part - FiatObjectPart - or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 - the FMA:regional parts of an intact human body. - the Western hemisphere of the Earth - the division of the brain into regions - the division of the planet into hemispheres - the dorsal and ventral surfaces of the body - the upper and lower lobes of the left lung - BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions - b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) - (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] - - fiat object part + + + 1D spectrum coordinate system descriptor - - - - b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) - - - - - - (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] - - - + - - - - 1d-s-region - OneDimensionalSpatialRegion - an edge of a cube-shaped portion of space. - A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) - (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] - - one-dimensional spatial region + + + pre-acquisition solvent suppression - - - - A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) - - - - - - (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] - - - + - - - object-aggregate - ObjectAggregate - a collection of cells in a blood biobank. - a swarm of bees is an aggregate of members who are linked together through natural bonds - a symphony orchestra - an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) - defined by fiat: the aggregate of members of an organization - defined through physical attachment: the aggregate of atoms in a lump of granite - defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container - defined via attributive delimitations such as: the patients in this hospital - the aggregate of bearings in a constant velocity axle joint - the aggregate of blood cells in your body - the nitrogen atoms in the atmosphere - the restaurants in Palo Alto - your collection of Meissen ceramic plates. - An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects - BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). - ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. - b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) - (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] - - object aggregate + + + peak processing - - - - An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects - - - - - - An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects - - - - - - ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. - - - - - - b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) - - - - - - (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] - - - + - - - 3d-s-region - ThreeDimensionalSpatialRegion - a cube-shaped region of space - a sphere-shaped region of space, - A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) - (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] - - three-dimensional spatial region + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_Hexafluorobenzene + true - - - - A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) - - - - - - (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] - - - + - - - site - Site - Manhattan Canyon) - a hole in the interior of a portion of cheese - a rabbit hole - an air traffic control region defined in the airspace above an airport - the Grand Canyon - the Piazza San Marco - the cockpit of an aircraft - the hold of a ship - the interior of a kangaroo pouch - the interior of the trunk of your car - the interior of your bedroom - the interior of your office - the interior of your refrigerator - the lumen of your gut - your left nostril (a fiat part – the opening – of your left nasal cavity) - b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) - (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] - - site + + + Deprecated in favor of CHEBI equivalent class. + + + CDCl3 + obsolete_Chloroform-d + true - - - - b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) - - - - - - (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] - - - + - - - object - Object - atom - cell - cells and organisms - engineered artifacts - grain of sand - molecule - organelle - organism - planet - solid portions of matter - star - BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. - BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). - BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 - BFO 2 Reference: an object is a maximal causally unified material entity - BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 - b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) - - object + + + Deprecated in favor of CHEBI equivalent class. + + + CHEBI:41981 + D2O + obsolete_heavy water + true - - - - b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) - - - + - - - gdc - GenericallyDependentContinuant - The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. - the pdf file on your laptop, the pdf file that is a copy thereof on my laptop - the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. - b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) - (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] - - generically dependent continuant + + + sample pH - - - - b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) - - - - - - (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] - - - + - - - function - Function - the function of a hammer to drive in nails - the function of a heart pacemaker to regulate the beating of a heart through electricity - the function of amylase in saliva to break down starch into sugar - BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. - A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) - (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] - - function + + + post buffer pH - - - - A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) - - - - - - (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] - - - + - - - p-boundary - ProcessBoundary - the boundary between the 2nd and 3rd year of your life. - p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) - Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) - (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] - (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] - - process boundary + + + Philippe Rocca-Serra + http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf + apodization + Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. +Apodization is usually performed by applying a window function to the FID + + + + + + + + + http://www.metabolomicssociety.org/databases + PRS: rename 'reference' to 'identifier' + metabolomics database identifier + + + + + + + + + Metabolights identifier + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_acetonitrile + true + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_1,4-Dioxane + true + + + + + + + + + A chemical shift reference compound used for 1H spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 1H spectra. The children of this class were manually asserted. + 1H spectrum chemical shift reference compound - + - p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) - - - - - - Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) - - - - - - (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] - - - - - - (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] - + A chemical shift reference compound used for 1H spectra according to IUPAC recommendations. + + - + - - - - 1d-t-region - OneDimensionalTemporalRegion - the temporal region during which a process occurs. - BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). - A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) - (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] - - one-dimensional temporal region + + + Deprecated in favor of CHEBI equivalent class. + + + DSS + obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate + true - - - - A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) - - - - - - (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] - - - + - - - - material - MaterialEntity - a flame - a forest fire - a human being - a hurricane - a photon - a puff of smoke - a sea wave - a tornado - an aggregate of human beings. - an energy wave - an epidemic - the undetached arm of a human being - An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. - BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 - BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. - BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. - A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) - Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) - every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) - (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] - - material entity + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_sodium acetate + true + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + TMS + obsolete_tetramethylsilane + true + + + + + + + + + A chemical shift reference compound used for 13C spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 13C spectra. The children of this class were manually asserted. + 13C spectrum chemical shift reference compound - - - A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) - - - - - - Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) - - - - - - every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) - - - - - - (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] - - - - - - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] - - - - - - (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] - + + + A chemical shift reference compound used for 13C spectra according to IUPAC recommendations. + + - + - - - cf-boundary - ContinuantFiatBoundary - b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) - BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions. - BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29 - Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. - Every continuant fiat boundary is located at some spatial region at every time at which it exists - (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] - - continuant fiat boundary + + + Instrument model name not including the vendor's name. + NMR + NMR:1000031 + NMR instrument model - + - b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) - + Instrument model name not including the vendor's name. + MSI:NMR + + + + + + + + Free text description of a single customization made to the instrument; for several modifications, use several entries. + value-type:xsd:string + NMR + NMR:1000032 + instrument customization + - - - Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. - + + + Free text description of a single customization made to the instrument; for several modifications, use several entries. + MSI:NMR - - - (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] - + + + value-type:xsd:string + The allowed value-type for this CV term. - + - - - immaterial - ImmaterialEntity - BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 - - immaterial entity + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_Chloroform-d1 + true - + - - - - - 1d-cf-boundary - OneDimensionalContinuantFiatBoundary - The Equator - all geopolitical boundaries - all lines of latitude and longitude - the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin. - the median sulcus of your tongue - a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) - (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] - - one-dimensional continuant fiat boundary + + + keyword + + + + + + + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_tetramethylammonium bromide + true + + + + + + + + + A chemical shift reference compound used for 15N spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 15N spectra. The children of this class were manually asserted. + 15N spectrum chemical shift reference compound - - - a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) - - - - - - (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] - + + + A chemical shift reference compound used for 15N spectra according to IUPAC recommendations. + + - + - - - - process-profile - ProcessProfile - On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels - One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance. - The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on. - b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) - b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) - (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] - (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] - - process profile + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_ammonia (liquid) + true - - - - b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) - - - - - - b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) - - - - - - (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] - - - - - - (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] - - - + - - - r-quality - RelationalQuality - John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. - a marriage bond, an instance of requited love, an obligation between one person and another. - b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) - (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] - - relational quality + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_ammonium bromide + true - - - - b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) - - - - - - (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] - - - + - - - 2d-cf-boundary - TwoDimensionalContinuantFiatBoundary - a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) - (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] - - two-dimensional continuant fiat boundary + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_1,4-morpholine + true - - - - a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) - - - - - - (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] - - - + - - - 0d-cf-boundary - ZeroDimensionalContinuantFiatBoundary - the geographic North Pole - the point of origin of some spatial coordinate system. - the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet - zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. - a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) - (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] - - zero-dimensional continuant fiat boundary + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_nitromethane + true - - - - zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. - - requested by Melanie Courtot - - - - - - a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) - - - - - - (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] - - - + - - - 0d-t-region - ZeroDimensionalTemporalRegion - a temporal region that is occupied by a process boundary - right now - the moment at which a child is born - the moment at which a finger is detached in an industrial accident - the moment of death. - temporal instant. - A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) - (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] - - zero-dimensional temporal region + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_pyridine + true - - - - A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) - - - - - - (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] - - - + - - - history - History - A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) - - history + + + Deprecated in favor of CHEBI equivalent class. + + + obsolete_sodium nitrate + true - - - - A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) - - - + - + + + solvent filtering + post-acquisition solvent suppression + - + - + + + Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds. + http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling + decoupling method + - + - - - - - true - - + + + homonuclear decoupling - + - + + + heteronuclear decoupling + - + - + + + State if the sample is in emulsion form. + NMR + NMR:1000047 + emulsion + + + + + State if the sample is in emulsion form. + MSI:NMR + - + - + + + State if the sample is in gaseous form. + NMR + NMR:1000048 + gas + + + + + State if the sample is in gaseous form. + MSI:NMR + - + - - - data item - Data items include counts of things, analyte concentrations, and statistical summaries. - - An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements. - 2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers. - 2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum. - 2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym. - 2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/ - JAR: datum -- well, this will be very tricky to define, but maybe some -information-like stuff that might be put into a computer and that is -meant, by someone, to denote and/or to be interpreted by some -process... I would include lists, tables, sentences... I think I might -defer to Barry, or to Brian Cantwell Smith + + + State if the sample is in liquid form. + NMR + NMR:1000049 + liquid + + + + + State if the sample is in liquid form. + MSI:NMR + + -JAR: A data item is an approximately justified approximately true approximate belief - PERSON: Alan Ruttenberg - PERSON: Chris Stoeckert - PERSON: Jonathan Rees - data - data item + + + + + + State if the sample is in solid form. + NMR + NMR:1000050 + solid + + + + State if the sample is in solid form. + MSI:NMR + - + - - - - - - - - - information content entity - Examples of information content entites include journal articles, data, graphical layouts, and graphs. - - A generically dependent continuant that is about some thing. - 2014-03-10: The use of "thing" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ). - information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). + + + State if the sample is in solution form. + NMR + NMR:1000051 + solution + + + + + State if the sample is in solution form. + MSI:NMR + + -Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity. - PERSON: Chris Stoeckert - OBI_0000142 - information content entity + + + + + + State if the sample is in suspension form. + NMR + NMR:1000052 + suspension + + + + State if the sample is in suspension form. + MSI:NMR + - + - + + + Sample batch lot identifier. + value-type:xsd:string + NMR + NMR:1000053 + sample batch information + + + + + Sample batch lot identifier. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + - + - + + + broad band decoupling + - + - + + + off resonance decoupling + - + - - - - - - - - - - - - - - - - - - curation status specification - - The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. - Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting) - PERSON:Bill Bug - GROUP:OBI:<http://purl.obolibrary.org/obo/obi> - OBI_0000266 - curation status specification + + + band-selective decoupling + narowband decoupling + specific decoupling - + - + + + angle of sinusoid + - + - + + + A chemical shift reference compound used for 31P spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 31P spectra. The children of this class were manually asserted. + 31P spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 31P spectra according to IUPAC recommendations. + + + - + - + + + Deprecated in favor of CHEBI equivalent class. + + + H3PO4 + obsolete_phosphoric acid + true + - + - - - data about an ontology part - Data about an ontology part is a data item about a part of an ontology, for example a term - Person:Alan Ruttenberg - data about an ontology part + + + Deprecated in favor of CHEBI equivalent class. + + + P4 + obsolete_phosphorus + true - + - + + + Deprecated in favor of CHEBI equivalent class. + + + (CH3O)3PO + obsolete_trimethyl phosphate + true + - + - + + + Deprecated in favor of CHEBI equivalent class. + + + P(C6H5)3 + obsolete_triphenylphosphine + true + - + - + + + Deprecated in favor of CHEBI equivalent class. + + + O=P(C6H5)3 + obsolete_triphenylphosphine oxide + true + - + - + + + co-dissolved internal reference + - + - + + + synthetic reference signal + - + - - - - - - - - - - - - - - - obsolescence reason specification - - The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. - The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology. - PERSON: Alan Ruttenberg - PERSON: Melanie Courtot - obsolescence reason specification + + + residual solvent signal - + - + + + FID zero filling + - + - - - - - - - - - - - - denotator type - The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are "natural kinds" and the latter arbitrary collections of entities. - A denotator type indicates how a term should be interpreted from an ontological perspective. - Alan Ruttenberg - Barry Smith, Werner Ceusters - denotator type + + + data extrapolation using linear prediction - + - - - ontology module - I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it. - ontology file - This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology. - ontology module + + + multiplying FID by window function - + - - - base ontology module - An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies. - base ontology module - + + + FID fourier transformation + The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems. - + - - - editors ontology module - An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users. - source ontology module - editors ontology module + + + phasing + spectral phasing + phase correction - + - - - main release ontology module - An ontology module that is intended to be the primary release product and the one consumed by the majority of tools. - TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module - main release ontology module + + + peak integration - + - - - bridge ontology module - An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module. - bridge ontology module - + + + peak alignment - + - - - import ontology module - A subset ontology module that is intended to be imported from another ontology. - TODO: add axioms that indicate this is the output of a module extraction process. - import file - import ontology module - + + + peak shape fitting - + - - - subset ontology module - An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms. - ontology slim - subset ontology - subset ontology module - - + + + spectral referencing - + - - - curation subset ontology module - A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation. - curation subset ontology module + + + Deprecated in favor of CHEBI equivalent class. + + + Pohl, L.; Eckle, M. (1969). "Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811 + TMSP + trimethylsilyl propanoic acid + obsolete_sodium trimethylsilyl-propionate + true - + - - - analysis ontology module - An ontology module that is intended for usage in analysis or discovery applications. - analysis subset ontology module + + + used to be 'linear scaling algorithm' + linear scaling - + - - - single layer ontology module - A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint. - ribbon subset - single layer subset ontology module + + + used to be called 'scaling algorithm' + scaling - + - - - exclusion subset ontology module - A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes. - antislim - exclusion subset ontology module + + + used to be postfixed with algorithm + non-linear scaling - + - - - external import ontology module - An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach. - external import - external import ontology module + + + total spectral area scaling - + - - - species subset ontology module - A subset ontology that is crafted to either include or exclude a taxonomic grouping of species. - taxon subset - species subset ontology module - + + + Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90. + probabilistic quotient normalization - + - - - reasoned ontology module - An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available. - reasoned ontology module - + + + glog scaling + scaling by generalized logarithmic transformation - + - - - generated ontology module - An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV. - TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process - generated ontology module + + + pareto scaling - + - - - template generated ontology module - An ontology module that is automatically generated from a template specification and fillers for slots in that template. - template generated ontology module - - - + + + autoscaling - + - - - taxonomic bridge ontology module - taxonomic bridge ontology module + + + JRES spectrum + 2D J-resolved spectrum - + - - - ontology module subsetted by expressivity - ontology module subsetted by expressivity + + + http://www.biomedcentral.com/1471-2105/12/366#B2 + MetaboLab software - + - - - obo basic subset ontology module - A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. + + + Metaboquant software + + -Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). -An ontology is OBO Basic if and only if it has the following characteristics: -DAG -Unidirectional -No Dangling Clauses -Fully Asserted -Fully Labeled -No equivalence axioms -Singly labeled edges -No qualifier lists -No disjointness axioms -No owl-axioms header -No imports - obo basic subset ontology module - + + + + + rNMR software - + - - - ontology module subsetted by OWL profile - ontology module subsetted by OWL profile + + + open source NMR software - + - - - EL++ ontology module - EL++ ontology module + + + commercial NMR software - + - + + + Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208. + NMRLab software + - + - - root node + + + Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293. + NMRPipe software - + - - - - - - - - - - - - - - - - - - - - - - - - - planned process - planned process - Injecting mice with a vaccine in order to test its efficacy - - A process that realizes a plan which is the concretization of a plan specification. - 'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.) - We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some -objectives is a planned process. - Bjoern Peters - branch derived - 6/11/9: Edited at workshop. Used to include: is initiated by an agent - This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call) - - planned process + + + van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. + matNMR software - + - - - regulator role - Fact sheet - Regulating the companies The role of the regulator. Ofwat is the economic regulator of the water and sewerage industry in England and Wales. http://www.ofwat.gov.uk/aptrix/ofwat/publish.nsf/Content/roleofregulator_factsheet170805 - - a regulatory role involved with making and/or enforcing relevant legislation and governmental orders - Person:Jennifer Fostel - regulator - OBI - regulator role + + + concentration of chemical compound - + - - - regulatory role - Regulatory agency, Ethics committee, Approval letter; example: Browse these EPA Regulatory Role subtopics http://www.epa.gov/ebtpages/enviregulatoryrole.html Feb 29, 2008 - - a role which inheres in material entities and is realized in the processes of making, enforcing or being defined by legislation or orders issued by a governmental body. - GROUP: Role branch - OBI, CDISC - govt agents responsible for creating regulations; proxies for enforcing regulations. CDISC definition: regulatory authorities. Bodies having the power to regulate. NOTE: In the ICH GCP guideline the term includes the authorities that review submitted clinical data and those that conduct inspections. These bodies are sometimes referred to as competent - regulatory role + + + manual phase correction - + - - - material supplier role - Jackson Labs is an organization which provide mice as experimental material - - a role realized through the process of supplying materials such as animal subjects, reagents or other materials used in an investigation. - Supplier role is a special kind of service, e.g. biobank - PERSON:Jennifer Fostel - material provider role - supplier - material supplier role + + + automatic phase correction - + - - - - - - - - - - - - - - - - classified data set - - A data set that is produced as the output of a class prediction data transformation and consists of a data set with assigned class labels. - PERSON: James Malone - PERSON: Monnie McGee - data set with assigned class labels - classified data set + + + DC offset correction - + - - - - - - - - - - - - - - - - - - - specimen role - liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient. - - a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation - 22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role. - Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation. - blood taken from animal: animal continues in study, whereas blood has role specimen. -something taken from study subject, leaves the study and becomes the specimen. - parasite example -- when parasite in people we study people, people are subjects and parasites are specimen -- when parasite extracted, they become subject in the following study -specimen can later be subject. - GROUP: Role Branch - OBI - - specimen role + + + http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366 + Gibbs multiplication - + - - - organization - PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods. - - An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members. - BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: + + + skyline projection + + -1) there are organization_member_roles (president, treasurer, branch -editor), with individual persons as bearers -2) there are organization_roles (employer, owner, vendor, patent holder) + -3) an organization has a charter / rules / bylaws, which specify what roles -there are, how they should be realized, and how to modify the -charter/rules/bylaws themselves. + + + shifted sine apodization + shifted sine window function + + -It is debatable what the organization itself is (some kind of dependent -continuant or an aggregate of people). This also determines who/what the -bearer of organization_roles' are. My personal favorite is still to define -organization as a kind of 'legal entity', but thinking it through leads to -all kinds of questions that are clearly outside the scope of OBI. -Interestingly enough, it does not seem to matter much where we place -organization itself, as long as we can subclass it (University, Corporation, -Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, -W3C, University of Oklahoma), and have it play roles. + -This leads to my proposal: We define organization through the statements 1 - -3 above, but without an 'is a' statement for now. We can leave it in its -current place in the is_a hierarchy (material entity) or move it up to -'continuant'. We leave further clarifications to BFO, and close this issue -for now. - PERSON: Alan Ruttenberg - PERSON: Bjoern Peters - PERSON: Philippe Rocca-Serra - PERSON: Susanna Sansone - GROUP: OBI - organization + + + SINC + Sinc window multiplication + sinc window multiplication of FID (1D) - + - - - - - - - - - - - - - - - - - - - - regulatory agency - The US Environmental Protection Agency - - A regulatory agency is a organization that has responsibility over or for the legislation (acts and regulations) for a given sector of the government. - GROUP: OBI Biomaterial Branch - WEB: en.wikipedia.org/wiki/Regulator - regulatory agency + + + http://www.sciencedirect.com/science/article/pii/S0003267008000950 + https://github.com/nmrML/nmrML/issues/36 + combined sine-bell–exponential window function + SEM window function - + - - - - - - - - - - - - - - - - manufacturer role - With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role. - - Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process. - GROUP: Role Branch - OBI - manufacturer role + + + TRAP + trapezoid apodization + Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 + -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization. + trapezoid window function - + - - - - - - - - - - - - - - - - clustered data set - A clustered data set is the output of a K means clustering data transformation - - A data set that is produced as the output of a class discovery data transformation and consists of a data set with assigned discovered class labels. - PERSON: James Malone - PERSON: Monnie McGee - data set with assigned discovered class labels - AR thinks could be a data item instead - clustered data set + + + shifted gaussian window function - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - specimen collection process - drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation - - A planned process with the objective of collecting a specimen. - Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation. - Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role. - Philly2013: The specimen_role for the specimen is created during the specimen collection process. - label changed to 'specimen collection process' on 10/27/2014, details see tracker: -http://sourceforge.net/p/obi/obi-terms/716/ - Bjoern Peters - specimen collection - 5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession - 6/9/09: used at workshop - specimen collection process + + + baseline correction using spline function - + - - - - - - - - - - - - - - - - - class prediction data transformation - - A class prediction data transformation (sometimes called supervised classification) is a data transformation that has objective class prediction. - James Malone - supervised classification data transformation - PERSON: James Malone - class prediction data transformation + + + HSQC NMR spectrum + heteronuclear single quantum coherence spectrum - + - - - specimen collection objective - The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient. - - A objective specification to obtain a material entity for potential use as an input during an investigation. - Bjoern Peters - Bjoern Peters - specimen collection objective + + + Zangger-Sterk pulse sequence - + - - - - - - - - - support vector machine - - A support vector machine is a data transformation with a class prediction objective based on the construction of a separating hyperplane that maximizes the margin between two data sets of vectors in n-dimensional space. - James Malone - Ryan Brinkman - SVM - PERSON: Ryan Brinkman - support vector machine + + + http://nmr.chemistry.manchester.ac.uk/?q=node/256 + pure shift 1D Zangger-Sterk pulse sequence - + - - - decision tree induction objective - - A decision tree induction objective is a data transformation objective in which a tree-like graph of edges and nodes is created and from which the selection of each branch requires that some type of logical decision is made. - James Malone - decision tree induction objective + + + http://nmr.chemistry.manchester.ac.uk/?q=node/264 + oneshot pulse sequence - + - - - - - - - - - - - - - - - decision tree building data transformation - - A decision tree building data transformation is a data transformation that has objective decision tree induction. - James Malone - PERSON: James Malone - decision tree building data transformation + + + http://nmr.chemistry.manchester.ac.uk/?q=node/265 + pure shift oneshot pulse sequence - + - - - GenePattern software - - a software that provides access to more than 100 tools for gene expression analysis, proteomics, SNP analysis and common data processing tasks. - James Malone - Person:Helen Parkinson - WEB: http://www.broadinstitute.org/cancer/software/genepattern/ - GenePattern software + + + http://nmr.chemistry.manchester.ac.uk/?q=node/285 + PE Watergate pulse sequence + perfect echo watergate pulse sequence - + - - - peak matching - - Peak matching is a data transformation performed on a dataset of a graph of ordered data points (e.g. a spectrum) with the objective of pattern matching local maxima above a noise threshold - James Malone - Ryan Brinkman - PERSON: Ryan Brinkman - peak matching + + + NMR Star 3.1 file format - + - - - - - - - - - - - - - - - - - - - k-nearest neighbors - - A k-nearest neighbors is a data transformation which achieves a class discovery or partitioning objective, in which an input data object with vector y is assigned to a class label based upon the k closest training data set points to y; where k is the largest value that class label is assigned. - James Malone - k-NN - PERSON: James Malone - k-nearest neighbors + + + NMR Star 2.1 file format - + - - - CART - - A CART (classification and regression trees) is a data transformation method for producing a classification or regression model with a tree-based structure. - James Malone - classification and regression trees - BOOK: David J. Hand, Heikki Mannila and Padhraic Smyth (2001) Principles of Data Mining. - CART + + + three dimensional spectrum + 3D spectrum - + - - - - - - - - - - - - - - - statistical model validation - Using the expression levels of 20 proteins to predict whether a cancer patient will respond to a drug. A practical goal would be to determine which subset of the 20 features should be used to produce the best predictive model. - wikipedia - - A data transformation which assesses how the results of a statistical analysis will generalize to an independent data set. - Helen Parkinson - http://en.wikipedia.org/wiki/Cross-validation_%28statistics%29 - statistical model validation + + + four dimensional spectrum + 4D spectrum - + - - - - - - - - - - - - - - - - - - - - - - - - - manufacturer - - A person or organization that has a manufacturer role. - manufacturer + + + NMR spectrum by dimensionality - + - - - - - - - - - - - - - - - - service provider role - Jackson Lab provides experimental animals, EBI provides training on databases, a core facility provides access to a DNA sequencer. - - is a role which inheres in a person or organization and is realized in in a planned process which provides access to training, materials or execution of protocols for an organization or person - PERSON:Helen Parkinson - service provider role + + + homonuclear chemical shift spectrum - + - - - categorical label - The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels. - - A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale. - Bjoern Peters - Bjoern Peters - categorical label + + + heteronuclear chemical shift spectrum - + - - - questionnaire - - A document with a set of printed or written questions with a choice of answers, devised for the purposes of a survey or statistical study. - JT: It plays a role in collecting data that could be fleshed out more; but I'm thinking it is, in itself, an edited document. -JZ: based on textual definition of edited document, it can be defined as N&S. I prefer to leave questionnaire as a document now. We can add more restrictions in the future and use that to determine it is an edited document or not. - Need to clarify if this is a document or a directive information entity (or what their connection is)) - PERSON: Jessica Turner - Merriam-Webster - questionnaire + + + Bruker instrument model. + NMR + NMR:1000122 + Bruker instrument model + + + + Bruker instrument model. + MSI:NMR + - + - - - categorical value specification - - A value specification that is specifies one category out of a fixed number of nominal categories - PERSON:Bjoern Peters - categorical value specification + + + homonuclear exchange spectroscopy spectrum - + - - - value specification - The value of 'positive' in a classification scheme of "positive or negative"; the value of '20g' on the quantitative scale of mass. - - An information content entity that specifies a value within a classification scheme or on a quantitative scale. - This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement. - PERSON:Bjoern Peters - value specification + + + heteronuclear exchange spectroscopy spectrum - + - - - - - - - - - - - - - - collection of specimens - Blood cells collected from multiple donors over the course of a study. - - A material entity that has two or more specimens as its parts. - Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/ - Person: Chris Stoeckert, Jie Zheng - OBIB, OBI - Biobank - collection of specimens + + + homonuclear J-resolved spectrum - + - - - histologic grade according to AJCC 7th edition - G1:Well differentiated - G4: Undifferentiated - - A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the American Joint Committee on Cancer (AJCC) 7th Edition grading system. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade according to AJCC 7th edition + + + heteronuclear J-resolved spectrum - + - - - histologic grade according to the Fuhrman Nuclear Grading System - - A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the Fuhrman Nuclear Grading System. - Chris Stoeckert, Helena Ellis - Histologic Grade (Fuhrman Nuclear Grading System) - NCI BBRB, OBI - NCI BBRB - histologic grade according to the Fuhrman Nuclear Grading System + + + calibration test spectrum - + - - - histologic grade for ovarian tumor - - A categorical value specification that is a histologic grade assigned to a ovarian tumor. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade for ovarian tumor + + + NMR star software - + - - - histologic grade for ovarian tumor according to a two-tier grading system - - A histologic grade for ovarian tumor that is from a two-tier histological classification of tumors. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade for ovarian tumor according to a two-tier grading system + + + http://www.felixnmr.com/ + Felix software - + - - - histologic grade for ovarian tumor according to the World Health Organization - - A histologic grade for ovarian tumor that is from a histological classification by the World Health Organization (WHO). - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - histologic grade for ovarian tumor according to the World Health Organization + + + PIPP software - + - - - pathologic primary tumor stage for colon and rectum according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread colorectal primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for colon and rectum according to AJCC 7th edition + + + TALOS+ software - + - - - pathologic primary tumor stage for lung according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread lung primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for lung according to AJCC 7th edition + + + http://www.cyana.org/wiki/index.php/Main_Page + CYANA software - + - - - pathologic primary tumor stage for kidney according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread kidney primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for kidney according to AJCC 7th edition + + + http://nmr.cit.nih.gov/xplor-nih/ + XPLOR-NIH software - + - - - pathologic primary tumor stage for ovary according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - pT: Pathologic spread ovarian primary tumor (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic primary tumor stage for ovary according to AJCC 7th edition + + + computed concentration + request these in UO ? - + - - - pathologic lymph node stage for colon and rectum according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread colon lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for colon and rectum according to AJCC 7th edition + + + http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY + XEASY software - + - - - pathologic lymph node stage for lung according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread colon lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for lung according to AJCC 7th edition + + + sparky software - + - - - pathologic lymph node stage for kidney according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread kidney lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for kidney according to AJCC 7th edition + + + http://nmr-software.blogspot.de/2007/04/cara.html + CARA software - + - - - pathologic lymph node stage for ovary according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes. - Chris Stoeckert, Helena Ellis - pN: Pathologic spread ovarian lymph nodes (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic lymph node stage for ovary according to AJCC 7th edition + + + Wattos software - + - - - pathologic distant metastases stage for colon according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of colon cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: colon distant metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for colon according to AJCC 7th edition + + + MADNMR software - + - - - pathologic distant metastases stage for lung according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: lung distant metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for lung according to AJCC 7th edition + + + Pronto software - + - - - pathologic distant metastases stage for kidney according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: kidney distant Metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for kidney according to AJCC 7th edition + + + TRIAD NMR software - + - - - pathologic distant metastases stage for ovary according to AJCC 7th edition - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery. - Chris Stoeckert, Helena Ellis - M: ovarian distant metastases (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - pathologic distant metastases stage for ovary according to AJCC 7th edition + + + library based computed concentration - + - - - clinical tumor stage group according to AJCC 7th edition - - A categorical value specification that is an assessment of the stage of a cancer according to the American Joint Committee on Cancer (AJCC) v7 staging systems. - Chris Stoeckert, Helena Ellis - Clinical tumor stage group (AJCC 7th Edition) - NCI BBRB, OBI - NCI BBRB - clinical tumor stage group according to AJCC 7th edition + + + Lorenzian (-Integration) (Modeled Area) Estimated Concentration + https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing + Lorenzian estimated concentration - + - - - International Federation of Gynecology and Obstetrics cervical cancer stage value specification - - A categorical value specification that is an assessment of the stage of a gynecologic cancer according to the International Federation of Gynecology and Obstetrics (FIGO) staging systems. - Chris Stoeckert, Helena Ellis - Clinical FIGO stage - NCI BBRB, OBI - NCI BBRB - International Federation of Gynecology and Obstetrics cervical cancer stage value specification + + + Measured Area (Integration) based Concentration + measured area based concentration - + - - - International Federation of Gynecology and Obstetrics ovarian cancer stage value specification - - A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the FIGO classification system. - Chris Stoeckert, Helena Ellis - Pathologic Tumor Stage Grouping for ovarian cancer (FIGO) - NCI BBRB, OBI - NCI BBRB - International Federation of Gynecology and Obstetrics ovarian cancer stage value specification + + + time-domain amplitude computed concentration - + - - - performance status value specification - - A categorical value specification that is an assessment of a participant's performance status (general well-being and activities of daily life). - Chris Stoeckert, Helena Ellis - Performance Status Scale - https://en.wikipedia.org/wiki/Performance_status - NCI BBRB - performance status value specification + + + group time delay compensation + http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html + This is independent of the bruker acquisition parameter named "GRPDLY" (Group Delay), but this is a "shift" applied on the fid to calibrate its zero - + - - - Eastern Cooperative Oncology Group score value specification - - A performance status value specification designed by the Eastern Cooperative Oncology Group to assess disease progression and its affect on the daily living abilities of the patient. - Chris Stoeckert, Helena Ellis - ECOG score - NCI BBRB, OBI - NCI BBRB - Eastern Cooperative Oncology Group score value specification + + + scaling by forward linear prediction - + - - - Karnofsky score vaue specification - - A performance status value specification designed for classifying patients 16 years of age or older by their functional impairment. - Chris Stoeckert, Helena Ellis - Karnofsky Score - NCI BBRB, OBI - NCI BBRB - Karnofsky score vaue specification + + + back calculation of first points by linear-prediction - + - - - - - - - - - - - - - - - - - - - - - - - - - material supplier - - A person or organization that provides material supplies to other people or organizations. - Rebecca Jackson - https://github.com/obi-ontology/obi/issues/1289 - material supplier + + + scaling by mirror image linear prediction - + - - - - - - - - - - - - - - - - - - - - specimen - Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen. - - A material entity that has the specimen role. - Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation. - PERSON: James Malone - PERSON: Philippe Rocca-Serra - GROUP: OBI Biomaterial Branch - - specimen + + + digital filtering - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - data transformation - The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value. - - A planned process that produces output data from input data. - Elisabetta Manduchi - Helen Parkinson - James Malone - Melanie Courtot - Philippe Rocca-Serra - Richard Scheuermann - Ryan Brinkman - Tina Hernandez-Boussard - data analysis - data processing - Branch editors - - data transformation + + + Daniel Schober + http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html + 3D strip plot generation + A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. +The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus. - + - - - leave one out cross validation method - The authors conducted leave-one-out cross validation to estimate the strength and accuracy of the differentially expressed filtered genes. http://bioinformatics.oxfordjournals.org/cgi/content/abstract/19/3/368 - - is a data transformation : leave-one-out cross-validation (LOOCV) involves using a single observation from the original sample as the validation data, and the remaining observations as the training data. This is repeated such that each observation in the sample is used once as the validation data - 2009-11-10. Tracker: https://sourceforge.net/tracker/?func=detail&aid=2893049&group_id=177891&atid=886178 - Person:Helen Parkinson - leave one out cross validation method + + + Batman software - + - - - - - - - - - - - - - - - - - - - k-means clustering - - A k-means clustering is a data transformation which achieves a class discovery or partitioning objective, which takes as input a collection of objects (represented as points in multidimensional space) and which partitions them into a specified number k of clusters. The algorithm attempts to find the centers of natural clusters in the data. The most common form of the algorithm starts by partitioning the input points into k initial sets, either at random or using some heuristic data. It then calculates the mean point, or centroid, of each set. It constructs a new partition by associating each point with the closest centroid. Then the centroids are recalculated for the new clusters, and the algorithm repeated by alternate applications of these two steps until convergence, which is obtained when the points no longer switch clusters (or alternatively centroids are no longer changed). - Elisabetta Manduchi - James Malone - Philippe Rocca-Serra - WEB: http://en.wikipedia.org/wiki/K-means - k-means clustering + + + JEOL instrument model - + - - - - - - - - - - - - - - - - - - hierarchical clustering - - A hierarchical clustering is a data transformation which achieves a class discovery objective, which takes as input data item and builds a hierarchy of clusters. The traditional representation of this hierarchy is a tree (visualized by a dendrogram), with the individual input objects at one end (leaves) and a single cluster containing every object at the other (root). - James Malone - WEB: http://en.wikipedia.org/wiki/Data_clustering#Hierarchical_clustering - hierarchical clustering + + + tecmag instrument model - + - - - - - - - - - - - - - - - - - - dimensionality reduction - - A dimensionality reduction is data partitioning which transforms each input m-dimensional vector (x_1, x_2, ..., x_m) into an output n-dimensional vector (y_1, y_2, ..., y_n), where n is smaller than m. - Elisabetta Manduchi - James Malone - Melanie Courtot - Philippe Rocca-Serra - data projection - PERSON: Elisabetta Manduchi - PERSON: James Malone - PERSON: Melanie Courtot - dimensionality reduction + + + Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43 + Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125 + automatic baseline recognition - + - - - principal components analysis dimensionality reduction - - A principal components analysis dimensionality reduction is a dimensionality reduction achieved by applying principal components analysis and by keeping low-order principal components and excluding higher-order ones. - Elisabetta Manduchi - James Malone - Melanie Courtot - Philippe Rocca-Serra - pca data reduction - PERSON: Elisabetta Manduchi - PERSON: James Malone - PERSON: Melanie Courtot - principal components analysis dimensionality reduction + + + Deprecated in favor of CHEBI equivalent class. + + + TSP + obsolete_Trimethylsilyl propionate + true - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - data visualization - Generation of a heatmap from a microarray dataset - - A planned process with the objective to graphically represent some data by inputing the data and outputting images, diagrams or animations. - Elisabetta Manduchi - James Malone - Melanie Courtot - Tina Boussard - data encoding as image - visualization - PERSON: Elisabetta Manduchi - PERSON: James Malone - PERSON: Melanie Courtot - PERSON: Tina Boussard - Possible future hierarchy might include this: -information_encoding ->data_encoding ->>image_encoding - data visualization + + + pulse sequence from Wishart lab library + TMIC lab pulse sequence - + - - - data transformation objective - normalize objective - - An objective specification to transformation input data into output data - Modified definition in 2013 Philly OBI workshop - James Malone - PERSON: James Malone - data transformation objective + + + probe gradient strength - + - - - - - - - - - - - - - - - partitioning data transformation - - A partitioning data transformation is a data transformation that has objective partitioning. - James Malone - PERSON: James Malone - partitioning data transformation + + + e.g. Linux or Windows, ... + NMR acquisition computer operating system - + - - - partitioning objective - A k-means clustering which has partitioning objective is a data transformation in which the input data is partitioned into k output sets. - - A partitioning objective is a data transformation objective where the aim is to generate a collection of disjoint non-empty subsets whose union equals a non-empty input set. - Elisabetta Manduchi - James Malone - PERSON: Elisabetta Manduchi - partitioning objective + + + e.g. Bruker Biospin ICON-NMR + NMR autosampler software - + - + + + Bruker Biospin ICON-NMR software + http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html + + + + + + + + + buffer pH + + + + + + + + + e.g. heavy water (D2O) + lock frequency + field frequency lock + + + + + + + - - - - - + + - - + + - + - - class discovery data transformation - - A class discovery data transformation (sometimes called unsupervised classification) is a data transformation that has objective class discovery. - James Malone - clustering data transformation - unsupervised classification data transformation - PERSON: James Malone - class discovery data transformation + + + + + + + + A calibration compound that has a role concentration calibration compound in nuclear magnetic resonance (NMR) spectroscopy. + + quantitation standard + concentration calibration compound - + - - - class discovery objective - - A class discovery objective (sometimes called unsupervised classification) is a data transformation objective where the aim is to organize input data (typically vectors of attributes) into classes, where the number of classes and their specifications are not known a priori. Depending on usage, the class assignment can be definite or probabilistic. - James Malone - clustering objective - discriminant analysis objective - unsupervised classification objective - PERSON: Elisabetta Manduchi - PERSON: James Malone - class discovery objective + + + NMR acquisition software - + - - - class prediction objective - - A class prediction objective (sometimes called supervised classification) is a data transformation objective where the aim is to create a predictor from training data through a machine learning technique. The training data consist of pairs of objects (typically vectors of attributes) and -class labels for these objects. The resulting predictor can be used to attach class labels to any valid novel input object. Depending on usage, the prediction can be definite or probabilistic. A classification is learned from the training data and can then be tested on test data. - James Malone - classification objective - supervised classification objective - PERSON: Elisabetta Manduchi - PERSON: James Malone - class prediction objective + + + CIMR MI standard - + - - - cross validation objective - - A cross validation objective is a data transformation objective in which the aim is to partition a sample of data into subsets such that the analysis is initially performed on a single subset, while the other subset(s) are retained for subsequent use in confirming and validating the initial analysis. - James Malone - rotation estimation objective - WEB: http://en.wikipedia.org/wiki/Cross_validation - cross validation objective + + + signal line width check - + - - - - - - - - - - - - - - - - - - - - - - - - - clustered data visualization - - A data visualization which has input of a clustered data set and produces an output of a report graph which is capable of rendering data of this type. - James Malone - clustered data visualization + + + signal line width at five percent intensity check - + - + + + NMR spectrum descriptor + - + + + + pulse width + - + - - - example to be eventually removed - example to be eventually removed - + + + hard pulse width + - + - - - failed exploratory term - The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job - Person:Alan Ruttenberg - failed exploratory term - + + + spectrum width + sweep width + - + - - - metadata complete - Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete. - metadata complete - + + + number of data points in spectrum + number of first dimension data points + number of data points + - + - - - organizational term - Term created to ease viewing/sort terms for development purpose, and will not be included in a release - organizational term - + + + tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + x end value + - + - - - ready for release - Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release." - ready for release - + + + y-axis type + - + - - - metadata incomplete - Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors. - metadata incomplete - + + + bucket x center + center of bin on x-axis + - + - - - uncurated - Nothing done yet beyond assigning a unique class ID and proposing a preferred term. - uncurated - + + + NMR spectrum quantification method + spectral quantitation algorithm + - + - - - pending final vetting - All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor. - pending final vetting - + + + The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization. + NMRProcFlow software + http://www.nmrprocflow.org/ + - + - - Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes. - PERSON: Alan Ruttenberg - PERSON: Melanie Courtot - - obsolete_core - true - + + + Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture. + Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219. + Bayesil software + http://bayesil.ca/ + - + - - - placeholder removed - placeholder removed - + + + nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format. + Uses JspectraView Software + nmrML Assign + http://nmrml.bayesil.ca/ + - + - - - terms merged - An editor note should explain what were the merged terms and the reason for the merge. - terms merged - + + + d + doublet feature + - + - - - term imported - This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use. - term imported - + + + t + triplet feature + - + - - - term split - This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created. - term split - + + + q + quatruplet feature + - + - - - universal - Hard to give a definition for. Intuitively a "natural kind" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents. - Alan Ruttenberg - A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf - universal - + + + a set of peaks that are highly correlated in a series of samples + a feature request by Daniel Jacob inserted at IBP hackathon + cluster of peaks across samples + - + - - - defined class - A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal - "definitions", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal. - Alan Ruttenberg - defined class - + + + simulated spectrum + - + - - - named class expression - A named class expression is a logical expression that is given a name. The name can be used in place of the expression. - named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions - Alan Ruttenberg - named class expression - + + + pulse parameter + - + - - - to be replaced with external ontology term - Terms with this status should eventually replaced with a term from another ontology. - Alan Ruttenberg - group:OBI - to be replaced with external ontology term - + + + JEOL FID format + - + - - - requires discussion - A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues. - Alan Ruttenberg - group:OBI - requires discussion - + + + dd + doublet of doublets feature + - + - - - Transformation-ML - Transformation-ML file describing parameter transformations used in a GvHD experiment. - - Transformation-ML is a format standard of a digital entity that is conformant with the Transformation-ML standard.(http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf) - person:Jennifer Fostel - web-page:http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf - Transformation-ML - + + + ABX multiplet pattern + AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods. + http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm + - + - - - ACS - d06.acs, ACS1.0 data file of well D06 of plate 2 of part 1 of a GvHD experiment. - - ACS is a format standard of a digital entity that is conformant with the Analytical Cytometry Standard. (http://www.isac-net.org/content/view/607/150/) - person:Jennifer Fostel - web-page:http://www.isac-net.org/content/view/607/150/ - ACS - + + + s + singlet feature + - + - - - XML - RDF/XML file, OWL file, Compensation-ML file, WSDL document, SVG document - - XML is a format standard of a digital entity that is conformant with the W3C Extensible Markup Language Recommendation.(http://www.w3.org/XML/) - person:Jennifer Fostel - web-page:http://www.w3.org/XML/ - XML - + + + qi + quintet feature + - + - - - RDF - A FOAF file, a SKOS file, an OWL file. - - RDF is a format standard of a digital entity that is conformant with the W3C Resource Description Framework RDF/XML Syntax specification.(http://www.w3.org/RDF/) - person:Jennifer Fostel - web-page:http://www.w3.org/RDF/ - RDF - + + + dt + doublet of triplets + - + - - - zip - MagicDraw MDZIP archive, Java JAR file. - - zip is a format standard of a digital entity that is conformant with the PKWARE .ZIP file format specification (http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/) - person:Jennifer Fostel - web-page:http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/ - zip - + + + td + triplet of douplets + - + - - - tar - Example.tar file. - - tar is a format standard of a digital entity that is conformant with the tape archive file format as standardized by POSIX.1-1998, POSIX.1-2001, or any other tar format compliant with the GNU tar specification. (http://www.gnu.org/software/tar/manual/) - person:Jennifer Fostel - web-page:http://www.gnu.org/software/tar/manual/ - tar - + + + tt + triplet of triplets + - + - - - FCS - d01.fcs, FCS3 data file of well D06 of plate 2 of part 1 of a GvHD experiment. - - FCS is a format standard of a digital entity that is conformant with the Flow Cytometry Data File Standard.(http://www.fcspress.com/) - person:Jennifer Fostel - web-page:http://www.fcspress.com/ - FCS - + + + NMR spectrum by pulse sequence + - + - - - Compensation-ML - compfoo.xml, Compensation-ML file describing compensation used in a GvHD experiment - - Compensation-ML is a format standard of a digital entity that is conformant with the Compensation-ML standard. (http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf) - person:Jennifer Fostel - web-page:http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf - Compensation-ML - + + + NMR spectrum by processing step + - + - - - Gating-ML - foogate.xml, Gating-ML file describing gates used in a GvHD experiment. - - Gating-ML is a format standard of a digital entity that is conformant with the Gating-ML standard. (http://www.flowcyt.org/gating/) - person:Jennifer Fostel - web-page:http://www.flowcyt.org/gating/ - Gating-ML - + + + 2D spectrum coordinate system descriptor + - + - - - OWL - OBI ontology file, Basic Formal Ontology file, BIRNLex file, BioPAX file. - - OWL is a format standard of a digital entity that is conformant with the W3C Web Ontology Language specification.(http://www.w3.org/2004/OWL/) - person:Jennifer Fostel - web-page:http://www.w3.org/2004/OWL/ - OWL - + + + y-axis value type + the subclasses come from the Rubtsov specification + - + - - - - Affymetrix - Affymetrix supplied microarray - - An organization which supplies technology, tools and protocols for use in high throughput applications - Affymetrix - + + + power value type + - + - - - Thermo - - Philippe Rocca-Serra - Thermo - + + + magnitude value type + - + - - - Waters - - Philippe Rocca-Serra - Waters - + + + real value type + - + - - - BIO-RAD - - Philippe Rocca-Serra - BIO-RAD - + + + imaginary value type + - + - - - GenePattern hierarchical clustering - - James Malone - GenePattern hierarchical clustering - + + + complex value types + - + - - - Ambion - - Philippe Rocca-Serra - Ambion - + + + spectral projection axis + - + - - - Helicos - - Philippe Rocca-Serra - Helicos - + + + f1 axis + - + - - - Roche - - Philippe Rocca-Serra - Roche - + + + f2 axis + - + - - - Illumina - - Philippe Rocca-Serra - Illumina - + + + NMR Format converter + - + - - - GenePattern PCA - - GenePattern PCA - + + + BML-NMR identifier + - + - - - - GenePattern module SVM - - GenePattern module SVM is a GenePattern software module which is used to run a support vector machine data transformation. - James Malone - Ryan Brinkman - GenePattern module SVM - + + DEPRECATED will be further specified via a concentration value + Not considered relevant anymore. + DEPRECATED creatinine + true + - + - - - GenePattern k-nearest neighbors - - James Malone - GenePattern k-nearest neighbors - + + + 2D pulse sequence + - + - - - GenePattern LOOCV - - GenePattern LOOCV - + + + used to be labeled 'NMR spectrum simulation' + data simulation + - + - - - GenePattern k-means clustering - - James Malone - GenePattern k-means clustering - + + + DNP NMR + dynamic nuclear polarization enhanced NMR system + dynamic nuclear polarization NMR instrument + - + - - - Agilent - - Philippe Rocca-Serra - Agilent - + + + Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis + http://en.wikipedia.org/wiki/Chemical_shift + chemical shift + - + - - - - GenePattern module KMeansClustering - - GenePattern module KMeansClustering is a GenePattern software module which is used to perform a k Means clustering data transformation. - James Malone - PERSON: James Malone - GenePattern module KMeansClustering - + + + an information object that describes the strength of the NMR signal + nmr signal intensity + - + - - - GenePattern CART - - James Malone - GenePattern CART - + + + baseline correction using polynomial function + - + - - - - - GenePattern module CARTXValidation - - GenePattern module CARTXValidation is a GenePattern software module which uses a CART decision tree induction with a leave one out cross validation data transformations. - GenePattern module CARTXValidation - + + + first transient of the tnnoesy-presaturation pulse sequence + - + - - - Li-Cor - - Philippe Rocca-Serra - Li-Cor - + + + Varian acquisition parameter file + - + - - - Bruker Corporation - - Philippe Rocca-Serra - Bruker Corporation - + + + procpar + - + - - - GenePattern module KNNXValidation - - GenePattern module KNNXValidation is a GenePattern software module which uses a k-nearest neighbours clustering with a leave one out cross validation data transformations. - James Malone - PERSON: James Malone - GenePattern module KNNXValidation - + + + acqus + - + - - - - GenePattern module PeakMatch - - GenePattern module PeakMatch - + + + Bruker acquisition parameter file + - + - - - - GenePattern module KNN - - GenePattern module KNN is a GenePattern software module which perform a k-nearest neighbors data transformation. - James Malone - GenePattern module KNN - + + + NMR + NMR:1000231 + peak feature + - + - - - - GenePattern module HierarchicalClustering - - GenePattern module HierarchicalClustering is a GenePattern software module which is used to perform a hierarchical clustering data transformation. - James Malone - PERSON: James Malone - GenePattern module HierarchicalClustering - + + + global + - + - - - GenePattern SVM - - James Malone - GenePattern SVM - + + + + + + + + + Varian autosampler + - + - - - Applied Biosystems - - Philippe Rocca-Serra - Applied Biosystems - + + + Varian SMS 50 + - + - - - - GenePattern module PCA - - GenePattern module PCA is a GenePattern software module which is used to perform a principal components analysis dimensionality reduction data transformation. - James Malone - PERSON: James Malone - GenePattern module PCA - + + + + + + + + + Varian probe + - + - - - GenePattern peak matching - - James Malone - Ryan Brinkman - GenePattern peak matching - + + + 5mm HCN probe + - + - - - Bruker Daltonics - - Philippe Rocca-Serra - Bruker Daltonics - + + + Varian liquid cold probe + - + - - - GenePattern HeatMapViewer data visualization - - The GenePattern process of generating Heat Maps from clustered data. - James Malone - GenePattern HeatMapViewer data visualization - + + + e.g as in HMDB + reference compound NMR spectrum + - + - - - GenePattern HierarchicalClusteringViewer data visualization - - The GenePattern process of generating hierarchical clustering visualization from clustered data. - James Malone - GenePattern HierarchicalClusteringViewer data visualization - + + + Mestrelab software + - + - - - - GenePattern module HeatMapViewer - - A GenePattern software module which is used to generate a heatmap view of data. - James Malone - GenePattern module HeatMapViewer - + + + ACD spectrus software + - + - - - - GenePattern module HierarchicalClusteringViewer - - A GenePattern software module which is used to generate a view of data that has been hierarchically clustered. - James Malone - GenePattern module HierarchicalClusteringViewer - + + + Mat NMR 3 software + - + - - - Sysmex Corporation, Kobe, Japan - - WEB:http://www.sysmex.com/@2009/08/06 - Sysmex Corporation, Kobe, Japan - + + + NMRLab software + - + - - - U.S. Food and Drug Administration - - FDA - U.S. Food and Drug Administration - + + + Spinworks NMR software + - + - - - right handed - - right handed - + + + NMR software vendor + - + - - - ambidexterous - - ambidexterous - + + + Spinworks + - + - - - left handed - - left handed - + + + iNMR software + - + - - - Edingburgh handedness inventory - - The Edinburgh Handedness Inventory is a set of questions used to assess the dominance of a person's right or left hand in everyday activities. - PERSON:Alan Ruttenberg - PERSON:Jessica Turner - PMID:5146491#Oldfield, R.C. (1971). The assessment and analysis of handedness: The Edinburgh inventory. Neuropsychologia, 9, 97-113 - WEB:http://www.cse.yorku.ca/course_archive/2006-07/W/4441/EdinburghInventory.html - Edingburgh handedness inventory - + + + NMR pipe + - + - - - eBioscience - - Karin Breuer - WEB:http://www.ebioscience.com/@2011/04/11 - eBioscience - + + + cule NMR software + - + - - - Cytopeia - - Karin Breuer - WEB:http://www.cytopeia.com/@2011/04/11 - Cytopeia - + + + Git: nmrML\tools\Parser_and_Converters\Matlab + By Batman/ Tim Ebbels Group + Matlab to nmrML converter + - + - - - Exalpha Biological - - Karin Breuer - WEB:http://www.exalpha.com/@2011/04/11 - Exalpha Biological - + + + Bruker processing parameter file + - + - - - Apogee Flow Systems - - Karin Breuer - WEB:http://www.apogeeflow.com/@2011/04/11 - Apogee Flow Systems - + + + procs + - + - - - Exbio Antibodies - - Karin Breuer - WEB:http://www.exbio.cz/@2011/04/11 - Exbio Antibodies - + + + Varian processing parameter file + - + - - - Becton Dickinson (BD Biosciences) - - Karin Breuer - WEB:http://www.bdbiosciences.com/@2011/04/11 - Becton Dickinson (BD Biosciences) - + + + http://mmcd.nmrfam.wisc.edu/ + PRS: rename 'identifyer' to 'identifier' + Madison Metabolomics Consortium Database MMCD identifier + - + - - - Dako Cytomation - - Karin Breuer - WEB:http://www.dakousa.com/@2011/04/11 - Dako Cytomation - + + + http://bigg.ucsd.edu/ + Bigg metabolomics database identifier + - + - - - Millipore - - Karin Breuer - WEB:http://www.guavatechnologies.com/@2011/04/11 - Millipore - + + + Lorentz-to-Gauss apodization + Functional form: + gm(x_i) = exp(e - g*g) + Where: e = pi*i*g1 + g = 0.6*pi*g2*(g3*(size-1)-i) + Parameters: + * data Array of spectral data. + * g1 Inverse exponential width. + * g2 Gaussian broaden width. + * g3 Location of gauss maximum. + * inv Set True for inverse apodization. + Lorentz Gaussian window function + - + - - - Antigenix - - Karin Breuer - WEB:http://www.antigenix.com/@2011/04/11 - Antigenix - + + + TRAF + Transform of Reverse Added FIDs + traf window function + A Window function described by Daniel Traficante in their original paper. + - + - - - Partec - - Karin Breuer - WEB:http://www.partec.de/@2011/04/11 - Partec - + + + TRAFS + trafs window function + - + - - - Beckman Coulter - - Karin Breuer - WEB:http://www.beckmancoulter.com/@2011/04/11 - Beckman Coulter - + + + peak fitting + - + - - - Advanced Instruments Inc. (AI Companies) - - Karin Breuer - WEB:http://www.aicompanies.com/@2011/04/11 - Advanced Instruments Inc. (AI Companies) - + + + peak assignment + - + - - - Miltenyi Biotec - - Karin Breuer - WEB:http://www.miltenyibiotec.com/@2011/04/11 - Miltenyi Biotec - + + + deconvolution + - + - - - AES Chemunex - - Karin Breuer - WEB:http://www.aeschemunex.com/@2011/04/11 - AES Chemunex - + + + A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks. + chemical shift sorting + - + - - - Bentley Instruments - - Karin Breuer - WEB:http://bentleyinstruments.com/@2011/04/11 - Bentley Instruments - + + + fid file + - + - - - Invitrogen - - Karin Breuer - WEB:http://www.invitrogen.com/@2011/04/11 - Invitrogen - + + + Varian FID file + - + - - - Luminex - - Karin Breuer - WEB:http://www.luminexcorp.com/@2011/04/11 - Luminex - + + + Bruker FID file + - + - - - CytoBuoy - - Karin Breuer - WEB:http://www.cytobuoy.com/@2011/04/11 - CytoBuoy - + + + Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061 + Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing + ERVA-based bucketing + - + - - - Nimblegen - - An organization that focuses on manufacturing target enrichment probe pools for DNA sequencing. - Person: Jie Zheng - Nimblegen - + + + cluster of peaks + - + - - - Pacific Biosciences - - An organization that supplies tools for studying the synthesis and regulation of DNA, RNA and protein. It developed a powerful technology platform called single molecule real-time (SMRT) technology which enables real-time analysis of biomolecules with single molecule resolution. - Person: Jie Zheng - Pacific Biosciences - + + + Match NMR tube + - + - - - NanoString Technologies - - An organization that supplies life science tools for translational research and molecular diagnostics based on a novel digital molecular barcoding technology. The NanoString platform can provide simple, multiplexed digital profiling of single molecules. - NanoString Technologies - + + + shaped tube + - + - - - Thermo Fisher Scientific - - An organization that is an American multinational, biotechnology product development company, created in 2006 by the merger of Thermo Electron and Fisher Scientific. - Chris Stoeckert, Helena Ellis - https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific - Thermo Fisher Scientific - + + + Shigemi tube + - + - - - G1: Well differentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells and the organization of the tumor tissue appear close to normal. - Chris Stoeckert, Helena Ellis - G1 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G1: Well differentiated - + + + standard tube + - + - - - G2: Moderately differentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells are moderately differentiated and reflect an intermediate grade. - Chris Stoeckert, Helena Ellis - G2 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G2: Moderately differentiated - + + + + + + + + + Bruker tube + - + - - - G3: Poorly differentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells are poorly differentiated and do not look like normal cells and tissue. - Chris Stoeckert, Helena Ellis - G3 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G3: Poorly differentiated - + + + + + + + + + JEOL magnet + http://www.jeolusa.com/PRODUCTS/Nuclear-Magnetic-Resonance/Magnets + - + - - - G4: Undifferentiated - - A histologic grade according to AJCC 7th edition indicating that the tumor cells are undifferentiated and do not look like normal cells and tissue. - Chris Stoeckert, Helena Ellis - G4 - https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet - NCI BBRB - G4: Undifferentiated - + + + JEOL ECS magnet + - + - - - G1 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are round, uniform, approximately 10um and that nucleoli are inconspicuous or absent. - Chris Stoeckert, Helena Ellis - Grade 1 - NCI BBRB, OBI - NCI BBRB - G1 (Fuhrman) - + + + JEOL ECA magnet + - + - - - G2 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are slightly irregular, approximately 15um and nucleoli are evident. - Chris Stoeckert, Helena Ellis - Grade 2 - NCI BBRB, OBI - NCI BBRB - G2 (Fuhrman) - + + + JEOL ECX magnet + - + - - - G3 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are very irregular, approximately 20um and nucleoli large and prominent. - Chris Stoeckert, Helena Ellis - Grade 3 - NCI BBRB, OBI - NCI BBRB - G3 (Fuhrman) - + + + Varian NMR software + - + - - - G4 (Fuhrman) - - A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei arei bizarre and multilobulated, 20um or greater and nucleoli are prominent and chromatin clumped. - Chris Stoeckert, Helena Ellis - Grade 4 - NCI BBRB, OBI - NCI BBRB - G4 (Fuhrman) - + + + VnmrJ software + - + - - - Low grade ovarian tumor - - A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is low grade. - Chris Stoeckert, Helena Ellis - Low grade - NCI BBRB, OBI - NCI BBRB - Low grade ovarian tumor - + + + + + + + + + Wilmad tube + - + - - - High grade ovarian tumor - - A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is high grade. - Chris Stoeckert, Helena Ellis - High grade - NCI BBRB, OBI - NCI BBRB - High grade ovarian tumor - + + + 4mm Match tube + - + - - - G1 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is well differentiated. - Chris Stoeckert, Helena Ellis - G1 - NCI BBRB, OBI - NCI BBRB - G1 (WHO) - + + + 2.5mm Match tube + - + - - - G2 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is moderately differentiated. - Chris Stoeckert, Helena Ellis - G2 - NCI BBRB, OBI - NCI BBRB - G2 (WHO) - + + + 3mm Match tube + - + - - - G3 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is poorly differentiated. - Chris Stoeckert, Helena Ellis - G3 - NCI BBRB, OBI - NCI BBRB - G3 (WHO) - + + + 5mm Match tube + - + - - - G4 (WHO) - - A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is undifferentiated. - Chris Stoeckert, Helena Ellis - G4 - NCI BBRB, OBI - NCI BBRB - G4 (WHO) - + + + 1mm Match tube + - + - - - pT0 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT0 (colon) - + + + 1.7mm Match tube + - + - - - pTis (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating carcinoma in situ (intraepithelial or invasion of lamina propria). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pTis (colon) - + + + 2mm Match tube + - + - - - pT1 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades submucosa. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT1 (colon) - + + + 4.25mm Match tube + - + - - - pT2 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades muscularis propria. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT2 (colon) - + + + 3mm standard tube + - + - - - pT3 (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades subserosa or into non-peritionealized pericolic or perirectal tissues. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT3 (colon) - + + + 5mm standard tube + - + - - - pT4a (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor perforates visceral peritoneum. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT4a (colon) - + + + 1mm standard tube + - + - - - pT4b (colon) - - A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor directly invades other organs or structures. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/ - NCI BBRB - pT4b (colon) - + + + 1.7mm standard tube + - + - - - pT0 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT0 (lung) - + + + Wilmad economy tube + - + - - - pTis (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating carcinoma in situ. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pTis (lung) - + + + Wilmad precision tube + - + - - - pT1 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 3 cm or less in greatest dimension, surrounded by lung or visceral pleura without bronchoscopic evidence of invasion more proximal than the lobar bronchus (i.e., not in the main bronchus). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT1 (lung) - + + + + + + + + + Norell tube + - + - - - pT1a (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 2 cm or less in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT1a (lung) - + + + JEOL FID file + - + - - - pT1b (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 2 cm but not more than 3 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT1b (lung) - + + + Git: nmrML\tools\Parser_and_Converters\R + R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de + nmRIO + - + - - - pT2 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 7 cm or the tumor has any of the following features: involves main bronchus, 2 cm or more distal to the carina, invades visceral pleura, associated with atelectasis or obstructive pneumonitis that extends to the hilar region but does not involve the entire lung. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT2 (lung) - + + + Git: nmrML\tools\Parser_and_Converters\R\rNMR-IO + rNMR-IO + + + + + + + + + Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. +As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. + +The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. + +The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step. + Git: nmrML\tools\Parser_and_Converters\Java\converter + Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion. + Vendor2nmrML_Java + + + + + + + + + + + + + + + Agilent magnet + Varian magnet + + + + + + + + + premium compact narrow bore magnet + + + + + + + + + premium shielded narrow bore magnet + + + + + + + + + premium shielded wide bore magnet + + + + + + + + + modified gaussian apodization + Functional form: + gmb(x_i) = exp(-a*i - b*i*i) + Parameters: + * data Array of spectral data. + * a Exponential term. + * b Gaussian term. + * inv Set True for inverse apodization. + modified Gaussian window function + + + + + + + + + exponentially damped J-modulation apodization + Functional form: + jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) + Parameters: + * data Array of spectral data. + * e Exponential term. + * off Start of modulation in fraction of pi radians. + * end End of modulation in fraction of pi radians. + * inv Set True for inverse apodization + exponentially damped J-modulation window function + + + + + + + + + shifted sine-bell apodization + Functional form: + sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow + Parameters: + * data Array of spectral data. + * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) + * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) + * pow Power of Sine-Bell + * inv Set True for inverse apodization. + shifted sine bell window function + + + + + + + + + triangle apodization + Functional form: + 0:loc linear increase/decrease from lHi to 1.0 + loc: linear increase/decrease from 1.0 to rHi + + Parameters: + * data Array of spectral data. + * loc Location of apex, "auto" sets to middle. + * lHi Left side starting height. + * rHi Right side starting height. + * inv Set True for inverse apodization. + triangle window function + + + + + + + + + The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry. + acquisition log file + + + + + + + + + Git: nmrML\tools\Parser_and_Converters\python + A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton. + PynmrML + + + + + + + + + A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources. + Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380 + MetaboAnalyst software + www.metaboanalyst.ca + + + + + + + + + acqu2s + + + + + + + + + acqu3s + + + + + + + + + proc2s + + + + + + + + + proc3s + + + + + + + + + NMR spectrum file + + + + + + + + + Bruker NMR spectrum file + + + + + + + + + 1R file + + + + + + + + + title file + + + + + + + + + A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes. + Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486 + XEASY software + + + + + + + + + NMR spectrum vizualisation software + + + + + + + + + Used in NMR Assign tool for Baysil + JspectraView software + + + + + + + + + cryoprobe + + + + + + + + + inverse detection NMR probe + + + + + + + + + + + + 5mm inverse detection cryoprobe + + + + + + + + + Git: nmrML\tools\Visualizers\PMB_NMRviewer + Developed by Daniel Jacob, INRA Bordeaux + NMRViewer software + http://services.cbib.u-bordeaux2.fr/SPECNMR/examples + + + + + + + + + material processing + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AB multiplet pattern + + + + + + + + + + + + + + + + + + + + + + + + + + NMR solvent + A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy + NMR solvent (molecular entity) + + + + + + true + + + + + NMR solvent (molecular entity) + We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI. + + + + + + + + + Use Chebi entities here. + NMR buffer + + + + + + + + + presat water suppression + + + + + + + + + Varian VNMRS 600 + + + + + + + + + data content encoding + + + + + + + + + data compression scheme + + + + + + + + + byte format + + + + + + + + + zlib + + + + + + + + + complex64 + This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values. + + + + + + + + + complex128 + This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values. + + + + + + + + + binary data compression type + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AB2 multiplet pattern + + + + + + + + + data encoding parameter + + + + + + + + + uncompressed data + + + + + + + + + DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer + DSPFVS + digital signal processing firmware version + + + + + + + + + DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid. + DECIM + decimation factor + + + + + + + + + GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. "The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.") + GRPDLY + group time delay + + + + + + + + + NMR sampling strategy + a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition. + + + + + + + + + continuous sampling + uniform sampling + With uniform sampling, each sample is separated by the "dwell time". + With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform + + + + + + + + + http://link.springer.com/chapter/10.1007%2F1-4020-3910-7_142#page-1 + sparse sampling + non-uniform sampling + with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data. + Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly + + + + + + + + + Bruker XWIN-NMR software + + + + + + + + + software attribute + + + + + + + + + NMR software version + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + ABX3 multiplet pattern + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AA'BB' multiplet pattern + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + AA'XX' multiplet pattern + + + + + + + + + variable size bucketing + + + + + + + + + uniform bucketing + + + + + + + + + intelligent bucketing + + + + + + + + + bucket importing + + + + + + + + + put in as reqired by NMRProcFlow tool + bucket resetting + + + + + + + + + as needed for nmrProcFlow + global baseline correction + + + + + + + + + as needed for nmrProcFlow + local baseline correction + + + + + + + + + bucket fusioning + + + + + + + + + duplicate of http://nmrML.org/nmrCV#NMR:1400227 + + + obsolete_JNM-ECX Series FT NMR instrument + true + + + + + + + + + JNM-ECZR Series FT NMR instrument + JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. +Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. +The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. +400 MHz - 1 GHz + + + + + + + + + JNM-ECZS Series FT NMR instrument + The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. +Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. +Whatever your application field ECZS can demonstrate its power. +400 MHz + + + + + + + + + AVANCE III HD + + + + + + + + + NanoBay400 MHz + + + + + + + + + Fourier 300HD + + + + + + + + + DNP-NMR + + + + + + + + + LC-NMR instrument + + + + + + + + + LC-NMR/MS instrument + + + + + + + + + Food-Screener instrument + + + + + + + + + AVANCE IVDr + + + + + + + + + JEOL Resonance 400MHz YH magnet + + + + + + + + + JEOL Resonance 500MHz magnet + + + + + + + + + JEOL Resonance 600MHz magnet + + + + + + + + + JEOL Resonance 700MHz magnet + + + + + + + + + JEOL Resonance 800MHz magnet + + + + + + + + + single peak feature + + + + + + + + + NMR instrument vendor + Any organisation ort person that sells NMR instruments to customers. + + + + + + + + + Avance I spectrometer + + + + + + + + + Varian Inova 500 + + + + + + + + + Varian VNMRS instrument + + + + + + + + + Varian Mercury plus + + + + + + + + + Varian UnityInova instrument + + + + + + + + + Varian 400-MR NMR instrument + + + + + + + + + Varian DDR2 instrument + + + + + + + + + + + + + + + Agilent NMR instrument + + + + + + + + + Agilent 400-MR NMR instrument + + + + + + + + + Varian Mercury 400 + + + + + + + + + Agilent Au 400 (DDR2 Console) + + + + + + + + + Agilent DDR 2 w/ HCN cryoprobe + + + + + + + + + BMRB identifier + + + + + + + + + TM1 + 0<TM1<1 + left trapezoid limit + + + + + + + + + trapezoid window function parameter + + + + + + + + + complex64 Integer + This byte format uses a consecutive array of two 32bit integer numbers to represent the real and imaginary part of the complex values (2x32bits=>2x4bytes=> 2 integers) for the FID datatype. + + + + + + + + + complex128 Integer + This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype. + + + + + + + + + TM2 + 0<TM2<1 + right trapezoid limit + + + + + + + + + 30 degree pulse duration + thirty degree pulse duration + The duration of the excitation pulse needed to rotate the magnetisation vector by 30 degrees. + + + + + + + + + InChi + + + + + + + + + inchikey + + + + + + + + + WLN + Wiswesser Line Notation + + + + + + + + + ROSDAL + + + + + + + + + SLN-Tripos + + + + + + + + + smarts + + + + + + + + + line representation + + + + + + + + + 2D topological molecule representation + + + + + + + + + 2D bond line structure + + + + + + + + + 3D geometrical molecule representation + + + + + + + + + 3D bond line structure + + + + + + + + + CAS number + + + + + + + + + fingerprint model + + + + + + + + + molfile + + + + + + + + + compound similarity measure + + + + + + + + + Tanimoto similarity + + + + + + + + + Gaussian window function parameter + + + + + + + + Not considered relevant anymore. + DEPRECATED 2,2-Dimethyl-2-silapentane-5-sulfonate + true + + + + + + + + + Gaussian maximum position + + + + + + + + + A chemical shift reference compound used for 2H spectra according to IUPAC recommendations. + + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 2H spectra. The children of this class were manually asserted. + 2H spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 2H spectra according to IUPAC recommendations. + + + + + + + + + + ABX2 multiplet pattern + + + + + + + + + DRX 600 instrument + + + + + + + + + plot and graph generation + + + + + + + + + reference deconvolution + vertical alignment of on and offset of the peak of the reference compound. + + + + + + + + + spectral smoothing + the process of removing noisy jitters in a spectral curve to get clearer and more meaningful signals and peaks. + + + + + + + + + NMR database format + + + + + + + + + M. Yokochi, N. Kobayashi, E. L. Ulrich, A. R. Kinjo, T. Iwata, Y. E. Ioannidis, M. Livny, J. L. Markley, H. Nakamura, C. Kojima, T. Fujiwara, “Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins,” Journal of Biomedical Semantics, 5:7:16 (2016) + BMRB/XML file format + + + + + + + + + nD spectrum + + + + + + + + + Terms used to describe types of data processing. + data processing + NMR + NMR:1000452 + NMR data conversion + + + + + Terms used to describe types of data processing. + MSI:NMR + + + + + + + + + tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober + NMR + NMR:1000457 + sample + + + + + tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober + MSI:NMR + + + + + + + + + Description of the instrument or the mass spectrometer. + not needed as OBI has better equivalent + + + instrument configuration + NMR + NMR:1000463 + obsolete_instrument + true + + + + + Description of the instrument or the mass spectrometer. + MSI:NMR + + + + + + + + + Varian instrument model. + NMR + NMR:1000489 + Varian/Agilent instrument model + + + + + Varian instrument model. + MSI:NMR + + + + + + + + + Instrument properties that are associated with a value. + NMR + NMR:1000496 + instrument attribute + + + + + Instrument properties that are associated with a value. + MSI:NMR + + + + + + + + + Describes the data content on the file. + NMR + NMR:1000524 + data file content + + + + + Describes the data content on the file. + MSI:NMR + + + + + + + + + Serial Number of the instrument. + value-type:xsd:string + NMR + NMR:1000529 + instrument serial number + + + + + Serial Number of the instrument. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Conversion of one file format to another. + NMR + NMR:1000530 + file format conversion + + + + + Conversion of one file format to another. + MSI:NMR + + + + + + + + + Software related to the recording or transformation of spectra. + NMR + NMR:1000531 + software + + + + + Software related to the recording or transformation of spectra. + MSI:NMR + + + + + + + + + Object Attribute. + NMR + NMR:1000547 + object attribute + + + + + Object Attribute. + MSI:NMR + + + + + + + + + Sample properties that are associated with a value. + NMR + NMR:1000548 + sample attribute + + + + + Sample properties that are associated with a value. + MSI:NMR + + + + + + + + + Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data. + NMR + NMR:1000561 + data file checksum type + + + + + Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data. + MSI:NMR + + + + + + + + + MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files. + value-type:xsd:string + NMR + NMR:1000568 + MD5 + + + + + MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity. + value-type:xsd:string + NMR + NMR:1000569 + SHA-1 + + + + + SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Describes the type of file and its content. + source file + NMR + NMR:1000577 + NMR raw data file format + + + + + Describes the type of file and its content. + MSI:NMR + + + + + + + + + Details about a person or organization to contact in case of concern or discussion about the file. + NMR + NMR:1000585 + contact attribute + + + + + Details about a person or organization to contact in case of concern or discussion about the file. + MSI:NMR + + + + + + + + + Name of the contact person or organization. + value-type:xsd:string + NMR + NMR:1000586 + contact name + + + + + Name of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Postal address of the contact person or organization. + value-type:xsd:string + NMR + NMR:1000587 + contact address + + + + + Postal address of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Uniform Resource Locator related to the contact person or organization. + value-type:xsd:string + NMR + NMR:1000588 + contact URL + + + + + Uniform Resource Locator related to the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Email address of the contact person or organization. + value-type:xsd:string + NMR + NMR:1000589 + contact email + + + + + Email address of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Home institution of the contact person. + value-type:xsd:string + NMR + NMR:1000590 + contact organization + + + + + Home institution of the contact person. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Data processing parameter used in the data processing performed on the data file. + NMR + NMR:1000630 + data processing parameter + + + + + Data processing parameter used in the data processing performed on the data file. + MSI:NMR + + + + + + + + + The time that a data processing action was finished. + value-type:xsd:date + NMR + NMR:1000747 + data processing completion time + + + + + The time that a data processing action was finished. + MSI:NMR + + + + + value-type:xsd:date + The allowed value-type for this CV term. + + + + + + + + + Describes how the native spectrum identifiers are formated. + nativeID format + NMR + NMR:1000767 + FID format + + + + + Describes how the native spectrum identifiers are formated. + MSI:NMR + + + + + + + + + file=xsd:IDREF. + NMR + NMR:1000773 + The nativeID must be the same as the source file ID. + Bruker FID format + + + + + file=xsd:IDREF. + MSI:NMR + + + + + + + + + A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added. + value-type:xsd:string + NMR + NMR:1000799 + custom unreleased software + + + + + A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Description of the preparation steps which took place before the measurement was performed. + NMR + NMR:1000831 + sample preparation information + + + + + Description of the preparation steps which took place before the measurement was performed. + MSI:NMR + + + + + + + + + A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction. + Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + NMR + NMR:1000859 + obsolete_molecule + true + + + + + A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction. + MSI:NMR + + + + + + + + + A compound of low molecular weight that is composed of two or more amino acids. + Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + NMR + NMR:1000860 + obsolete_peptide + true + + + + + A compound of low molecular weight that is composed of two or more amino acids. + MSI:NMR + + + + + + + + + A describable property of a chemical compound. + NMR + NMR:1000861 + chemical compound attribute + + + + + A describable property of a chemical compound. + MSI:NMR + + + + + + + + + The pH of a solution at which a charged molecule does not migrate in an electric field. + value-type:xsd:float + pI + NMR + NMR:1000862 + isoelectric point + + + + + The pH of a solution at which a charged molecule does not migrate in an electric field. + MSI:NMR + + + + + value-type:xsd:float + The allowed value-type for this CV term. + + + + + + + + + The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm. + value-type:xsd:float + predicted pI + NMR + NMR:1000863 + predicted isoelectric point + + + + + The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm. + MSI:NMR + + + + + value-type:xsd:float + The allowed value-type for this CV term. + + + + + + + + + A combination of symbols used to express the chemical composition of a compound. + NMR + NMR:1000864 + chemical compound formula + + + + + A combination of symbols used to express the chemical composition of a compound. + MSI:NMR + + + + + + + + + A chemical formula which expresses the proportions of the elements present in a substance. + value-type:xsd:string + NMR + NMR:1000865 + empirical formula + + + + + A chemical formula which expresses the proportions of the elements present in a substance. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked. + value-type:xsd:string + NMR + NMR:1000866 + molecular formula + + + + + A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other. + value-type:xsd:string + NMR + NMR:1000867 + structural formula + + + + + A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string. + value-type:xsd:string + NMR + NMR:1000868 + SMILES string + + + + + The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + An identifier/accession number to an external reference database. + NMR + NMR:1000878 + external reference identifier + + + + + An identifier/accession number to an external reference database. + MSI:NMR + + + + + + + + + A unique identifier for a publication in the PubMed database (MIR:00000015). + value-type:xsd:integer + NMR + NMR:1000879 + PubMed identifier + + + + + A unique identifier for a publication in the PubMed database (MIR:00000015). + MSI:NMR + + + + + value-type:xsd:integer + The allowed value-type for this CV term. + + + + + + + + + A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight. + Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + + NMR + NMR:1000881 + Use Chebi entities here. + obsolete_chemical compound + true + + + + + A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight. + MSI:NMR + + + + + + + + + A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein. + Not considered relevant anymore, and if this might change CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15 + + NMR + NMR:1000882 + obsolete_protein + true + + + + + A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein. + MSI:NMR + + + + + + + + + A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN). + value-type:xsd:string + NMR + NMR:1000883 + protein short name + + + + + A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN). + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + An nonphysical attribute describing a specific protein. + NMR + NMR:1000884 + protein attribute + + + + + An nonphysical attribute describing a specific protein. + MSI:NMR + + + + + + + + + Accession number for a specific protein in a database. + value-type:xsd:string + NMR + NMR:1000885 + protein accession + + + + + Accession number for a specific protein in a database. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A long name describing the function of the protein. + value-type:xsd:string + NMR + NMR:1000886 + protein name + + + + + A long name describing the function of the protein. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + An nonphysical attribute that can be used to describe a peptide. + NMR + NMR:1000887 + peptide attribute + + + + + An nonphysical attribute that can be used to describe a peptide. + MSI:NMR + + + + + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present. + value-type:xsd:string + NMR + NMR:1000888 + unmodified peptide sequence + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu). + value-type:xsd:string + NMR + NMR:1000889 + modified peptide sequence + + + + + A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu). + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A state description of how a peptide might be isotopically or isobarically labelled. + NMR + NMR:1000890 + peptide labeling state + + + + + A state description of how a peptide might be isotopically or isobarically labelled. + MSI:NMR + + + + + + + + + A peptide that has been created or labeled with some heavier-than-usual isotopes. + NMR + NMR:1000891 + heavy labeled peptide + + + + + A peptide that has been created or labeled with some heavier-than-usual isotopes. + MSI:NMR + + + + + + + + + A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as "light" to distinguish from "heavy". + light labeled peptide + NMR + NMR:1000892 + unlabeled peptide + + + + + A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as "light" to distinguish from "heavy". + MSI:NMR + + + + + + + + + An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label. + value-type:xsd:string + NMR + NMR:1000893 + peptide group label + + + + + An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence. + NMR + NMR:1000898 + data standard + + + + + Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence. + MSI:NMR + + + + + + + + + A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard. + MS_1000899 + NMR + NMR:1000899 + de facto standard + + + + + A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard. + MSI:NMR + + + + + + + + + A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result. + MS_1000899 + NMR + NMR:1000900 + minimum information standard + + + + + A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result. + MSI:NMR + + + + + + + + + A file that has two or more columns of tabular data where each column is separated by a TAB character. + NMR + NMR:1000914 + tab delimited text file + + + + + A file that has two or more columns of tabular data where each column is separated by a TAB character. + MSI:NMR + + + + + + + + + Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation. + value-type:xsd:string + NMR + NMR:1000933 + protein modification + + + + + Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Name of the gene from which the protein is translated. + value-type:xsd:string + NMR + NMR:1000934 + gene name + + + + + Name of the gene from which the protein is translated. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Type of the source file, the nmrIdentML was created from. + NMR + NMR:1001040 + intermediate analysis format + + + + + Type of the source file, the nmrIdentML was created from. + MSI:MI + + + + + + + + + Source file for this nmrIdentML was a data set in a database. + NMR + NMR:1001107 + data stored in database + retire? Consider: "NMR database format" ? + + + + + Source file for this nmrIdentML was a data set in a database. + MSI:MI + + + + + + + + + NMR + NMR:1001267 + software vendor + + + + + + + + + value-type:xsd:string + NMR + NMR:1001268 + programmer + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + value-type:xsd:string + NMR + NMR:1001269 + instrument vendor + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + value-type:xsd:string + NMR + NMR:1001270 + lab personnel + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + NMR + NMR:1001271 + researcher + + + + + + + + + Analysis software. + NMR + NMR:1001456 + analysis software + + + + + Analysis software. + MSI:NMR + + + + + + + + + Conversion software. + NMR + NMR:1001457 + data processing software + + + + + Conversion software. + MSI:NMR + + + + + + + + + Format of data files. + NMR + NMR:1001459 + data file format + + + + + Format of data files. + MSI:NMR + + + + + + + + + Phone number of the contact person or organization. + value-type:xsd:string + NMR + NMR:1001755 + contact phone number + + + + + Phone number of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Fax number for the contact person or organization. + value-type:xsd:string + NMR + NMR:1001756 + contact fax number + + + + + Fax number for the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Toll-free phone number of the contact person or organization. + value-type:xsd:string + NMR + NMR:1001757 + contact toll-free phone number + + + + + Toll-free phone number of the contact person or organization. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + DOI unique identifier. + value-type:xsd:string + NMR + NMR:1001922 + Digital Object Identifier (DOI) + + + + + DOI unique identifier. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Free text attribute that can enrich the information about an entity. + value-type:xsd:string + NMR + NMR:1001923 + external reference keyword + + + + + Free text attribute that can enrich the information about an entity. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Keyword present in a scientific publication. + value-type:xsd:string + NMR + NMR:1001924 + journal article keyword + + + + + Keyword present in a scientific publication. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Keyword assigned by the data submitter. + value-type:xsd:string + NMR + NMR:1001925 + submitter keyword + + + + + Keyword assigned by the data submitter. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Keyword assigned by a data curator. + value-type:xsd:string + NMR + NMR:1001926 + curator keyword + + + + + Keyword assigned by a data curator. + MSI:MI + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Parameters used in the NMR spectrometry acquisition. + value-type:xsd:string + NMR + NMR:1001954 + NMR acquisition parameter + + + + + Parameters used in the NMR spectrometry acquisition. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A unique identifier for a metabolite in the HMDB database (HMDB00001). + value-type:xsd:integer + NMR + NMR:1002000 + HMDB identifier + + + + + A unique identifier for a metabolite in the HMDB database (HMDB00001). + MSI:NMR + + + + + value-type:xsd:integer + The allowed value-type for this CV term. + + + + + + + + + Chenomx software for data acquisition and analysis. + NMR + NMR:1002001 + Chenomx software + + + + + Chenomx software for data acquisition and analysis. + MSI:NMR + + + + + + + + + Chenomx software for data analysis. + http://www.chenomx.com/software/ + NMR + NMR:1002002 + Chenomx NMR Suite software + + + + + Chenomx software for data analysis. + MSI:NMR + + + + + + + + + file=xsd:IDREF. + NMR + NMR:1002003 + The nativeID must be the same as the source file ID. + Varian FID format + + + + + file=xsd:IDREF. + MSI:NMR + + + + + + + + + The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format. + NMR + NMR:1002004 + NMR spectrometer file format + + + + + The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format. + MSI:NMR + + + + + + + + + Simple text file of peaks. + NMR + NMR:1002005 + text file + + + + + Simple text file of peaks. + MSI:PI + + + + + + + + + Parameter file used to configure the acquisition of raw data on the instrument. + NMR + NMR:1002006 + acquisition parameter file + + + + + Parameter file used to configure the acquisition of raw data on the instrument. + MSI:NMR + + + + + + + + + tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. + def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. + synonym: NMR spectrum + as designated Experiment type on http://www.bmrb.wisc.edu/tools/choose_pulse_info.php + NMR + NMR:1002007 + NMR spectrum + + + + + + + + + Conversion of a file format to Metabolomics Standards Initiative nmrData file format. + NMR + NMR:1002008 + conversion to nmrML + + + + + Conversion of a file format to Metabolomics Standards Initiative nmrData file format. + MSI:NMR + + + + + + + + + Conversion of a file format to JCAMP-DX file format. + NMR + NMR:1002009 + conversion to JCAMP-DX + + + + + Conversion of a file format to JCAMP-DX file format. + MSI:NMR + + + + + + + + + value-type:xsd:string + NMR + NMR:1002010 + NMR solvent information + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + pH. + value-type:xsd:string + NMR + NMR:1002011 + pH + + + + + pH. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM. + https://github.com/nmrML/nmrML/issues/29#issue + value-type:xsd:string + NMR + NMR:1002013 + chemical shift reference + + + + + Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + A bin for a spectrum. + value-type:xsd:string + bucketed spectrum descriptor + NMR + NMR:1002014 + binned spectrum descriptor + + + + + A bin for a spectrum. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Bin label. + value-type:xsd:string + NMR + NMR:1002015 + bin label + + + + + Bin label. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + Bin start. + value-type:xsd:decimal + NMR + NMR:1002016 + bin start + + + + + Bin start. + MSI:NMR + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Bin end. + value-type:xsd:decimal + NMR + NMR:1002017 + bin end + + + + + Bin end. + MSI:NMR + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Bin area. + value-type:xsd:decimal + NMR + NMR:1002018 + bin area + + + + + Bin area. + MSI:NMR + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Name of metabolite. + value-type:xsd:string + NMR + NMR:1002020 + assigned chemical compound name + + + + + Name of metabolite. + MSI:NMR + + + + + value-type:xsd:string + The allowed value-type for this CV term. + + + + + + + + + value-type:xsd:decimal + NMR + NMR:1002021 + assigned chemical compound concentration + + + + + value-type:xsd:decimal + The allowed value-type for this CV term. + + + + + + + + + Hilbert transformation based scaling + + + + + + + + + + + + + + + + + This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact. + + def: Part of an NMR instrument which is not cardinally important and hence optional / facultative for the proper intended function of the instrument. + synonym: optional part of NMR instrument + clsdel: ontologically there is no such universal which characteristic is a possible (!) state of being a part of something... + optional part of NMR instrument + TODO: Discuss "obligatory_part_of". + + + + + + + + + + def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. + altdef: The autosampler is an automatic sample changer. + NMR autosampler + + + + + + + + + http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm + multiplicity + multiplicity feature + + + + + + + + + tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. + defprov: Daniel Schober + projected spectrum + + + + + + + + + binned spectrum + def: A post-processed NMR spectrum in which the y-values of the datapoints have been summed based on periodic ranges of the x-axis values. + bucketed spectrum + TODO: has spectral post processing parameter + + + + + + + + + defneed + peak-picked spectrum + TODO: has spectral post processing parameter. + + + + + + + + + + + + + + + + + + + + + + + + + + This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact. + + def: A part of an NMR instrument which is cardinally important and hence obligatory and compulsatory for the proper intended function of the instrument. + synonym: cardinal part of NMR instrument + cardinal part of NMR instrument + + + + + + + + + + + def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers. + NMR acquisition computer + + + + + + + + + + + def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. + altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample. + NMR probe + + + + + + + + + + def: A component of an NMR instrument that controls the activities of the other components. + NMR console + TODO: same as or part of acquisition computer? + + + + + + + + + tempdef: The number of data points in a data set. + number of acquisition data points + + + + + + + + + def: A frequency used during Hadamard encoding. + hadamard frequency + + + + + + + + + def: The axis onto which the spectrum was projected. + projection axis + + + + + + + + + 90 degree pulse duration + ninety degree pulse duration + The duration of the excitation pulse needed to rotate the magnetisation vector by 90 degrees. + + + + + + + + + def: A digital sampling interval. + alsprcls: time interval + dwell time + + + + + + + + + def: The temperature of an item of analysis material whilst in an autosampler. + sample temperature in autosampler + + + + + + + + + def: The temperature of an NMR sample whilst in the magnet of an NMR instrument. + sample temperature in magnet + + + + + + + + + def: The frequency of the RF radiation used to irradiate an NMR sample. + irradiation frequency + + + + + + + + + def: The intensity of an electric, magnetic, or other field. + field strength + + + + + + + + + def: The rate at which an item of analysis material is spun. + spinning rate + + + + + + + + + def: An indication of whether the nucleus being studied is the acquitsition nucleus. + decoupled nucleus flag + + + + + + + + + def: A compound added to a sample to alter its pH value. + buffer information + + + + + + + + + + + + + + + + + + + + + + + + + + A molecular entity that has a calibration compound role in nuclear magnetic resonance (NMR) spectroscopy. + + calibration compound + + + + + + + + + + + + + + + + + + + + + + + + + + A chemical shift calibration compound that has a chemical shift reference compound role in nuclear magnetic resonance (NMR) spectroscopy. + + http://www.nmrnotes.org/NMRPages/refcomps.html + https://github.com/nmrML/nmrML/issues/31 + https://github.com/nmrML/nmrML/issues/33 + chemical shift reference compound + + + + + + + + + def: The compound that produced a peak that is measured to assess the quality of a data set. + quality check compound signal + + + + + + + + + http://www.bmrb.wisc.edu/tools/choose_pulse_info.php + https://github.com/nmrML/nmrML/issues/40 + def: A sequence of excitation pulses. + NMR pulse sequence + May later import from + +http://purl.obolibrary.org/obo/CHMO_0001841 + See also http://www.jcamp-dx.org/protocols/NMR%20Pulse%20Sequences%20PAC%2079(11)%20pp1748-1764%202001.pdf + + + + + + + + + nmr-spectrum data processing + post-FT data processing + def: Automatic or manual procedures performed upon pre-processed NMR data sets that aim to summarise them or annotate them with speculative values. + frequency domain data processing + + + + + + + + + pre-FT data processing + def: The post acquisition process of producing or refining a spectrum from raw data. + defprov: Daniel Schober + time domain data processing + + + + + + + + + def: A data transformation that converts an NMR input data set into an output data set in a tracable and useful manner. + NMR data processing + + + + + + + + + tempdef: A non FT based method for converting from the time to the frequency domain. + non-fourier FID transformation + TODO:Exclusion guided definition. + + + + + + + + + https://github.com/nmrML/nmrML/issues/37 + tempdef: A data processing which alteres a data file for a specific purpose. + defprov: Daniel Schober + data encoding + + + + + + + + + tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. + defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf + synonym: GFT-projection + G matrix fourier transform projection + + + + + + + + + defneed + synonym: TPPI + time proportional phase incrementation + + + + + + + + + def: A method for quadrature detection. + synonym: S-TPPI + states-time proportional phase incrementation + + + + + + + + + defneed + Hadamard encoding + + + + + + + + + http://www.magnet.fsu.edu/library/publications/NHMFL_Publication-6859.pdf + defneed + Frydman encoding + + + + + + + + + defneed + echo anti-echo coherence selection + + + + + + + + + + def: An Instrument which is used to carry out a NMR analysis of some sample. + synonym: NMR instrument + NMR instrument + + + + + + + + + def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. + altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. + synonym: NMR instrument acquisition parameter set + NMR instrument acquisition parameter set + + + + + + + + + method + defneed + data transformation + altspcls: process ??? + + + + + + + + + Philippe Rocca Serra + http://pubs.acs.org/doi/pdf/10.1021/ac0519312 + +10.1021/ac0519312 + +Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets + +Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * +Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K. + http://stats.stackexchange.com/questions/35591/normalization-vs-scaling + normalisation + normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. +This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples. + + + + + + + + + tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. + defprov: Daniel Schober + pre-acquisition water suppression + + + + + + + + + A function applied to a FID to increase the signal-to-noise ratio or the resolution. + http://www.uwyo.edu/wheelernmr/nmr/window_functions.pdf + https://github.com/nmrML/nmrML/issues/39 + https://github.com/nmrML/nmrML/issues/67 + apodization function + window function for apodization + + + + + + + + + The exponential function used to multiply a FID by to produce a desitred amount of line broadening. + exponential apodization + Functional form: + em(x_i) = exp(-pi*i*lb) + Parameters: + * data Array of spectral data. + * lp Exponential line broadening. + * inv Set True for inverse apodization. + exponential multiplication window function + + + + + + + + + gaussian broadening + defneed + Gaussian window function + + + + + + + + + sine + sine bell window function + defneed + sine window function + + + + + + + + + QSINE + defneed + sine squared window + + + + + + + + + def: A method for eliminating or reducing the noise in a spectrum. + spectral denoising + + + + + + + + + def: A method of flattening the baseline of a spectrum. + baseline correction + + + + + + + + + A method of spectral projection. + spectral projection + + + + + + + + + defneed + maximum intensity projection + + + + + + + + + def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. + altdef: The adding of spectra together to produce a composite avergaed spectrum. + summation projection + + + + + + + + + def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. + altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width. + zero order phase correction + + + + + + + + + defneed + first order phase correction + + + + + + + + + defneed + symmetrisation + + + + + + + + + def: The nucleus of an element or isotope that is being studied during an NMR analysis. Common NMR requirements include direct 1D and 2D proton-only NMR, direct observation of 13C NMR with 1H decoupling, direct observation of other nuclei such as 19F, 31P, 29Si, 31P, 27Al, and 15N (with or without 1H decoupling), triple resonance NMR (especially inverse triple resonance such as 1H observe, 13C and 15N decouple), and inverse 2D and 3D experiments such as HMQC and HMBC. + acquisition nucleus + + + + + + + + + def: A feature of a peak that is measured to assess the quality of a data set. + quality check peak feature + + + + + + + + + def: The number of repeat scans performed and summed to create the data set for an NMR sample. + number of scans + + + + + + + + + def: The number of scans whose data is not summed to create the data set for an NMR sample, but that are carried out to establish the steady-state of relaxation for the nuclei. + number of steady state scans + + + + + + + + + def: A scheme for producing a numerical representation of the environment of an atom. + atom environment encoding + + + + + + + + + def: The delay between repeat scans to allow nuclei to relax back to their steady state. + relaxation delay + + + + + + + + + def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum). + x-axis unit + + + + + + + + + defneed + y-axis unit + + + + + + + + + def: The unit of measurement of the second dimension of a 2D NMR dataset. + additional axis unit + + + + + + + + + def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The initial time or frequency a FID or spectrum is recorded from. + x start value + + + + + + + + + tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + x end value + + + + + + + + + def: A parameter to a window function. + window function parameter + + + + + + + + + Philippe Rocca-Serra + http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin + defneed + line broadening + line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. +When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. +The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. +Line broadening may be caused by: +Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities. + + + + + + + + + Philippe Rocca-Serra + http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin + defneed + line sharpening + line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. +Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering. + + + + + + + + + defneed + parameter + + + + + + + + + def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. + synonym: NMR spectral projection parameter set + NMR spectral projection parameter set + + + + + + + + + def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. + synonym: NMR spectrum post-processing parameter set + NMR data post-processing parameter set + TODO: altsprcls: process, not clear wether set is plural (list) or process. + + + + + + + + + tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis + synonym: NMR quality check parameter set + NMR quality check parameter set + + + + + + + + + excitation sculpting + tempdef: A data processing technique used to suppress the water peak in a spectrum in order to get clearer results. + defprov: Daniel Schober + post-acquisition water suppression + + + + + + + + + def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. + synonym: HSVD + hankel singular value decomposition + + + + + + + + + defneed + convolution + + + + + + + + + defneed + polynomial fitting + + + + + + + + + def: A computational method that archieves water suppression via wavlet multi resolution analysis. + WaveWat + + + + + + + + + defneed + synonym: NMR data pre-processing parameter set + NMR data pre-processing parameter set + + + + + + + + + def: The process of ensuring the quality of the raw data that results from an NMR analysis. + synonym: NMR quality check + NMR quality check + + + + + + + + + def: A reference is a label which refers to data elsewhere, as opposed to containing the data itself. Accessing the value that a reference refers to is called dereferencing it. References are fundamental in constructing many data structures and in exchanging information between different parts of programs and databases. + reference + + + + + + + + + FID file reference + def: A reference to a file containing the raw FID. + synonym: FID file reference + FID file + + + + + + + + + def: A reference to a description of a pulse sequence in the literature. + pulse sequence literature reference + + + + + + + + + def: A reference to a file containing a specfication of the shape of an excitation pulse. + shaped pulse file + + + + + + + + + def: A reference to a file containing a specification of a pulse sequence. + pulse sequence file + + + + + + + + + def: A reference to a file of data pre-processing parameters produced by the machine. + processing parameter file + + + + + + + + + PRS: rename 'reference' to 'identifier' + def: A reference to information on the provenance of the NMR sample. + synonym: NMR sample reference + NMR sample identifier + + + + + + + + + def: A result of an NMR quality check. + synonym: NMR quality check result + NMR quality check descriptor + + + + + + + + + A sample that has been prepared for chemical analysis by NMR. + NMR sample + + + + + + + + + tempdef: A sample introduction parameter is a parameter that describes the particular method of introducing the sample under investigation into the NMR instrument. + sample introduction parameter + + + + + + + + + defneed + synonym: MAS rotor + magic angle spinning rotor + + + + + + + + + defneed + flow probe + + + + + + + + + + The sample-tube holds the NMR sample and sits in the NMR probe. It is usually a glass tube of 5-20mm diameter. + + http://en.wikipedia.org/wiki/NMR_tube + https://github.com/nmrML/nmrML/issues/54 + sample tube + sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID + NMR sample tube + + + + + + + + + def: A software artifact used during data pre-processing. + spectrum pre-processing software + + + + + + + + + def: A software artifact used during spectral post-processing. + spectrum post-processing software + + + + + + + + + defneed + peak picking + + + + + + + + + binning + def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. + altdef: A type of automated integration which occurs across pre-defined regions for a spectrum. + for bucket parameters see 'binned spectrum descriptor' + bucketing + + + + + + + + + presaturation of the solvent resonance + defneed + synonym: presaturation + presat pulse sequence + + + + + + + + + tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. + defprov: Daniel Schober + synonym: WET + water suppression enhanced through T1 effects + WET + + + + + + + + + NOESY presat + tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. + defprov: Daniel Schober + synonym: NOESY-presat + nuclear overhauser and exchange spectroscopy-presat + + + + + + + + + defneed + watergate + + + + + + + + + tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not "refocused" by the refocus gradient (therefore, is not selected). + defprov: Daniel Schober + coherence pathway rejection + + + + + + + + + defneed + flip-back watergate + + + + + + + + + tempdef: A jump and return pulse sequence method is a water suppression method that uses a defined pulse sequence to make fast exchanging protons visible. + jump and return pulse sequence + + + + + + + + + tempdef: A jump and return 1-1 pulse sequence method is a jump and return method that uses one 90 degree pulse and one 90 degree return puls to make fast exchanging protons visible, first described by Plateau,P. and Gueron,M. (1982) J. Am. Chem. Soc., 104, 7310–7311. Compared to the 1-3-3-1 method it has a lower receiver gain and the dispersive tail of water interferes with the signals of interest. + jump and return 1-1 + + + + + + + + + tempdef:A jump and return 1-3-3-1 pulse sequence method is a jump and return method that uses a 1-3-3-1 pulse sequence to make fast exchanging protons visible. Compared to the 1-1 method it has better water suppression (higher receiver gain) capabilities, but with offset-dependent phase distortion (unsuitable for 2D). + jump and return 1-3-3-1 + + + + + + + + + defneed + synonym: 1D spectrum + 1D spectrum + + + + + + + + + defneed + synonym: 2D spectrum + 2D spectrum + + + + + + + + + defneed + synonym: 1D NMR acquisition parameter set + 1D NMR acquisition parameter set + + + + + + + + + defneed + synonym: 2D NMR acquisition parameter set + 2D NMR acquisition parameter set + + + + + + + + + tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. + defprov: Daniel Schober + synonym: 1D CPMG + carr purcell meiboom gill pulse sequence + CPMG + + + + + + + + + TCOSY pulse sequence + tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. + defprov: Daniel Schober + synonym:2D TOCSY pulse sequence + total correlation spectroscopy pulse sequence + + + + + + + + + def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). + synonym: 1D + 1D pulse sequence + + + + + + + + + tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. + defprov: Daniel Schober + synonym: 2D J-resolved + J-resolved pulse sequence + + + + + + + + + defneed + synonym: 2D hadamard TOCSY + hadamard total correlation spectroscopy pulse sequence + + + + + + + + + defneed + synonym: 1D diffusion edited + diffusion edited pulse sequence + + + + + + + + + + def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. + altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss. + NMR magnet + + + + + + + + + + + + + + + defneed + Bruker NMR magnet + + + + + + + + + defneed + UltraShield + + + + + + + + + Ultrastabilized + + + + + + + + + US 2 + ??? How to model "hoch 2"? + + + + + + + + + UltraShield Plus + + + + + + + + + + def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: + Significant S/N gains (with moderately salty samples also) + Short pulse widths + Short ring down times + Linear behavior in power response + Gradient capability + CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher + All high resolution probes have a lock circuit + All high resolution probes have Z-gradient + defprov: Bruker website + Bruker CryoProbe + + + + + + + + + def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. + defprov: Bruker website + altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. + synonyms: High resolution MAS, hr-MAS + high resolution magic angle spin probe + + + + + + + + + def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. + defprov: Bruker website + synonym: solid MAS probe + solid magic angle spinning probe + + + + + + + + + def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: + up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) + excellent solvent suppression properties + virtually no salt effect + discrete samples in tubes that can be sealed and stored + automation accessory for sample preparation and handling available + defprov: Bruker website + 1mm MicroProbe + + + + + + + + + def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. + defprov: Bruker website + synonym: flow HR-probe + flow high resolution probe + + + + + + + + + defneed + NMR instrument parameter set + + + + + + + + + defneed + AVANCE II spectrometer + TODO: May need no definition + + + + + + + + + + + + + + + defneed + Bruker NMR instrument + https://www.bruker.com/de/products/mr/nmr.html + + + + + + + + + For metabolism studies, and analysis of complex mixtures. + Metabolic Profiler instrument + + + + + + + + + NMR Instruments using hyphenated analytical techniques combining mass spectrometry and chromatograph. + Hyphenated NMR instrument + + + + + + + + + Capillary LC-NMR + + + + + + + + + def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. + defprov: Bruker website + NMR Case + + + + + + + + + + defneed + NMR tube washing system + + + + + + + + + + + + + + + def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. + defprov: Bruker website + Bruker AutoClean + + + + + + + + + def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. + defprov: Bruker website + synonym: Bruker Efficient Sample Transfer NMR + Bruker BEST NMR + + + + + + + + + def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. + The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back + defprov: website + SampleRail + + + + + + + + + def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. + The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. + defprov: Bruker website + SampleJet + + + + + + + + + + + + + + + defneed + Bruker autosampler + + + + + + + + + def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. + defprov: Bruker website + B-ACS + + + + + + + + + + + + + + + def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. + The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. + defprov: Bruker website + synonym: Bruker Multiple Adjustable Tube Clamp Holder + Bruker MATCH + + + + + + + + + + def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample. + NMR sample holder + + + + + + + + + defneed + NMR software + + + + + + + + + defneed + Bruker NMR software + TODO: May need no definition. + + + + + + + + + Bruker TopSpin software + + + + + + + + + SampleTrack software + + + + + + + + + Paravision software + + + + + + + + + AURELIA software + + + + + + + + + AUREMOL software + + + + + + + + + AMIX VIEWER & AMIX-TOOLS + + + + + + + + + def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. + defprov: Bruker website + synonym: HR Probe + high resolution probe + + + + + + + + + def: The ATM option for AVANCE spectrometers is available for: + Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. + defprov: Bruker website + synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM + high resolution probe with ATM + + + + + + + + + defneed + micro imaging probe + + + + + + + + + + + + + + + JEOL NMR instrument + + + + + + + + + JNM-ECX Series FT NMR instrument + The JNM-ECX series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials. + + + + + + + + + JNM-ECA Series FT NMR instrument + The JNM-ECA series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials. + + + + + + + + + JEOL NMR software + + + + + + + + + Delta NMR software + + + + + + + + + + + + + + + https://www.bruker.com/products/mr/nmr/probes/probes.html + Bruker NMR probe + + + + + + + + + + + + + + + defneed + JEOL NMR probe + + + + + + + + + CapNMR probe + + + + + + + + + + + + + + + Varian NMR instrument + + + + + + + + + Varian MERCURY + + + + + + + + + Varian INOVA + + + + + + + + + Varian UNITY + + + + + + + + + Varian VXR + + + + + + + + + Varian GEMINI + + + + + + + + + AMX instrument + + + + + + + + + AC instrument + + + + + + + + + liquid NMR probe + + + + + + + + + defneed + solid NMR probe + + + + + + + + + defneed + NMR imaging probe + + + + + + + + + + + + + + + tecmag console + + + + + + + + + def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network + defprov: tecmag website + DISCOVERY console + + + + + + + + + def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. + defprov: website + tecmag EAGLE probe + + + + + + + + + defneed + APOLLO console + + + + + + + + + + + + + + + tecmag NMR instrument + + + + + + + + + CAT + + + + + + + + + defneed + magnetic field strength + + + + + + + + + defneed + vendor + TODO: Belongs in Ref Ontol. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + A manufacturer that produces NMR instruments and/or their parts + + NMR device manufacturer + + + + + + + + + def: In some cases, it is necessary or advisable to control the temperature of the sample at some value other than ambient. The sample may be only slightly solubility at room temperatures, or it may be desirable to control some aspect of the dynamics of the system. In such cases, a default temperature, or some means of selecting this parameter, can be built into the experiment. + sample temperature information + + + + + + + + + data file + file + Any data file as generated by some acquisition computer or console. + This is a class annotation exemplifying skos usage. We assume the rdfs:label to capture the skos:preferedLabel. + an FID raw data file + In the NMR case a file generated by an NMR acquisition computer, console or NMR processing software. + + + + + + + + + LC NMR + liquid chromatography NMR instrument + + + + + + + + + Includes the connection to a high-resolution TOF-LC-MS system. + LC MS NMR instrument + + + + + + + + + SPE NMR + A Solid Phase Extraction (SPE) system provides an interface between liquid chromatography (LC) and NMR. For the process of LC-SPE™ NMR a chromatographic separation is done and the peaks of interest are trapped on an individual SPE cartridge after the column. The peak selection is done either by UV detection or by evaluation of the on-line registered MS or MSn spectra. + solid phase extraction NMR instrument + + + + + + + + + Capillary LC-NMR is a hyphenated technique coupling capillary liquid chromatography and NMR, which increases sensitivity dramatically through the use of miniaturization of the chromatographic techniques and NMR detection volume. + Capillary LC-NMR instrument + + + + + + + + + direct detection probe + + + + + + + + + indirect detection probe + + + + + + + + + Continuous wave NMR spectrometers are similar in principle to optical spectrometers. The sample is held in a strong magnetic field, and the frequency of the source is slowly scanned (in some instruments, the source frequency is held constant, and the field is scanned). + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm + continuous wave NMR instrument + + + + + + + + + In FT-NMR, all frequencies in a spectrum are irradiated simultaneously with a radio frequency pulse. Following the pulse, the nuclei return to thermal equilibrium. A time domain emission signal is recorded by the instrument as the nuclei relax. A frequency domain spectrum is obtained by Fourier transformation. + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm + fourier transformation NMR instrument + + + + + + + + + NMR software data format + + + + + + + + + ChemMagnetics format + + + + + + + + + GE Omega format + + + + + + + + + JEOL Lambda format + + + + + + + + + JEOL Alpha format + + + + + + + + + Jeol Delta format + + + + + + + + + JEOL generic format + + + + + + + + + JEOL AL95 format + + + + + + + + + JEOL EX format + + + + + + + + + TecMag format + + + + + + + + + Varian VNMR format + + + + + + + + + Galactic format + + + + + + + + + Felix format + + + + + + + + + JCAMP DX format + + + + + + + + + Lybrics format + + + + + + + + + Nuts format + + + + + + + + + MACNMR format + + + + + + + + + Nicolet GE/QE-300 format + + + + + + + + + m + J-coupler + multiplet feature + + + + + + + + + Net CDF format + + + + + + + + + Bruker DISNMR format + + + + + + + + + Bruker UXNMR/XWIN-NMR format + + + + + + + + + Bruker WIN NMR format + + + + + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + + + + + + + + + entity + Entity + Julius Caesar + Verdi’s Requiem + the Second World War + your body mass index + BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 + Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf + An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) + + entity + + + + + Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf + + per discussion with Barry Smith + + + + + + An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) + + + + + + + + + + + + + + + + + continuant + Continuant + BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 + Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants + A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) + if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) + if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) + if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) + (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] + (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] + (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] + (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] + + continuant + + + + + Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants + + + + + + A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) + + + + + + if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) + + + + + + if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) + + + + + + if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) + + + + + + (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] + + + + + + (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] + + + + + + (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] + + + + + + (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] + + + + + + + + + + + + + + + + occurrent + Occurrent + BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region + BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. + Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. + Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. + An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) + Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) + b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) + (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] + (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] + + occurrent + + + + + Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. + + per discussion with Barry Smith + + + + + Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. + + + + + + An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) + + + + + + Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) + + + + + + b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) + + + + + + (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] + + + + + + (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] + + + + + + + + + + + + ic + IndependentContinuant + a chair + a heart + a leg + a molecule + a spatial region + an atom + an orchestra. + an organism + the bottom right portion of a human torso + the interior of your mouth + b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) + For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) + For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) + (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] + (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] + (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] + + independent continuant + + + + + b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) + + + + + + For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) + + + + + + For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) + + + + + + (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] + + + + + + (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] + + + + + + (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] + + + + + + + + + + + + s-region + SpatialRegion + BFO 2 Reference: Spatial regions do not participate in processes. + Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. + A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) + All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) + (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] + (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] + + spatial region + + + + + Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. + + per discussion with Barry Smith + + + + + A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) + + + + + + All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) + + + + + + (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] + + + + + + (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] + + + + + + + + + + + + + t-region + TemporalRegion + Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional + A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) + All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) + Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) + (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] + (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] + (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] + + temporal region + + + + + Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional + + per discussion with Barry Smith + + + + + A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) + + + + + + All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) + + + + + + Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) + + + + + + (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] + + + + + + (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] + + + + + + (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] + + + + + + + + + + + 2d-s-region + TwoDimensionalSpatialRegion + an infinitely thin plane in space. + the surface of a sphere-shaped part of space + A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) + (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] + + two-dimensional spatial region + + + + + A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) + + + + + + (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] + + + + + + + + + + st-region + SpatiotemporalRegion + the spatiotemporal region occupied by a human life + the spatiotemporal region occupied by a process of cellular meiosis. + the spatiotemporal region occupied by the development of a cancer tumor + A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) + All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) + Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) + Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) + Every spatiotemporal region occupies_spatiotemporal_region itself. + Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) + (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] + (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] + (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] + (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] + (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] + + spatiotemporal region + + + + + A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) + + + + + + All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) + + + + + + Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) + + + + + + Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) + + + + + + Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) + + + + + + (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] + + + + + + (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] + + + + + + (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] + + + + + + (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] + + + + + + (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] + + + + + + + + + + process + Process + a process of cell-division, \ a beating of the heart + a process of meiosis + a process of sleeping + the course of a disease + the flight of a bird + the life of an organism + your process of aging. + p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) + BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) + (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] + + process + + + + + p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) + + + + + + (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] + + + + + + + + + + + disposition + Disposition + an atom of element X has the disposition to decay to an atom of element Y + certain people have a predisposition to colon cancer + children are innately disposed to categorize objects in certain ways. + the cell wall is disposed to filter chemicals in endocytosis and exocytosis + BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. + b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) + If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) + (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] + (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] + + disposition + + + + + b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) + + + + + + If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) + + + + + + (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] + + + + + + (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] + + + + + + + + + + + realizable + RealizableEntity + the disposition of this piece of metal to conduct electricity. + the disposition of your blood to coagulate + the function of your reproductive organs + the role of being a doctor + the role of this boundary to delineate where Utah and Colorado meet + To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) + All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) + (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] + (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] + + realizable entity + + + + + To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) + + + + + + All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) + + + + + + (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] + + + + + + (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] + + + + + + + + + + + 0d-s-region + ZeroDimensionalSpatialRegion + A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) + (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] + + zero-dimensional spatial region + + + + + A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) + + + + + + (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] + + + + + + + + + + quality + Quality + the ambient temperature of this portion of air + the color of a tomato + the length of the circumference of your waist + the mass of this piece of gold. + the shape of your nose + the shape of your nostril + a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) + If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) + (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] + (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] + + quality + + + + + a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) + + + + + + If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) + + + + + + (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] + + + + + + (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] + + + + + + + + + + + sdc + SpecificallyDependentContinuant + Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key + of one-sided specifically dependent continuants: the mass of this tomato + of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. + the disposition of this fish to decay + the function of this heart: to pump blood + the mutual dependence of proton donors and acceptors in chemical reactions [79 + the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction + the pink color of a medium rare piece of grilled filet mignon at its center + the role of being a doctor + the shape of this hole. + the smell of this portion of mozzarella + b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) + Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. + (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] + + specifically dependent continuant + + + + + b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) + + + + + + Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. + + per discussion with Barry Smith + + + + + (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] + + + + + + + + + + role + Role + John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. + the priest role + the role of a boundary to demarcate two neighboring administrative territories + the role of a building in serving as a military target + the role of a stone in marking a property boundary + the role of subject in a clinical trial + the student role + BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. + b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) + (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] + + role + + + + + b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) + + + + + + (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] + + + + + + + + + + fiat-object-part + FiatObjectPart + or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 + the FMA:regional parts of an intact human body. + the Western hemisphere of the Earth + the division of the brain into regions + the division of the planet into hemispheres + the dorsal and ventral surfaces of the body + the upper and lower lobes of the left lung + BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions + b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) + (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] + + fiat object part + + + + + b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) + + + + + + (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] + + + + + + + + + + + 1d-s-region + OneDimensionalSpatialRegion + an edge of a cube-shaped portion of space. + A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) + (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] + + one-dimensional spatial region + + + + + A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) + + + + + + (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] + + + + + + + + + + object-aggregate + ObjectAggregate + a collection of cells in a blood biobank. + a swarm of bees is an aggregate of members who are linked together through natural bonds + a symphony orchestra + an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) + defined by fiat: the aggregate of members of an organization + defined through physical attachment: the aggregate of atoms in a lump of granite + defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container + defined via attributive delimitations such as: the patients in this hospital + the aggregate of bearings in a constant velocity axle joint + the aggregate of blood cells in your body + the nitrogen atoms in the atmosphere + the restaurants in Palo Alto + your collection of Meissen ceramic plates. + An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects + BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). + ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. + b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) + (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] + + object aggregate + + + + + An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects + + + + + + An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects + + + + + + ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. + + + + + + b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) + + + + + + (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] + + + + + + + + + + 3d-s-region + ThreeDimensionalSpatialRegion + a cube-shaped region of space + a sphere-shaped region of space, + A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) + (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] + + three-dimensional spatial region + + + + + A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) + + + + + + (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] + + + + + + + + + + site + Site + Manhattan Canyon) + a hole in the interior of a portion of cheese + a rabbit hole + an air traffic control region defined in the airspace above an airport + the Grand Canyon + the Piazza San Marco + the cockpit of an aircraft + the hold of a ship + the interior of a kangaroo pouch + the interior of the trunk of your car + the interior of your bedroom + the interior of your office + the interior of your refrigerator + the lumen of your gut + your left nostril (a fiat part – the opening – of your left nasal cavity) + b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) + (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] + + site + + + + + b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) + + + + + + (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] + + + + + + + + + + object + Object + atom + cell + cells and organisms + engineered artifacts + grain of sand + molecule + organelle + organism + planet + solid portions of matter + star + BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. + BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). + BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 + BFO 2 Reference: an object is a maximal causally unified material entity + BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 + b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) + + object + + + + + b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) + + + + + + + + + + gdc + GenericallyDependentContinuant + The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. + the pdf file on your laptop, the pdf file that is a copy thereof on my laptop + the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. + b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) + (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] + + generically dependent continuant + + + + + b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) + + + + + + (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] + + + + + + + + + + function + Function + the function of a hammer to drive in nails + the function of a heart pacemaker to regulate the beating of a heart through electricity + the function of amylase in saliva to break down starch into sugar + BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. + A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) + (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] + + function + + + + + A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) + + + + + + (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] + + + + + + + + + + p-boundary + ProcessBoundary + the boundary between the 2nd and 3rd year of your life. + p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) + Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) + (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] + (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] + + process boundary + + + + + p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) + + + + + + Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) + + + + + + (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] + + + + + + (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] + + + + + + + + + + + 1d-t-region + OneDimensionalTemporalRegion + the temporal region during which a process occurs. + BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). + A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) + (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] + + one-dimensional temporal region + + + + + A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) + + + + + + (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] + + + + + + + + + + + material + MaterialEntity + a flame + a forest fire + a human being + a hurricane + a photon + a puff of smoke + a sea wave + a tornado + an aggregate of human beings. + an energy wave + an epidemic + the undetached arm of a human being + BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 + BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. + BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. + A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) + Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) + every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) + (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] + + material entity + + + + + A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) + + + + + + Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) + + + + + + every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) + + + + + + (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] + + + + + + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] + + + + + + (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] + + + + + + + + + + cf-boundary + ContinuantFiatBoundary + b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) + BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions. + BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29 + Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. + Every continuant fiat boundary is located at some spatial region at every time at which it exists + (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] + + continuant fiat boundary + + + + + b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) + + + + + + Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. + + + + + + (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] + + + + + + + + + + immaterial + ImmaterialEntity + BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 + + immaterial entity + + + + + + + + + + + 1d-cf-boundary + OneDimensionalContinuantFiatBoundary + The Equator + all geopolitical boundaries + all lines of latitude and longitude + the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin. + the median sulcus of your tongue + a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) + (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] + + one-dimensional continuant fiat boundary + + + + + a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) + + + + + + (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] + + + + + + + + + + + process-profile + ProcessProfile + On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels + One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance. + The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on. + b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) + b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) + (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] + (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] + + process profile + + + + + b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) + + + + + + b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) + + + + + + (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] + + + + + + (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] + + + + + + + + + + r-quality + RelationalQuality + John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. + a marriage bond, an instance of requited love, an obligation between one person and another. + b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) + (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] + + relational quality + + + + + b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) + + + + + + (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] + + + + + + + + + + 2d-cf-boundary + TwoDimensionalContinuantFiatBoundary + a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) + (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] + + two-dimensional continuant fiat boundary + + + + + a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) + + + + + + (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] + + + + + + + + + + 0d-cf-boundary + ZeroDimensionalContinuantFiatBoundary + the geographic North Pole + the point of origin of some spatial coordinate system. + the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet + zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. + a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) + (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] + + zero-dimensional continuant fiat boundary + + + + + zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. + + requested by Melanie Courtot + + + + + + a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) + + + + + + (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] + + + + + + + + + + 0d-t-region + ZeroDimensionalTemporalRegion + a temporal region that is occupied by a process boundary + right now + the moment at which a child is born + the moment at which a finger is detached in an industrial accident + the moment of death. + temporal instant. + A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) + (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] + + zero-dimensional temporal region + + + + + A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) + + + + + + (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] + + + + + + + + + + history + History + A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) + + history + + + + + A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) + + + + + + + + + + Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s). + chebi_ontology + isotopically modified compounds + CHEBI:139358 + + isotopically modified compound + + + + + isotopically modified compounds + ChEBI + + + + + + + + + + A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy. + 0 + CD4O + InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D + OKKJLVBELUTLKV-MZCSYVLQSA-N + 36.066 + 36.05132 + [2H]OC([2H])([2H])[2H] + CAS:811-98-3 + PMID:19680377 + PMID:22819978 + PMID:28219117 + PMID:31837670 + Reaxys:1733278 + Wikipedia:Deuterated_methanol + ((2)H3)methan((2)H)ol + chebi_ontology + ((2)H4)methanol + CD3OD + methan-d3-ol-d + methyl alcohol-d4 + methyl-d3 alcohol d + tetradeuteromethanol + trideuterio deuteriooxy methane + CHEBI:156265 + + methanol-d4 + + + + + + true + + + + + CAS:811-98-3 + ChemIDplus + + + + + CAS:811-98-3 + NIST Chemistry WebBook + + + + + PMID:19680377 + Europe PMC + + + + + PMID:22819978 + Europe PMC + + + + + PMID:28219117 + Europe PMC + + + + + PMID:31837670 + Europe PMC + + + + + Reaxys:1733278 + Reaxys + + + + + ((2)H3)methan((2)H)ol + IUPAC + + + + + + ((2)H4)methanol + ChemIDplus + + + + + CD3OD + ChEBI + + + + + methan-d3-ol-d + ChemIDplus + + + + + methyl alcohol-d4 + ChEBI + + + + + methyl-d3 alcohol d + ChEBI + + + + + tetradeuteromethanol + NIST_Chemistry_WebBook + + + + + trideuterio deuteriooxy methane + ChEBI + + + + + + + + + + + + An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. + 0 + H3N + InChI=1S/H3N/h1H3 + QGZKDVFQNNGYKY-UHFFFAOYSA-N + 17.03056 + 17.02655 + [H]N([H])[H] + CHEBI:13405 + CHEBI:13406 + CHEBI:13407 + CHEBI:13771 + CHEBI:22533 + CHEBI:44269 + CHEBI:44284 + CHEBI:44404 + CHEBI:7434 + CAS:7664-41-7 + Drug_Central:4625 + Gmelin:79 + HMDB:HMDB0000051 + KEGG:C00014 + KEGG:D02916 + KNApSAcK:C00007267 + MetaCyc:AMMONIA + MolBase:930 + PDBeChem:NH3 + PMID:110589 + PMID:11139349 + PMID:11540049 + PMID:11746427 + PMID:11783653 + PMID:13753780 + PMID:14663195 + PMID:15092448 + PMID:15094021 + PMID:15554424 + PMID:15969015 + PMID:16008360 + PMID:16050680 + PMID:16348008 + PMID:16349403 + PMID:16614889 + PMID:16664306 + PMID:16842901 + PMID:17025297 + PMID:17439666 + PMID:17569513 + PMID:17737668 + PMID:18670398 + PMID:22002069 + PMID:22081570 + PMID:22088435 + PMID:22100291 + PMID:22130175 + PMID:22150211 + PMID:22240068 + PMID:22290316 + PMID:22342082 + PMID:22385337 + PMID:22443779 + PMID:22560242 + Reaxys:3587154 + Wikipedia:Ammonia + AMMONIA + Ammonia + ammonia + azane + chebi_ontology + Ammoniak + NH3 + R-717 + [NH3] + ammoniac + amoniaco + spirit of hartshorn + CHEBI:16134 + + ammonia + + + + + CAS:7664-41-7 + ChemIDplus + + + + + CAS:7664-41-7 + KEGG COMPOUND + + + + + CAS:7664-41-7 + NIST Chemistry WebBook + + + + + Drug_Central:4625 + DrugCentral + + + + + Gmelin:79 + Gmelin + + + + + PMID:110589 + Europe PMC + + + + + PMID:11139349 + Europe PMC + + + + + PMID:11540049 + Europe PMC + + + + + PMID:11746427 + Europe PMC + + + + + PMID:11783653 + Europe PMC + + + + + PMID:13753780 + Europe PMC + + + + + PMID:14663195 + Europe PMC + + + + + PMID:15092448 + Europe PMC + + + + + PMID:15094021 + Europe PMC + + + + + PMID:15554424 + Europe PMC + + + + + PMID:15969015 + Europe PMC + + + + + PMID:16008360 + Europe PMC + + + + + PMID:16050680 + Europe PMC + + + + + PMID:16348008 + Europe PMC + + + + + PMID:16349403 + Europe PMC + + + + + PMID:16614889 + Europe PMC + + + + + PMID:16664306 + Europe PMC + + + + + PMID:16842901 + Europe PMC + + + + + PMID:17025297 + Europe PMC + + + + + PMID:17439666 + Europe PMC + + + + + PMID:17569513 + Europe PMC + + + + + PMID:17737668 + Europe PMC + + + + + PMID:18670398 + Europe PMC + + + + + PMID:22002069 + Europe PMC + + + + + PMID:22081570 + Europe PMC + + + + + PMID:22088435 + Europe PMC + + + + + PMID:22100291 + Europe PMC + + + + + PMID:22130175 + Europe PMC + + + + + PMID:22150211 + Europe PMC + + + + + PMID:22240068 + Europe PMC + + + + + PMID:22290316 + Europe PMC + + + + + PMID:22342082 + Europe PMC + + + + + PMID:22385337 + Europe PMC + + + + + PMID:22443779 + Europe PMC + + + + + PMID:22560242 + Europe PMC + + + + + Reaxys:3587154 + Reaxys + + + + + AMMONIA + PDBeChem + + + + + Ammonia + KEGG_COMPOUND + + + + + ammonia + IUPAC + + + + + + azane + IUPAC + + + + + + Ammoniak + ChemIDplus + + + + + NH3 + IUPAC + + + + + NH3 + KEGG_COMPOUND + + + + + R-717 + ChEBI + + + + + [NH3] + MolBase + + + + + ammoniac + ChEBI + + + + + amoniaco + ChEBI + + + + + spirit of hartshorn + ChemIDplus + + + + + + + + + + + An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines. + 0 + C5H5N + InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H + JUJWROOIHBZHMG-UHFFFAOYSA-N + 79.09990 + 79.04220 + c1ccncc1 + CHEBI:14974 + CHEBI:26415 + CHEBI:8662 + CAS:110-86-1 + Gmelin:1996 + HMDB:HMDB0000926 + KEGG:C00747 + PDBeChem:0PY + PMID:24364496 + PMID:24425539 + PMID:8070089 + Reaxys:103233 + Wikipedia:Pyridine + Pyridine + pyridine + chebi_ontology + Azabenzene + py + CHEBI:16227 + + pyridine + + + + + CAS:110-86-1 + ChemIDplus + + + + + CAS:110-86-1 + KEGG COMPOUND + + + + + CAS:110-86-1 + NIST Chemistry WebBook + + + + + Gmelin:1996 + Gmelin + + + + + PMID:24364496 + Europe PMC + + + + + PMID:24425539 + Europe PMC + + + + + PMID:8070089 + Europe PMC + + + + + Reaxys:103233 + Reaxys + + + + + Pyridine + KEGG_COMPOUND + + + + + pyridine + IUPAC + + + + + + pyridine + UniProt + + + + + Azabenzene + KEGG_COMPOUND + + + + + py + IUPAC + + + + + + + + + A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance. + 0 + [43Ca] + InChI=1S/Ca/i1+3 + OYPRJOBELJOOCE-AKLPVKDBSA-N + 42.959 + 42.95877 + [43Ca] + CAS:14333-06-3 + PMID:11859764 + PMID:19117733 + PMID:20463996 + PMID:20574585 + PMID:23163540 + PMID:23398971 + PMID:24874995 + PMID:25306191 + PMID:29770988 + PMID:6548252 + ((43)Ca)calcium + chebi_ontology + (43)20Ca + (43)Ca + (43)calcium + Ca-43 + calcium, isotope of mass 43 + calcium-43 + calcium-43 isotope + CHEBI:176566 + + calcium-43 atom + + + + + CAS:14333-06-3 + ChemIDplus + + + + + PMID:11859764 + Europe PMC + + + + + PMID:19117733 + Europe PMC + + + + + PMID:20463996 + Europe PMC + + + + + PMID:20574585 + Europe PMC + + + + + PMID:23163540 + Europe PMC + + + + + PMID:23398971 + Europe PMC + + + + + PMID:24874995 + Europe PMC + + + + + PMID:25306191 + Europe PMC + + + + + PMID:29770988 + Europe PMC + + + + + PMID:6548252 + Europe PMC + + + + + ((43)Ca)calcium + IUPAC + + + + + + (43)20Ca + ChEBI + + + + + (43)Ca + ChemIDplus + + + + + (43)calcium + ChEBI + + + + + Ca-43 + ChEBI + + + + + calcium, isotope of mass 43 + ChemIDplus + + + + + calcium-43 + ChemIDplus + + + + + calcium-43 isotope + ChEBI + + + + + + + + + A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2. + 0 + [85Rb] + InChI=1S/Rb/i1+0 + IGLNJRXAVVLDKE-IGMARMGPSA-N + 84.912 + 84.91179 + [85Rb] + CAS:13982-12-2 + PMID:18026483 + PMID:18033464 + PMID:18291893 + PMID:18382518 + PMID:19855587 + PMID:25087142 + PMID:32909800 + PMID:33709729 + PMID:34170158 + ((85)Rb)rubidium + chebi_ontology + (85)37Rb + (85)Rb + Rb-85 + rubidium, isotope of mass 85 + rubidium-85 + CHEBI:176572 + + rubidium-85 atom + + + + + CAS:13982-12-2 + ChemIDplus + + + + + PMID:18026483 + Europe PMC + + + + + PMID:18033464 + Europe PMC + + + + + PMID:18291893 + Europe PMC + + + + + PMID:18382518 + Europe PMC + + + + + PMID:19855587 + Europe PMC + + + + + PMID:25087142 + SUBMITTER + + + + + PMID:32909800 + Europe PMC + + + + + PMID:33709729 + Europe PMC + + + + + PMID:34170158 + Europe PMC + + + + + ((85)Rb)rubidium + IUPAC + + + + + + (85)37Rb + ChEBI + + + + + (85)Rb + ChemIDplus + + + + + Rb-85 + ChEBI + + + + + rubidium, isotope of mass 85 + ChemIDplus + + + + + rubidium-85 + ChemIDplus + + + + + + + + + A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2. + 0 + [59Co] + InChI=1S/Co/i1+0 + GUTLYIVDDKVIGB-IGMARMGPSA-N + 58.933 + 58.93319 + [59Co] + PMID:10617436 + PMID:10940985 + PMID:11421673 + PMID:11528329 + PMID:12943912 + PMID:19150229 + PMID:19421527 + PMID:25069794 + PMID:25169133 + PMID:26066447 + PMID:26641288 + PMID:27355901 + PMID:30137661 + PMID:31367328 + PMID:32478347 + ((59)Co)cobalt + chebi_ontology + (59)27Co + (59)Co + Co-59 + cobalt, isotope of mass 59 + cobalt-(59)Co + cobalt-59 + CHEBI:176578 + + cobalt-59 atom + + + + + PMID:10617436 + Europe PMC + + + + + PMID:10940985 + Europe PMC + + + + + PMID:11421673 + Europe PMC + + + + + PMID:11528329 + SUBMITTER + + + + + PMID:12943912 + Europe PMC + + + + + PMID:19150229 + Europe PMC + + + + + PMID:19421527 + Europe PMC + + + + + PMID:25069794 + Europe PMC + + + + + PMID:25169133 + Europe PMC + + + + + PMID:26066447 + Europe PMC + + + + + PMID:26641288 + Europe PMC + + + + + PMID:27355901 + Europe PMC + + + + + PMID:30137661 + Europe PMC + + + + + PMID:31367328 + Europe PMC + + + + + PMID:32478347 + Europe PMC + + + + + ((59)Co)cobalt + IUPAC + + + + + + (59)27Co + ChEBI + + + + + (59)Co + ChEBI + + + + + Co-59 + ChEBI + + + + + cobalt, isotope of mass 59 + ChEBI + + + + + cobalt-(59)Co + ChEBI + + + + + cobalt-59 + ChEBI + + + + + + + + + A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2. + 0 + [55Mn] + InChI=1S/Mn/i1+0 + PWHULOQIROXLJO-IGMARMGPSA-N + 54.938 + 54.93804 + [55Mn] + PMID:20645339 + PMID:21058720 + PMID:21341708 + PMID:24993844 + PMID:25179135 + PMID:25891681 + ((55)Mn)manganese + chebi_ontology + (55)25Mn + (55)Mn + Mn-55 + manganese, isotope of mass 55 + manganese-55 + CHEBI:176583 + + manganese-55 atom + + + + + PMID:20645339 + Europe PMC + + + + + PMID:21058720 + Europe PMC + + + + + PMID:21341708 + Europe PMC + + + + + PMID:24993844 + Europe PMC + + + + + PMID:25179135 + Europe PMC + + + + + PMID:25891681 + Europe PMC + + + + + ((55)Mn)manganese + IUPAC + + + + + + (55)25Mn + ChEBI + + + + + (55)Mn + ChEBI + + + + + Mn-55 + ChEBI + + + + + manganese, isotope of mass 55 + ChEBI + + + + + manganese-55 + ChEBI + + + + + + + + + A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2. + 0 + [75As] + InChI=1S/As/i1+0 + RQNWIZPPADIBDY-IGMARMGPSA-N + 74.922 + 74.92159 + [75As] + ((75)As)arsenic + chebi_ontology + (75)33As + (75)As + As-75 + arsenic, isotope of mass 75 + arsenic-75 + CHEBI:176584 + + arsenic-75 atom + + + + + ((75)As)arsenic + IUPAC + + + + + + (75)33As + ChEBI + + + + + (75)As + ChEBI + + + + + As-75 + ChEBI + + + + + arsenic, isotope of mass 75 + ChEBI + + + + + arsenic-75 + ChEBI + + + + + + + + + + A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. + 0 + C18H15P + InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H + RIOQSEWOXXDEQQ-UHFFFAOYSA-N + 262.292 + 262.09114 + C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 + CAS:603-35-0 + Chemspider:11283 + HMDB:HMDB0259265 + PMCID:PMC8513919 + PMID:2531144 + PMID:31948233 + PMID:32124602 + PMID:32259335 + PMID:34260204 + PMID:34338057 + Reaxys:610776 + Wikipedia:Triphenylphosphine + triphenylphosphane + chebi_ontology + PP 360 + PPh3 + Ph3P + TPP + Triphenylphosphan + Triphenylphosphin + phosphorus triphenyl + triphenyl phosphine + triphenylphosphide + triphenylphosphorus + CHEBI:183318 + + triphenylphosphine + + + + + CAS:603-35-0 + ChemIDplus + + + + + CAS:603-35-0 + NIST Chemistry WebBook + + + + + PMCID:PMC8513919 + Europe PMC + + + + + PMID:2531144 + Europe PMC + + + + + PMID:31948233 + Europe PMC + + + + + PMID:32124602 + Europe PMC + + + + + PMID:32259335 + Europe PMC + + + + + PMID:34260204 + Europe PMC + + + + + PMID:34338057 + Europe PMC + + + + + Reaxys:610776 + Reaxys + + + + + triphenylphosphane + IUPAC + + + + + + PP 360 + ChemIDplus + + + + + PPh3 + ChEBI + + + + + Ph3P + ChEBI + + + + + TPP + ChEBI + + + + + Triphenylphosphan + SUBMITTER + + + + + Triphenylphosphin + SUBMITTER + + + + + phosphorus triphenyl + NIST_Chemistry_WebBook + + + + + triphenyl phosphine + ChemIDplus + + + + + triphenylphosphide + ChemIDplus + + + + + triphenylphosphorus + ChemIDplus + + + + + + + + + + 0 + C2D3N + InChI=1S/C2H3N/c1-2-3/h1H3/i1D3 + WEVYAHXRMPXWCK-FIBGUPNXSA-N + 44.071 + 44.04538 + N#CC([H])([H])[H] + CAS:2206-26-0 + 2,2,2-trideuterioacetonitrile + chebi_ontology + Acetonitril-d3 + CD3CN + methyl-d3 cyanide + CHEBI:193038 + + acetonitrile-d3 + + + + + + true + + + + + CAS:2206-26-0 + SUBMITTER + + + + + 2,2,2-trideuterioacetonitrile + SUBMITTER + + + + + + Acetonitril-d3 + SUBMITTER + + + + + CD3CN + SUBMITTER + + + + + methyl-d3 cyanide + SUBMITTER + + + + + + + + + + + + 0 + C6D6 + InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D + UHOVQNZJYSORNB-MZWXYZOWSA-N + 84.151 + 84.08461 + C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])[2H] + CAS:1076-43-3 + Wikipedia:Deuterated_benzene + ((2)H6)benzene + chebi_ontology + 1,2,3,4,5,6-hexadeuteriobenzene + Benzol-d6 + benzene-1,2,3,4,5,6-d6 + hexadeuterobenzene + perdeuterobenzene + CHEBI:193039 + + benzene-d6 + + + + + + true + + + + + CAS:1076-43-3 + ChemIDplus + + + + + CAS:1076-43-3 + NIST Chemistry WebBook + + + + + ((2)H6)benzene + IUPAC + + + + + + 1,2,3,4,5,6-hexadeuteriobenzene + IUPAC + + + + + Benzol-d6 + SUBMITTER + + + + + benzene-1,2,3,4,5,6-d6 + ChemIDplus + + + + + hexadeuterobenzene + SUBMITTER + + + + + perdeuterobenzene + SUBMITTER + + + + + + + + + + + + 0 + C3D7NO + InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D + ZMXDDKWLCZADIW-YYWVXINBSA-N + 80.138 + 80.09670 + O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H] + CAS:4472-41-7 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF + 1-deuterio-N,N-bis(trideuteriomethyl)formamide + chebi_ontology + DMF-d7 + deuterated DMF + heptadeutero-N,N-dimethylformamide + CHEBI:193040 + + N,N-dimethylformamide-d7 + + + + + + true + + + + + CAS:4472-41-7 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF + SUBMITTER + + + + + 1-deuterio-N,N-bis(trideuteriomethyl)formamide + SUBMITTER + + + + + + DMF-d7 + SUBMITTER + + + + + deuterated DMF + SUBMITTER + + + + + heptadeutero-N,N-dimethylformamide + SUBMITTER + + + + + + + + + + + + 0 + C2D6OS + InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3 + IAZDPXIOMUYVGZ-WFGJKAKNSA-N + 84.170 + 84.05160 + S(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H] + CAS:2206-27-1 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO + trideuterio(trideuteriomethylsulfinyl)methane + chebi_ontology + DMSO-d6 + deuterated DMSO + hexadeuterodimethyl sulfoxide + CHEBI:193041 + + dimethyl sulfoxide-d6 + + + + + + true + + + + + CAS:2206-27-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO + SUBMITTER + + + + + trideuterio(trideuteriomethylsulfinyl)methane + SUBMITTER + + + + + + DMSO-d6 + SUBMITTER + + + + + deuterated DMSO + SUBMITTER + + + + + hexadeuterodimethyl sulfoxide + SUBMITTER + + + + + + + + + + + + 0 + CD2Cl2 + InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2 + YMWUJEATGCHHMB-DICFDUPASA-N + 86.940 + 85.96591 + ClC(Cl)([H])[H] + CAS:1665-00-5 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane + dichloro(dideuterio)methane + chebi_ontology + methylene chloride-d2 + CHEBI:193042 + + dichloromethane-d2 + + + + + + true + + + + + CAS:1665-00-5 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane + SUBMITTER + + + + + dichloro(dideuterio)methane + SUBMITTER + + + + + + methylene chloride-d2 + SUBMITTER + + + + + + + + + + + + 0 + C2D6O + InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D + LFQSCWFLJHTTHZ-LIDOUZCJSA-N + 52.106 + 52.07953 + O(C(C([H])([H])[H])([H])[H])[H] + CAS:1516-08-1 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol + 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane + chebi_ontology + deuterated ethanol + ethyl-d5 alcohol-d + hexadeuteroethanol + CHEBI:193043 + + ethanol-d6 + + + + + + true + + + + + CAS:1516-08-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol + SUBMITTER + + + + + 1,1,1,2,2-pentadeuterio-2-deuteriooxyethane + SUBMITTER + + + + + + deuterated ethanol + SUBMITTER + + + + + ethyl-d5 alcohol-d + SUBMITTER + + + + + hexadeuteroethanol + SUBMITTER + + + + + + + + + + + + 0 + C6D5NO2 + InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D + LQNUZADURLCDLV-RALIUCGRSA-N + 128.142 + 128.06341 + [O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H] + CAS:4165-60-0 + 1,2,3,4,5-pentadeuterio-6-nitrobenzene + chebi_ontology + CHEBI:193044 + + nitrobenzene-d5 + + + + + + true + + + + + CAS:4165-60-0 + SUBMITTER + + + + + 1,2,3,4,5-pentadeuterio-6-nitrobenzene + SUBMITTER + + + + + + + + + + + + + 0 + CD3NO2 + InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3 + LYGJENNIWJXYER-FIBGUPNXSA-N + 64.058 + 64.03521 + [O-][N+](=O)C([2H])([2H])[2H] + CAS:13031-32-8 + trideuterio(nitro)methane + chebi_ontology + deuterated nitromethane + nitro(2H3)methane + CHEBI:193045 + + nitromethane-d3 + + + + + + true + + + + + CAS:13031-32-8 + SUBMITTER + + + + + trideuterio(nitro)methane + SUBMITTER + + + + + + deuterated nitromethane + SUBMITTER + + + + + nitro(2H3)methane + SUBMITTER + + + + + + + + + + + + + 0 + C5D5N + InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D + JUJWROOIHBZHMG-RALIUCGRSA-N + 84.133 + 84.07358 + N1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H] + CAS:7291-22-7 + 2,3,4,5,6-pentadeuteriopyridine + chebi_ontology + (2H5)pyridine + deuterated pyridine + CHEBI:193046 + + pyridine-d5 + + + + + + true + + + + + CAS:7291-22-7 + SUBMITTER + + + + + 2,3,4,5,6-pentadeuteriopyridine + SUBMITTER + + + + + + (2H5)pyridine + SUBMITTER + + + + + deuterated pyridine + SUBMITTER + + + + + + + + + + + + 0 + C4D8O + InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2 + WYURNTSHIVDZCO-SVYQBANQSA-N + 80.156 + 80.10773 + O1C(C(C(C1([H])[H])([H])[H])([H])[H])([H])[H] + CAS:1693-74-9 + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF + 2,2,3,3,4,4,5,5-octadeuteriooxolane + chebi_ontology + THF-d8 + deuterated THF + tetrahydrofuran-d8 + CHEBI:193047 + + oxolane-d8 + + + + + + true + + + + + CAS:1693-74-9 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF + SUBMITTER + + + + + 2,2,3,3,4,4,5,5-octadeuteriooxolane + SUBMITTER + + + + + + THF-d8 + SUBMITTER + + + + + deuterated THF + SUBMITTER + + + + + tetrahydrofuran-d8 + SUBMITTER + + + + + + + + + + + + 0 + C7D8 + InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D + YXFVVABEGXRONW-JGUCLWPXSA-N + 100.190 + 100.11281 + C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])C([2H])([2H])[2H] + CAS:2037-26-5 + 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene + chebi_ontology + octadeuterotoluene + perdeuterated toluene + perdeuteriotoluene + CHEBI:193048 + + toluene-d8 + + + + + + true + + + + + CAS:2037-26-5 + SUBMITTER + + + + + 1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene + SUBMITTER + + + + + + octadeuterotoluene + SUBMITTER + + + + + perdeuterated toluene + SUBMITTER + + + + + perdeuteriotoluene + SUBMITTER + + + + + + + + + + + + 0 + C2D4O2 + InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD + QTBSBXVTEAMEQO-GUEYOVJQSA-N + 64.076 + 64.04624 + O(C(=O)C([2H])([2H])[2H])[2H] + CAS:1186-52-3 + deuterio 2,2,2-trideuterioacetate + chebi_ontology + (2H3)acetic (2H)acid + CD3COOD + deuterated acetic acid + tetradeuteroacetic acid + CHEBI:193049 + + acetic acid-d4 + + + + + + true + + + + + CAS:1186-52-3 + SUBMITTER + + + + + deuterio 2,2,2-trideuterioacetate + SUBMITTER + + + + + + (2H3)acetic (2H)acid + SUBMITTER + + + + + CD3COOD + SUBMITTER + + + + + deuterated acetic acid + SUBMITTER + + + + + tetradeuteroacetic acid + SUBMITTER + + + + + + + + + + + + 0 + C2DF3O2 + InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD + DTQVDTLACAAQTR-DYCDLGHISA-N + 115.029 + 114.99914 + FC(F)(F)C(O[2H])=O + CAS:599-00-8 + deuterio 2,2,2-trifluoroacetate + chebi_ontology + CF3COOD + TFA-d + deuterated trifluoroacetic acid + deuterotrifluoroacetic acid + trifluoroacetic acid-d + CHEBI:193050 + + trifluoroacetic acid-d1 + + + + + + true + + + + + CAS:599-00-8 + SUBMITTER + + + + + deuterio 2,2,2-trifluoroacetate + SUBMITTER + + + + + + CF3COOD + SUBMITTER + + + + + TFA-d + SUBMITTER + + + + + deuterated trifluoroacetic acid + SUBMITTER + + + + + deuterotrifluoroacetic acid + SUBMITTER + + + + + trifluoroacetic acid-d + SUBMITTER + + + + + + + + + + + 0 + C2Cl3F3 + InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8 + AJDIZQLSFPQPEY-UHFFFAOYSA-N + 187.370 + 185.90177 + C(C(Cl)(F)F)(F)(Cl)Cl + CAS:76-13-1 + Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane + 1,1,2-trichloro-1,2,2-trifluoroethane + chebi_ontology + CFC-113 + Freon 113 + CHEBI:193131 + + 1,1,2-Trichlorotrifluoroethane + + + + + + true + + + + + CAS:76-13-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane + SUBMITTER + + + + + 1,1,2-trichloro-1,2,2-trifluoroethane + SUBMITTER + + + + + + CFC-113 + SUBMITTER + + + + + Freon 113 + SUBMITTER + + + + + + + + + + + + 0 + CD2O2 + InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD + BDAGIHXWWSANSR-PFUFQJKNSA-N + 48.037 + 48.01803 + O(C(=O)[2H])[2H] + CAS:920-42-3 + deuterio deuterioformate + chebi_ontology + (2H)formic (2)acid + DCOOD + CHEBI:193132 + + formic acid-d2 + + + + + + true + + + + + CAS:920-42-3 + SUBMITTER + + + + + deuterio deuterioformate + SUBMITTER + + + + + + (2H)formic (2)acid + SUBMITTER + + + + + DCOOD + SUBMITTER + + + + + + + + + + + + 0 + CH3DO + InChI=1S/CH4O/c1-2/h2H,1H3/i2D + OKKJLVBELUTLKV-VMNATFBRSA-N + 33.048 + 33.03249 + O(C([H])([H])[H])[H] + CAS:1455-13-6 + deuteriooxymethane + chebi_ontology + methyl alcohol-d1 + mono-deuteromethanol + CHEBI:193133 + + methanol-d1 + + + + + + true + + + + + CAS:1455-13-6 + SUBMITTER + + + + + deuteriooxymethane + SUBMITTER + + + + + + methyl alcohol-d1 + SUBMITTER + + + + + mono-deuteromethanol + SUBMITTER + + + + + + + + + + + + 0 + C2D2Cl4 + InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D + QPFMBZIOSGYJDE-QDNHWIQGSA-N + 169.850 + 167.90361 + ClC(Cl)(C(Cl)(Cl)[H])[H] + CAS:33685-54-0 + 1,1,2,2-tetrachloro-1,2-dideuterioethane + chebi_ontology + TCE-d2 + CHEBI:193134 + + 1,1,2,2-tetrachlorethane-d2 + + + + + + true + + + + + CAS:33685-54-0 + SUBMITTER + + + + + 1,1,2,2-tetrachloro-1,2-dideuterioethane + SUBMITTER + + + + + + TCE-d2 + SUBMITTER + + + + + + + + + + + 0 + C2D6O + InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3 + LCGLNKUTAGEVQW-WFGJKAKNSA-N + 52.106 + 52.07953 + O(C([H])([H])[H])C([H])([H])[H] + CAS:17222-37-6 + trideuterio(trideuteriomethoxy)methane + chebi_ontology + (CD3)2O + dimethyl-d6 ether + CHEBI:193135 + + dimethyl ether-d6 + + + + + + true + + + + + CAS:17222-37-6 + SUBMITTER + + + + + trideuterio(trideuteriomethoxy)methane + SUBMITTER + + + + + + (CD3)2O + SUBMITTER + + + + + dimethyl-d6 ether + SUBMITTER + + + + + + + + + + + 0 + FHO3S + InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4) + UQSQSQZYBQSBJZ-UHFFFAOYSA-N + 100.060 + 99.96304 + S(=O)(F)(=O)O + CAS:7789-21-1 + Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid + sulfurofluoridic acid + chebi_ontology + fluorosulfuric acid + monofluorosulfuric acid + perfluorosulfonic acid + CHEBI:193136 + + fluorosulfonic acid + + + + + + true + + + + + CAS:7789-21-1 + SUBMITTER + + + + + Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid + SUBMITTER + + + + + sulfurofluoridic acid + SUBMITTER + + + + + + fluorosulfuric acid + SUBMITTER + + + + + monofluorosulfuric acid + SUBMITTER + + + + + perfluorosulfonic acid + SUBMITTER + + + + + + + + + + + + + 0 + F5Sb + InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5 + VBVBHWZYQGJZLR-UHFFFAOYSA-I + 216.752 + 215.89583 + [Sb](F)(F)(F)(F)F + CAS:7783-70-2 + PMID:1113327 + Wikipedia:Antimony_pentafluoride + antimony(V) fluoride + chebi_ontology + Antimon(V)-fluorid + pentafluoridoantimony + CHEBI:193146 + + antimony pentafluoride + + + + + + true + + + + + CAS:7783-70-2 + ChemIDplus + + + + + CAS:7783-70-2 + NIST Chemistry WebBook + + + + + PMID:1113327 + Europe PMC + + + + + antimony(V) fluoride + IUPAC + + + + + + Antimon(V)-fluorid + SUBMITTER + + + + + pentafluoridoantimony + SUBMITTER + + + + + + + + + + 0 + BrF5 + InChI=1S/BrF5/c2-1(3,4,5)6 + XHVUVQAANZKEKF-UHFFFAOYSA-N + 174.896 + 173.91035 + Br(F)(F)(F)(F)F + CAS:7789-30-2 + Chemspider:23008 + Wikipedia:Bromine_pentafluoride + chebi_ontology + CHEBI:193148 + + bromine pentafluoride + + + + + + true + + + + + CAS:7789-30-2 + ChemIDplus + + + + + CAS:7789-30-2 + NIST Chemistry WebBook + + + + + + + + + + + 0 + C6H15O3SSi.Na + InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1 + HWEXKRHYVOGVDA-UHFFFAOYSA-M + 218.320 + 218.04089 + S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+] + Chemspider:67436 + KEGG:D84158 + sodium;3-trimethylsilylpropane-1-sulonate + chebi_ontology + CHEBI:195173 + + 1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) + + + + + + true + + + + + sodium;3-trimethylsilylpropane-1-sulonate + IUPAC + + + + + + + + + + + A solvent used in nuclear magnetic resonance (NMR) spectroscopy. + chebi_ontology + NMR solvents + NMR-Loesemittel + NMR-Loesungsmittel + CHEBI:197449 + + NMR solvent + + + + + NMR solvents + SUBMITTER + + + + + NMR-Loesemittel + SUBMITTER + + + + + NMR-Loesungsmittel + SUBMITTER + + + + + + + + + + Any compound that produces a peak used as reference frequency in the delta chemical shift scale. + + chebi_ontology + NMR chemical shift reference compounds + NMR chemical shift standard + NMR chemical shift standards + NMR internal standard + NMR internal standards + NMR reference standard + NMR reference standards + CHEBI:228364 + + NMR chemical shift reference compound + + + + + + "chemical shift calibration compound role" class was added as a grouping super class for "NMR chemical shift reference compound" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class "NMR calibration compound role". + + + + + + NMR chemical shift reference compounds + ChEBI + + + + + NMR chemical shift standard + ChEBI + + + + + NMR chemical shift standards + ChEBI + + + + + NMR internal standard + ChEBI + + + + + NMR internal standards + ChEBI + + + + + NMR reference standard + ChEBI + + + + + NMR reference standards + ChEBI + + + + + + + + + + An organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3. + -1 + C6H15O3SSi + InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1 + TVZRAEYQIKYCPH-UHFFFAOYSA-M + 195.330 + 195.05167 + C[Si](C)(C)CCCS([O-])(=O)=O + PMID:34273131 + PMID:37904798 + PMID:38404187 + 3-(trimethylsilyl)propane-1-sulfonate + chebi_ontology + 2,2-dimethyl-2-silapentane-5-sulfonate + 3-(trimethylsilyl)-1-propanesulfonate + DSS anion + CHEBI:228806 + + 3-(trimethylsilyl)propane-1-sulfonate + + + + + PMID:34273131 + Europe PMC + + + + + PMID:37904798 + Europe PMC + + + + + PMID:38404187 + Europe PMC + + + + + 3-(trimethylsilyl)propane-1-sulfonate + IUPAC + + + + + + 2,2-dimethyl-2-silapentane-5-sulfonate + ChEBI + + + + + 3-(trimethylsilyl)-1-propanesulfonate + ChEBI + + + + + DSS anion + ChEBI + + + + + + + + + + + + The inorganic nitrate salt of yttrium(III). + 0 + NO3.NO3.NO3.Y + InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3 + BXJPTTGFESFXJU-UHFFFAOYSA-N + 274.918 + 274.86929 + [Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:10361-93-0 + PMID:21611672 + PMID:25966754 + PMID:28866266 + PMID:32349286 + PMID:36512970 + PMID:37102272 + Wikipedia:Yttrium(III)_nitrate + yttrium trinitrate + chebi_ontology + nitric acid yttrium(3+) salt + nitric acid, yttrium(3+) salt + yttrium(3+) nitrate + yttrium(III) nitrate + CHEBI:229454 + + yttrium nitrate + + + + + CAS:10361-93-0 + ChEBI + + + + + PMID:21611672 + Europe PMC + + + + + PMID:25966754 + Europe PMC + + + + + PMID:28866266 + Europe PMC + + + + + PMID:32349286 + Europe PMC + + + + + PMID:36512970 + Europe PMC + + + + + PMID:37102272 + Europe PMC + + + + + yttrium trinitrate + IUPAC + + + + + + nitric acid yttrium(3+) salt + ChEBI + + + + + nitric acid, yttrium(3+) salt + ChEBI + + + + + yttrium(3+) nitrate + ChEBI + + + + + yttrium(III) nitrate + ChEBI + + + + + + + + + + + An organocadmium compound that is cadmium substituted by two methyl groups. + 0 + C2H6Cd + InChI=1S/2CH3.Cd/h2*1H3; + KVVGSXJGEUULNM-UHFFFAOYSA-N + 142.484 + 143.95031 + C[Cd]C + CAS:506-82-1 + PMID:11671234 + PMID:1916391 + PMID:22295998 + PMID:22409081 + PMID:27457504 + PMID:28125780 + PMID:28613888 + PMID:31145405 + Wikipedia:Dimethylcadmium + dimethylcadmium + chebi_ontology + Me2Cd + cadmium(2+) carbanide + CHEBI:229455 + + dimethylcadmium + + + + + CAS:506-82-1 + NIST Chemistry WebBook + + + + + PMID:11671234 + Europe PMC + + + + + PMID:1916391 + Europe PMC + + + + + PMID:22295998 + Europe PMC + + + + + PMID:22409081 + Europe PMC + + + + + PMID:27457504 + Europe PMC + + + + + PMID:28125780 + Europe PMC + + + + + PMID:28613888 + Europe PMC + + + + + PMID:31145405 + Europe PMC + + + + + dimethylcadmium + IUPAC + + + + + + Me2Cd + ChEBI + + + + + cadmium(2+) carbanide + ChEBI + + + + + + + + + + + A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group. + 0 + F4OXe + InChI=1S/F4OXe/c1-6(2,3,4)5 + ONRYXFFHIXYZMZ-UHFFFAOYSA-N + 223.286 + 223.89268 + F[Xe](F)(F)(F)=O + CAS:13774-85-1 + Wikipedia:Xenon_oxytetrafluoride + tetrafluoro(oxido)xenon + xenon oxytetrafluoride + chebi_ontology + XeOF4 + xenon fluoride oxide (XeF4O) + xenon fluoride oxide (XeOF4) + xenon monoxide tetrafluoride + xenon oxide fluoride (XeOF4) + xenon oxyfluoride (XeOF4) + xenon tetrafluoride monoxide + xenon tetrafluoride oxide + CHEBI:229456 + + xenon oxytetrafluoride + + + + + CAS:13774-85-1 + NIST Chemistry WebBook + + + + + tetrafluoro(oxido)xenon + IUPAC + + + + + + xenon oxytetrafluoride + ChEBI + + + + + XeOF4 + ChEBI + + + + + xenon fluoride oxide (XeF4O) + ChEBI + + + + + xenon fluoride oxide (XeOF4) + ChEBI + + + + + xenon monoxide tetrafluoride + ChEBI + + + + + xenon oxide fluoride (XeOF4) + ChEBI + + + + + xenon oxyfluoride (XeOF4) + ChEBI + + + + + xenon tetrafluoride monoxide + ChEBI + + + + + xenon tetrafluoride oxide + ChEBI + + + + + + + + + + + 0 + C15H24O6Rh + 403.256 + 403.06279 + chebi_ontology + CHEBI:229457 + + rhodium acetylacetonate + + + + + + + + + + + + + The inorganic nitrate salt of thallium(III). + 0 + NO3.NO3.NO3.Tl + InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3 + KLBIUKJOZFWCLW-UHFFFAOYSA-N + 390.390 + 390.93788 + [Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:13746-98-0 + PMID:12003571 + PMID:1219781 + PMID:13464463 + PMID:15433618 + PMID:20377233 + PMID:20472438 + PMID:25891454 + PMID:33577652 + PMID:38104746 + Wikipedia:Thallium(III)_nitrate + thallium(3+) trinitrate + chebi_ontology + Tl(NO3)3 + nitric acid thallium(3+) salt + nitric acid, thallium(3+) salt + nitric acid, thallium(3+) salt (3:1) + thallic nitrate + thallium nitrate + thallium trinitrate + trinitric acid thallium(III) salt + CHEBI:229458 + + thallium(III) nitrate + + + + + CAS:13746-98-0 + ChEBI + + + + + PMID:12003571 + Europe PMC + + + + + PMID:1219781 + Europe PMC + + + + + PMID:13464463 + Europe PMC + + + + + PMID:15433618 + Europe PMC + + + + + PMID:20377233 + Europe PMC + + + + + PMID:20472438 + Europe PMC + + + + + PMID:25891454 + Europe PMC + + + + + PMID:33577652 + Europe PMC + + + + + PMID:38104746 + Europe PMC + + + + + thallium(3+) trinitrate + IUPAC + + + + + + Tl(NO3)3 + ChEBI + + + + + nitric acid thallium(3+) salt + ChEBI + + + + + nitric acid, thallium(3+) salt + ChEBI + + + + + nitric acid, thallium(3+) salt (3:1) + ChEBI + + + + + thallic nitrate + ChEBI + + + + + thallium nitrate + ChEBI + + + + + thallium trinitrate + ChEBI + + + + + trinitric acid thallium(III) salt + ChEBI + + + + + + + + + + + 0 + C4H10O.BF3 + InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3; + KZMGYPLQYOPHEL-UHFFFAOYSA-N + 141.930 + 142.07768 + B(F)(F)F.O(CC)CC + chebi_ontology + BF3.Et2O + CHEBI:231495 + + Boron trifluoride etherate + + + + + BF3.Et2O + SUBMITTER + + + + + + + + + + + + An inorganic nitrate salt having Sc(3+) as the counterion. + 0 + NO3.NO3.NO3.Sc + InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3 + DFCYEXJMCFQPPA-UHFFFAOYSA-N + 230.968 + 230.91936 + [Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + PMID:23350751 + PMID:30080026 + PMID:35335383 + Wikipedia:13465-60-6 + Wikipedia:Scandium_nitrate + scandium trinitrate + chebi_ontology + Sc(NO3)3 + nitric acid scandium(3+) salt + nitric acid, scandium(3+) salt + scandium nitrate (Sc(NO3)3) + scandium(3+) nitrate + scandium(3+) trinitrate + scandium(III) nitrate + tris(nitrato-O,O')scandium + CHEBI:231498 + + scandium nitrate + + + + + PMID:23350751 + Europe PMC + + + + + PMID:30080026 + Europe PMC + + + + + PMID:35335383 + Europe PMC + + + + + scandium trinitrate + IUPAC + + + + + + Sc(NO3)3 + ChEBI + + + + + nitric acid scandium(3+) salt + ChEBI + + + + + nitric acid, scandium(3+) salt + ChEBI + + + + + scandium nitrate (Sc(NO3)3) + ChEBI + + + + + scandium(3+) nitrate + ChEBI + + + + + scandium(3+) trinitrate + ChEBI + + + + + scandium(III) nitrate + ChEBI + + + + + tris(nitrato-O,O')scandium + ChEBI + + + + + + + + + + + A titanium molecular entity that is titanium which carries 4 chlorine atoms. + 0 + Cl4Ti + InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4 + XJDNKRIXUMDJCW-UHFFFAOYSA-J + 189.670 + 187.82335 + Cl[Ti](Cl)(Cl)Cl + CAS:7550-45-0 + PMID:30210541 + PMID:31459120 + PMID:32551348 + PMID:32775858 + PMID:33403630 + PMID:33511532 + PMID:33715746 + PMID:34252674 + PMID:34380292 + PMID:34528791 + PMID:35166548 + PMID:35613484 + PMID:36272804 + PMID:36415852 + PMID:36615254 + PMID:36615464 + PMID:36758354 + PMID:36982242 + PMID:37582091 + PMID:37629812 + PMID:37931042 + PMID:38282685 + PMID:38334535 + PMID:38398529 + PMID:38656102 + PMID:7378496 + Wikipedia:Titanium_tetrachloride + titanium(4+) tetrachloride + chebi_ontology + TiCl4 + tetrachlorotitanium + titanium chloride + titanium chloride (TiCl4) + titanium(IV) chloride + titanium(IV) tetrachloride + CHEBI:231499 + + titanium tetrachloride + + + + + CAS:7550-45-0 + NIST Chemistry WebBook + + + + + PMID:30210541 + Europe PMC + + + + + PMID:31459120 + Europe PMC + + + + + PMID:32551348 + Europe PMC + + + + + PMID:32775858 + Europe PMC + + + + + PMID:33403630 + Europe PMC + + + + + PMID:33511532 + Europe PMC + + + + + PMID:33715746 + Europe PMC + + + + + PMID:34252674 + Europe PMC + + + + + PMID:34380292 + Europe PMC + + + + + PMID:34528791 + Europe PMC + + + + + PMID:35166548 + Europe PMC + + + + + PMID:35613484 + Europe PMC + + + + + PMID:36272804 + Europe PMC + + + + + PMID:36415852 + Europe PMC + + + + + PMID:36615254 + Europe PMC + + + + + PMID:36615464 + Europe PMC + + + + + PMID:36758354 + Europe PMC + + + + + PMID:36982242 + Europe PMC + + + + + PMID:37582091 + Europe PMC + + + + + PMID:37629812 + Europe PMC + + + + + PMID:37931042 + Europe PMC + + + + + PMID:38282685 + Europe PMC + + + + + PMID:38334535 + Europe PMC + + + + + PMID:38398529 + Europe PMC + + + + + PMID:38656102 + Europe PMC + + + + + PMID:7378496 + Europe PMC + + + + + titanium(4+) tetrachloride + IUPAC + + + + + + TiCl4 + ChEBI + + + + + tetrachlorotitanium + ChEBI + + + + + titanium chloride + ChEBI + + + + + titanium chloride (TiCl4) + ChEBI + + + + + titanium(IV) chloride + ChEBI + + + + + titanium(IV) tetrachloride + ChEBI + + + + + + + + + 0 + Cl3OV + InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3 + JBIQAPKSNFTACH-UHFFFAOYSA-K + 173.290 + 171.84543 + [V](Cl)(=O)(Cl)Cl + chebi_ontology + CHEBI:231500 + + Vanadium oxytrichloride + + + + + + + + + + 0 + CN.CN.CN.CN.CN.CN.Co.K.K.K + InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1 + LGRDAQPMSDIUQJ-UHFFFAOYSA-N + 332.336 + 331.84276 + [Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N + chebi_ontology + CHEBI:231502 + + Potassium cobalticyanide + + + + + + + + + + + + 0 + C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu + InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1 + FXYIJMLSVDZYOJ-UHFFFAOYSA-M + 327.200 + 325.98431 + Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C + chebi_ontology + CHEBI:231503 + + Cu(MeCN)4ClO4 + + + + + + + + + + + + + An inorganic nitrate salt having zinc(2+) as the couterion. + 0 + NO3.NO3.Zn + InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2 + ONDPHDOFVYQSGI-UHFFFAOYSA-N + 189.390 + 187.90478 + [Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:7779-88-6 + PMID:26491297 + PMID:31398835 + PMID:35057288 + PMID:35685711 + PMID:37828577 + PMID:38356607 + Wikipedia:Zinc_nitrate + zinc dinitrate + chebi_ontology + Zn(NO3)2 + nitric acid zinc salt + nitric acid, zinc salt + zinc(II) nitrate + CHEBI:231504 + + zinc nitrate + + + + + CAS:7779-88-6 + ChEBI + + + + + PMID:26491297 + Europe PMC + + + + + PMID:31398835 + Europe PMC + + + + + PMID:35057288 + Europe PMC + + + + + PMID:35685711 + Europe PMC + + + + + PMID:37828577 + Europe PMC + + + + + PMID:38356607 + Europe PMC + + + + + zinc dinitrate + IUPAC + + + + + + Zn(NO3)2 + ChEBI + + + + + nitric acid zinc salt + ChEBI + + + + + nitric acid, zinc salt + ChEBI + + + + + zinc(II) nitrate + ChEBI + + + + + + + + + + + + + The inorganic nitrate salt of gallium. + 0 + NO3.NO3.NO3.Ga + InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1 + CHPZKNULDCNCBW-UHFFFAOYSA-N + 255.735 + 254.88903 + [Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CHEBI:5269 + CAS:13494-90-1 + DrugBank:DB05260 + PMID:23959335 + PMID:24060870 + PMID:24656780 + PMID:26055478 + PMID:26149986 + PMID:26369125 + PMID:26647856 + PMID:26885514 + PMID:27027708 + PMID:29394029 + PMID:31216793 + PMID:31264851 + PMID:31475514 + PMID:31773196 + PMID:32845117 + PMID:32896958 + PMID:33078927 + PMID:33257448 + PMID:33715736 + PMID:34065605 + PMID:34133200 + PMID:34346692 + PMID:34775292 + PMID:35564180 + PMID:36049087 + PMID:36385992 + PMID:36621329 + PMID:37272820 + PMID:37471668 + PMID:38672503 + PMID:7428136 + Wikipedia:Gallium_nitrate + gallium trinitrate + chebi_ontology + Ga(NO3)3 + Ganite + gallium nitrate anhydrous + gallium(III) nitrate + nitric acid gallium salt + nitric acid, gallium salt + CHEBI:231505 + + gallium nitrate + + + + + CAS:13494-90-1 + ChEBI + + + + + PMID:23959335 + Europe PMC + + + + + PMID:24060870 + Europe PMC + + + + + PMID:24656780 + Europe PMC + + + + + PMID:26055478 + Europe PMC + + + + + PMID:26149986 + Europe PMC + + + + + PMID:26369125 + Europe PMC + + + + + PMID:26647856 + Europe PMC + + + + + PMID:26885514 + Europe PMC + + + + + PMID:27027708 + Europe PMC + + + + + PMID:29394029 + Europe PMC + + + + + PMID:31216793 + Europe PMC + + + + + PMID:31264851 + Europe PMC + + + + + PMID:31475514 + Europe PMC + + + + + PMID:31773196 + Europe PMC + + + + + PMID:32845117 + Europe PMC + + + + + PMID:32896958 + Europe PMC + + + + + PMID:33078927 + Europe PMC + + + + + PMID:33257448 + Europe PMC + + + + + PMID:33715736 + Europe PMC + + + + + PMID:34065605 + Europe PMC + + + + + PMID:34133200 + Europe PMC + + + + + PMID:34346692 + Europe PMC + + + + + PMID:34775292 + Europe PMC + + + + + PMID:35564180 + Europe PMC + + + + + PMID:36049087 + Europe PMC + + + + + PMID:36385992 + Europe PMC + + + + + PMID:36621329 + Europe PMC + + + + + PMID:37272820 + Europe PMC + + + + + PMID:37471668 + Europe PMC + + + + + PMID:38672503 + Europe PMC + + + + + PMID:7428136 + Europe PMC + + + + + gallium trinitrate + IUPAC + + + + + + Ga(NO3)3 + ChEBI + + + + + Ganite + DrugBank + + + + + + gallium nitrate anhydrous + ChEBI + + + + + gallium(III) nitrate + ChEBI + + + + + nitric acid gallium salt + ChEBI + + + + + nitric acid, gallium salt + ChEBI + + + + + + + + + + An organogermanium compound that is germanium which carries four methyl groups. + 0 + C4H12Ge + InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3 + ZRLCXMPFXYVHGS-UHFFFAOYSA-N + 132.770 + 134.01508 + C[Ge](C)(C)C + CAS:865-52-1 + PMID:15112560 + PMID:15913252 + PMID:16610821 + PMID:20305357 + PMID:23753000 + PMID:26617304 + PMID:30849877 + tetramethylgermane + chebi_ontology + (CH3)4Ge + Ge(CH3)4 + Me4Ge + tetramethyl germanium + tetramethylgermanium + CHEBI:231506 + + tetramethylgermane + + + + + CAS:865-52-1 + NIST Chemistry WebBook + + + + + PMID:15112560 + Europe PMC + + + + + PMID:15913252 + Europe PMC + + + + + PMID:16610821 + Europe PMC + + + + + PMID:20305357 + Europe PMC + + + + + PMID:23753000 + Europe PMC + + + + + PMID:26617304 + Europe PMC + + + + + PMID:30849877 + Europe PMC + + + + + tetramethylgermane + IUPAC + + + + + + (CH3)4Ge + NIST_Chemistry_WebBook + + + + + Ge(CH3)4 + ChEBI + + + + + Me4Ge + ChEBI + + + + + tetramethyl germanium + ChEBI + + + + + tetramethylgermanium + NIST_Chemistry_WebBook + + + + + + + + + + + + 0 + AsF6.Na + InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1 + NFXMAZFYHDSPPB-UHFFFAOYSA-N + 211.902 + 211.90178 + [As-](F)(F)(F)(F)(F)F.[Na+] + chebi_ontology + CHEBI:231507 + + Sodium hexafluoroarsenate + + + + + + + + + + + + 0 + C10H10Cl2Zr + InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 + QRUYYSPCOGSZGQ-UHFFFAOYSA-L + 292.310 + 289.92066 + [Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl + chebi_ontology + CHEBI:231508 + + Zirconocene dichloride + + + + + + + + + + 0 + H4N.O4Tc + InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1 + WJULHBIORCQBSY-UHFFFAOYSA-O + 179.040 + 179.01000 + [Tc](=O)([O-])(=O)=O.[NH4+] + chebi_ontology + CHEBI:231509 + + Ammonium pertechnetate + + + + + + + + + + + + 0 + C6N6Ru.K.K.K.K + InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2 + FRCBOHAGKUJBHE-UHFFFAOYSA-N + 413.570 + 413.77761 + [CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+] + chebi_ontology + CHEBI:231510 + + Potassium hexacyanoruthenate(ii) + + + + + + + + + + + + + 0 + Cl6Pd.K.K + InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6 + OEDRXJBJMMJUSV-UHFFFAOYSA-H + 397.320 + 393.64401 + [Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+] + chebi_ontology + CHEBI:231511 + + Potassium hexachloropalladate(IV) + + + + + + + + + + + + + The trinitrate salt of indium. + 0 + NO3.NO3.NO3.In + InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1 + LKRFCKCBYVZXTC-UHFFFAOYSA-N + 300.830 + 300.86733 + [In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O + CAS:13770-61-1 + PMID:31152235 + PMID:38456408 + PMID:38787340 + Wikipedia:Indium(III)_nitrate + indium trinitrate + chebi_ontology + In(NO3)3 + indium nitrate + indium(III) nitrate anhydrous + nitric acid indium(3+) salt + nitric acid, indium(3+) salt + CHEBI:231512 + + indium(III) nitrate + + + + + CAS:13770-61-1 + ChEBI + + + + + PMID:31152235 + Europe PMC + + + + + PMID:38456408 + Europe PMC + + + + + PMID:38787340 + Europe PMC + + + + + indium trinitrate + IUPAC + + + + + + In(NO3)3 + ChEBI + + + + + indium nitrate + ChEBI + + + + + indium(III) nitrate anhydrous + ChEBI + + + + + nitric acid indium(3+) salt + ChEBI + + + + + nitric acid, indium(3+) salt + ChEBI + + + + + + + + + + + + + + 0 + Cl6Sb.K + InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6 + QWPXFQMWSGNALL-UHFFFAOYSA-H + 373.560 + 369.68063 + [Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+] + chebi_ontology + CHEBI:231513 + + Kaliumhexachloroantimonat(V) + + + + + + + + + + + + + The inorganic nitrate salt of caesium. + 0 + NO3.Cs + InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1 + NLSCHDZTHVNDCP-UHFFFAOYSA-N + 194.909 + 194.89327 + [Cs+].[O-][N+]([O-])=O + CAS:7789-18-6 + PMID:10855667 + PMID:11080873 + PMID:16755612 + PMID:17117865 + PMID:30151534 + PMID:35411853 + Wikipedia:Caesium_nitrate + caesium nitrate + chebi_ontology + CsNO3 + cesium nitrate + nitric acid cesium salt + nitric acid, cesium salt + CHEBI:231514 + + caesium nitrate + + + + + CAS:7789-18-6 + NIST Chemistry WebBook + + + + + PMID:10855667 + Europe PMC + + + + + PMID:11080873 + Europe PMC + + + + + PMID:16755612 + Europe PMC + + + + + PMID:17117865 + Europe PMC + + + + + PMID:30151534 + Europe PMC + + + + + PMID:35411853 + Europe PMC + + + + + caesium nitrate + IUPAC + + + + + + CsNO3 + ChEBI + + + + + cesium nitrate + NIST_Chemistry_WebBook + + + + + nitric acid cesium salt + ChEBI + + + + + nitric acid, cesium salt + ChEBI + + + + + + + + + + + + + + + The trichloride salt of lanthanum. + 0 + Cl3La + InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3 + ICAKDTKJOYSXGC-UHFFFAOYSA-K + 245.260 + 243.81292 + Cl[La](Cl)Cl + CAS:10099-58-8 + PMID:25048927 + PMID:29698762 + PMID:30116365 + PMID:30617363 + PMID:31187842 + PMID:31776842 + PMID:32461997 + PMID:33206094 + PMID:34688703 + PMID:34977076 + PMID:35303612 + PMID:35661286 + PMID:35727352 + PMID:35809677 + PMID:36006215 + PMID:37767339 + PMID:37837874 + PMID:38222531 + PMID:38322316 + Wikipedia:Lanthanum(III)_chloride + lanthanum trichloride + chebi_ontology + LaCl3 + lanthanum chloride + lanthanum chloride (LaCl3) + lanthanum(III) chloride + CHEBI:231515 + + lanthanum trichloride + + + + + PMID:30116365 + Europe PMC + + + + + PMID:30617363 + Europe PMC + + + + + PMID:31187842 + Europe PMC + + + + + PMID:31776842 + Europe PMC + + + + + PMID:32461997 + Europe PMC + + + + + PMID:33206094 + Europe PMC + + + + + PMID:34688703 + Europe PMC + + + + + PMID:34977076 + Europe PMC + + + + + PMID:35303612 + Europe PMC + + + + + PMID:35661286 + Europe PMC + + + + + PMID:35727352 + Europe PMC + + + + + PMID:35809677 + Europe PMC + + + + + PMID:36006215 + Europe PMC + + + + + PMID:37767339 + Europe PMC + + + + + PMID:37837874 + Europe PMC + + + + + PMID:38222531 + Europe PMC + + + + + PMID:38322316 + Europe PMC + + + + + lanthanum trichloride + IUPAC + + + + + + LaCl3 + ChEBI + + + + + lanthanum chloride + ChEBI + + + + + lanthanum chloride (LaCl3) + ChEBI + + + + + lanthanum(III) chloride + ChEBI + + + + + CAS:10099-58-8 + NIST Chemistry WebBook + + + + + PMID:25048927 + Europe PMC + + + + + PMID:29698762 + Europe PMC + + + + + + + + + + + A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium. + 0 + C4D12Si + InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3 + CZDYPVPMEAXLPK-MGKWXGLJSA-N + 100.298 + 100.14615 + [2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] + CAS:18145-38-5 + tetrakis[((2)H3)methyl]silane + chebi_ontology + (CD3)4Si + TMS-d12 + tetra((2)H3)methylsilane + tetra(methyl-d3)silane + tetrakis(trideuteriomethyl)silane + tetrakis(trideuteromethyl)silane + tetramethylsilane (TMS)-d12 + CHEBI:231529 + + tetramethylsilane-d12 + + + + + CAS:18145-38-5 + ChEBI + + + + + tetrakis[((2)H3)methyl]silane + IUPAC + + + + + + (CD3)4Si + ChEBI + + + + + TMS-d12 + ChEBI + + + + + tetra((2)H3)methylsilane + ChEBI + + + + + tetra(methyl-d3)silane + ChEBI + + + + + tetrakis(trideuteriomethyl)silane + ChEBI + + + + + tetrakis(trideuteromethyl)silane + ChEBI + + + + + tetramethylsilane (TMS)-d12 + ChEBI + + + + + + + + + + 0 + Cl.Cl.Cl.Cl.Cl.Cl.K.Ta + InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6 + WLOUZLJQZAAGJG-UHFFFAOYSA-H + 432.750 + 429.72482 + [Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+] + chebi_ontology + CHEBI:231536 + + Potassium;tantalum(5+);hexachloride + + + + + + + + + + + 0 + O4Re.K + InChI=1S/K.4O.Re/q+1;;;;-1; + QFKRWIFGDGKWLM-UHFFFAOYSA-N + 289.301 + 289.89911 + [Re](=O)(=O)(=O)[O-].[K+] + chebi_ontology + CHEBI:231537 + + Potassium perrhenate + + + + + + + + + + + 0 + NO3.NO3.NO3.Bi + InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1 + PPNKDDZCLDMRHS-UHFFFAOYSA-N + 394.992 + 394.94385 + [Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-] + chebi_ontology + CHEBI:231538 + + Bismut(III)-nitrat + + + + + + + + + + + + 0 + Cl6Nb.K + InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6 + GCHPLIDUVOJGPP-UHFFFAOYSA-H + 344.700 + 341.68319 + [K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl + PMCID:PMC7157447 + potassium hexachloroniobate(1-) + chebi_ontology + KNbCl6 + K[NbCl6] + CHEBI:231541 + + potassium hexachloroniobate(1-) + + + + + PMCID:PMC7157447 + Europe PMC + + + + + potassium hexachloroniobate(1-) + IUPAC + + + + + + KNbCl6 + ChEBI + + + + + K[NbCl6] + ChEBI + + + + + + + + + Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. + molecular entity + chebi_ontology + entidad molecular + entidades moleculares + entite moleculaire + molecular entities + molekulare Entitaet + CHEBI:23367 + + molecular entity + + + + + molecular entity + IUPAC + + + + + + entidad molecular + IUPAC + + + + + entidades moleculares + IUPAC + + + + + entite moleculaire + IUPAC + + + + + molecular entities + IUPAC + + + + + molekulare Entitaet + ChEBI + + + + + + + + + A molecular entity that contains no carbon. + chebi_ontology + anorganische Verbindungen + inorganic compounds + inorganic entity + inorganic molecular entities + inorganics + CHEBI:24835 + + inorganic molecular entity + + + + + anorganische Verbindungen + ChEBI + + + + + inorganic compounds + ChEBI + + + + + inorganic entity + ChEBI + + + + + inorganic molecular entities + ChEBI + + + + + inorganics + ChEBI + + + + + + + + + A molecular entity having a net electric charge. + Ion + ion + chebi_ontology + Ionen + iones + ions + CHEBI:24870 + + ion + + + + + Ion + ChEBI + + + + + ion + ChEBI + + + + + ion + IUPAC + + + + + + Ionen + ChEBI + + + + + iones + ChEBI + + + + + ions + ChEBI + + + + + + + + + + + A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. + 0 + H3O4P + InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) + NBIIXXVUZAFLBC-UHFFFAOYSA-N + 97.99520 + 97.97690 + [H]OP(=O)(O[H])O[H] + CAS:7664-38-2 + Drug_Central:4478 + Gmelin:2000 + HMDB:HMDB0002142 + KEGG:C00009 + KEGG:D05467 + KNApSAcK:C00007408 + PMID:11455380 + PMID:15630224 + PMID:17439666 + PMID:17518491 + PMID:22282755 + PMID:22333268 + PMID:22381614 + PMID:22401268 + Reaxys:1921286 + Wikipedia:Phosphoric_Acid + Phosphoric acid + phosphoric acid + tetraoxophosphoric acid + trihydrogen tetraoxophosphate(3-) + trihydroxidooxidophosphorus + chebi_ontology + H3PO4 + Orthophosphoric acid + Phosphate + Phosphorsaeure + Phosphorsaeureloesungen + [PO(OH)3] + acide phosphorique + acidum phosphoricum + orthophosphoric acid + CHEBI:26078 + + phosphoric acid + + + + + CAS:7664-38-2 + ChemIDplus + + + + + CAS:7664-38-2 + KEGG COMPOUND + + + + + CAS:7664-38-2 + NIST Chemistry WebBook + + + + + Drug_Central:4478 + DrugCentral + + + + + Gmelin:2000 + Gmelin + + + + + PMID:11455380 + Europe PMC + + + + + PMID:15630224 + Europe PMC + + + + + PMID:17439666 + Europe PMC + + + + + PMID:17518491 + Europe PMC + + + + + PMID:22282755 + Europe PMC + + + + + PMID:22333268 + Europe PMC + + + + + PMID:22381614 + Europe PMC + + + + + PMID:22401268 + Europe PMC + + + + + Reaxys:1921286 + Reaxys + + + + + Phosphoric acid + KEGG_COMPOUND + + + + + phosphoric acid + IUPAC + + + + + tetraoxophosphoric acid + IUPAC + + + + + + trihydrogen tetraoxophosphate(3-) + IUPAC + + + + + + trihydroxidooxidophosphorus + IUPAC + + + + + + H3PO4 + IUPAC + + + + + Orthophosphoric acid + KEGG_COMPOUND + + + + + Phosphate + KEGG_COMPOUND + + + + + Phosphorsaeure + ChEBI + + + + + Phosphorsaeureloesungen + ChEBI + + + + + [PO(OH)3] + IUPAC + + + + + acide phosphorique + ChEBI + + + + + acidum phosphoricum + ChEBI + + + + + orthophosphoric acid + NIST_Chemistry_WebBook + + + + + + + + + + + + + + An inorganic chloride salt having sodium(1+) as the counterion. + 0 + ClNa + InChI=1S/ClH.Na/h1H;/q;+1/p-1 + FAPWRFPIFSIZLT-UHFFFAOYSA-M + 58.44247 + 57.95862 + [Na+].[Cl-] + CAS:7647-14-5 + Gmelin:13673 + KEGG:C13563 + KEGG:D02056 + MetaCyc:NACL + PPDB:595 + Reaxys:3534976 + Wikipedia:Sodium_Chloride + sodium chloride + chebi_ontology + Kochsalz + NaCl + Natriumchlorid + chlorure de sodium + cloruro sodico + common salt + halite + natrii chloridum + rock salt + salt + table salt + CHEBI:26710 + + sodium chloride + + + + + CAS:7647-14-5 + ChemIDplus + + + + + CAS:7647-14-5 + KEGG COMPOUND + + + + + CAS:7647-14-5 + NIST Chemistry WebBook + + + + + Gmelin:13673 + Gmelin + + + + + Reaxys:3534976 + Reaxys + + + + + sodium chloride + ChEBI + + + + + sodium chloride + IUPAC + + + + + + Kochsalz + ChEBI + + + + + NaCl + IUPAC + + + + + Natriumchlorid + NIST_Chemistry_WebBook + + + + + chlorure de sodium + ChEBI + + + + + cloruro sodico + ChEBI + + + + + common salt + ChemIDplus + + + + + halite + NIST_Chemistry_WebBook + + + + + natrii chloridum + ChEBI + + + + + rock salt + ChemIDplus + + + + + salt + ChemIDplus + + + + + table salt + ChemIDplus + + + + + + + + + + A diatomic molecule containing covalently bonded hydrogen and fluorine atoms. + 0 + FH + InChI=1S/FH/h1H + KRHYYFGTRYWZRS-UHFFFAOYSA-N + 20.00634 + 20.00623 + F[H] + CAS:7664-39-3 + Drug_Central:4499 + Gmelin:166 + KEGG:C16487 + Hydrogen fluoride + fluorane + fluoridohydrogen + hydrogen fluoride + chebi_ontology + Fluoride + Fluorwasserstoff + HF + Hydrogenfluorid + [HF] + fluorure d'hydrogene + hydrofluoric acid + CHEBI:29228 + + hydrogen fluoride + + + + + CAS:7664-39-3 + ChemIDplus + + + + + CAS:7664-39-3 + KEGG COMPOUND + + + + + CAS:7664-39-3 + NIST Chemistry WebBook + + + + + Drug_Central:4499 + DrugCentral + + + + + Gmelin:166 + Gmelin + + + + + Hydrogen fluoride + KEGG_COMPOUND + + + + + fluorane + IUPAC + + + + + + fluoridohydrogen + IUPAC + + + + + + hydrogen fluoride + IUPAC + + + + + + Fluoride + KEGG_COMPOUND + + + + + Fluorwasserstoff + ChEBI + + + + + HF + IUPAC + + + + + Hydrogenfluorid + ChEBI + + + + + [HF] + IUPAC + + + + + fluorure d'hydrogene + ChEBI + + + + + hydrofluoric acid + ChemIDplus + + + + + + + + + + The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first). + 0 + [1H] + InChI=1S/H/i1+0 + YZCKVEUIGOORGS-IGMARMGPSA-N + 1.008 + 1.00783 + [1H] + protium + chebi_ontology + (1)1H + (1)H + hydrogen-1 + protio + protium + CHEBI:29236 + + protium atom + + + + + protium + IUPAC + + + + + + (1)1H + IUPAC + + + + + (1)H + IUPAC + + + + + hydrogen-1 + ChEBI + + + + + protio + ChEBI + + + + + protium + ChEBI + + + + + + + + + + The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second). + 0 + D + InChI=1S/H2/h1H/i1+1 + UFHFLCQGNIYNRP-OUBTZVSYSA-N + 2.014 + 2.01410 + [2H] + deuterium + chebi_ontology + (2)1H + (2)H + D + Deuterium + deuterio + deuterium + heavy hydrogen + hidrogeno pesado + hydrogen-2 + schwerer Wasserstoff + CHEBI:29237 + + deuterium atom + + + + + deuterium + IUPAC + + + + + + (2)1H + IUPAC + + + + + (2)H + IUPAC + + + + + D + IUPAC + + + + + Deuterium + ChEBI + + + + + deuterio + ChEBI + + + + + deuterium + ChEBI + + + + + heavy hydrogen + ChEBI + + + + + hidrogeno pesado + ChEBI + + + + + hydrogen-2 + ChEBI + + + + + schwerer Wasserstoff + ChEBI + + + + + + + + + + The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third). + 0 + T + InChI=1S/H2/h1H/i1+2 + UFHFLCQGNIYNRP-NJFSPNSNSA-N + 3.016 + 3.01605 + [3H] + tritium + chebi_ontology + (3)1H + (3)H + T + hydrogen-3 + tritio + tritium + ueberschwerer Wasserstoff + CHEBI:29238 + + tritium atom + + + + + tritium + IUPAC + + + + + + (3)1H + IUPAC + + + + + (3)H + IUPAC + + + + + T + IUPAC + + + + + hydrogen-3 + ChEBI + + + + + tritio + ChEBI + + + + + tritium + ChEBI + + + + + ueberschwerer Wasserstoff + ChEBI + + + + + + + + + + 0 + C4H12Pb + InChI=1S/4CH3.Pb/h4*1H3; + XOOGZRUBTYCLHG-UHFFFAOYSA-N + 267.33808 + 268.07055 + C[Pb](C)(C)C + Beilstein:3902986 + CAS:75-74-1 + Gmelin:2491 + tetramethyllead + tetramethylplumbane + chebi_ontology + Bleitetramethyl + PbMe4 + TML + lead tetramethyl + tetramethyl lead + CHEBI:30183 + + tetramethyllead + + + + + Beilstein:3902986 + ChemIDplus + + + + + CAS:75-74-1 + ChemIDplus + + + + + CAS:75-74-1 + NIST Chemistry WebBook + + + + + Gmelin:2491 + Gmelin + + + + + tetramethyllead + IUPAC + + + + + + tetramethylplumbane + IUPAC + + + + + + Bleitetramethyl + ChEBI + + + + + PbMe4 + IUPAC + + + + + TML + NIST_Chemistry_WebBook + + + + + lead tetramethyl + ChemIDplus + + + + + tetramethyl lead + ChemIDplus + + + + + + + + + + The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium. + 0 + [3He] + InChI=1S/He/i1-1 + SWQJXJOGLNCZEY-BJUDXGSMSA-N + 3.016 + 3.01603 + [3He] + CAS:14762-55-1 + Gmelin:14208 + helium-3 + chebi_ontology + (3)2He + (3)He + (3He)helium + helium, isotope of mass 3 + helium-3 + CHEBI:30218 + + helium-3 atom + + + + + CAS:14762-55-1 + ChemIDplus + + + + + Gmelin:14208 + Gmelin + + + + + helium-3 + IUPAC + + + + + + (3)2He + IUPAC + + + + + (3)He + IUPAC + + + + + (3He)helium + ChemIDplus + + + + + helium, isotope of mass 3 + ChemIDplus + + + + + helium-3 + ChEBI + + + + + + + + + + 0 + F2 + InChI=1S/F2/c1-2 + PXGOKWXKJXAPGV-UHFFFAOYSA-N + 37.99681 + 37.99681 + FF + CAS:7782-41-4 + Gmelin:544 + difluorine + chebi_ontology + F2 + bifluoriden + fluorine + CHEBI:30236 + + difluorine + + + + + CAS:7782-41-4 + ChemIDplus + + + + + CAS:7782-41-4 + NIST Chemistry WebBook + + + + + Gmelin:544 + Gmelin + + + + + difluorine + IUPAC + + + + + + F2 + IUPAC + + + + + bifluoriden + NIST_Chemistry_WebBook + + + + + fluorine + NIST_Chemistry_WebBook + + + + + + + + + + + 0 + C5FeO5 + InChI=1S/5CO.Fe/c5*1-2; + FYOFOKCECDGJBF-UHFFFAOYSA-N + 195.89550 + 195.90951 + [O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O] + CAS:13463-40-6 + Gmelin:3567 + Gmelin:3568 + MolBase:49 + pentacarbonyliron + pentacarbonyliron(0) + chebi_ontology + [Fe(CO)5] + iron pentacarbonyl + CHEBI:30251 + + pentacarbonyliron + + + + + CAS:13463-40-6 + ChemIDplus + + + + + CAS:13463-40-6 + NIST Chemistry WebBook + + + + + Gmelin:3567 + Gmelin + + + + + Gmelin:3568 + Gmelin + + + + + pentacarbonyliron + IUPAC + + + + + + pentacarbonyliron(0) + IUPAC + + + + + + [Fe(CO)5] + IUPAC + + + + + iron pentacarbonyl + NIST_Chemistry_WebBook + + + + + + + + + + + 0 + C4NiO4 + InChI=1S/4CO.Ni/c4*1-2; + AWDHUGLHGCVIEG-UHFFFAOYSA-N + 170.73380 + 169.91500 + [O]#C[Ni](C#[O])(C#[O])C#[O] + Beilstein:6122797 + Beilstein:6711606 + CAS:13463-39-3 + Gmelin:101586 + Gmelin:3135 + MolBase:138 + tetracarbonylnickel + tetracarbonylnickel(0) + chebi_ontology + Nickel carbonyl + Nickel tetracarbonyl + [Ni(CO)4] + CHEBI:30372 + + tetracarbonylnickel + + + + + Beilstein:6122797 + Beilstein + + + + + Beilstein:6711606 + Beilstein + + + + + CAS:13463-39-3 + ChemIDplus + + + + + CAS:13463-39-3 + NIST Chemistry WebBook + + + + + Gmelin:101586 + Gmelin + + + + + Gmelin:3135 + Gmelin + + + + + tetracarbonylnickel + IUPAC + + + + + + tetracarbonylnickel(0) + IUPAC + + + + + + Nickel carbonyl + ChemIDplus + + + + + Nickel tetracarbonyl + NIST_Chemistry_WebBook + + + + + [Ni(CO)4] + IUPAC + + + + + + + + + + + + An organotin compound carrying four methyl groups. + 0 + C4H12Sn + InChI=1S/4CH3.Sn/h4*1H3; + VXKWYPOMXBVZSJ-UHFFFAOYSA-N + 178.84808 + 179.99610 + C[Sn](C)(C)C + CAS:594-27-4 + Gmelin:1938 + MolBase:817 + PMID:22007212 + PMID:23320683 + Patent:US4216066 + Reaxys:3647887 + Wikipedia:Tetramethyltin + tetramethylstannane + tetramethyltin + chebi_ontology + (CH3)4Sn + SnMe4 + [SnMe4] + CHEBI:30420 + + tetramethyltin + + + + + CAS:594-27-4 + ChemIDplus + + + + + CAS:594-27-4 + NIST Chemistry WebBook + + + + + Gmelin:1938 + Gmelin + + + + + PMID:22007212 + Europe PMC + + + + + PMID:23320683 + Europe PMC + + + + + Reaxys:3647887 + Reaxys + + + + + tetramethylstannane + IUPAC + + + + + + tetramethyltin + IUPAC + + + + + + (CH3)4Sn + NIST_Chemistry_WebBook + + + + + SnMe4 + IUPAC + + + + + [SnMe4] + MolBase + + + + + + + + + A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years). + 0 + F6S + InChI=1S/F6S/c1-7(2,3,4,5)6 + SFZCNBIFKDRMGX-UHFFFAOYSA-N + 146.050 + 145.96249 + FS(F)(F)(F)(F)F + CAS:2551-62-4 + Drug_Central:4039 + Gmelin:2752 + KEGG:D05962 + MolBase:971 + PMID:25459612 + PMID:25559529 + PMID:25607376 + PMID:25647411 + PMID:25660738 + Reaxys:7247840 + Wikipedia:Sulfur_hexafluoride + hexafluoridosulfur + sulfur hexafluoride + sulfur(6+) fluoride + sulfur(VI) fluoride + chebi_ontology + SF6 + Sonovue + [SF6] + CHEBI:30496 + + sulfur hexafluoride + + + + + CAS:2551-62-4 + ChemIDplus + + + + + CAS:2551-62-4 + NIST Chemistry WebBook + + + + + Drug_Central:4039 + DrugCentral + + + + + Gmelin:2752 + Gmelin + + + + + PMID:25459612 + Europe PMC + + + + + PMID:25559529 + Europe PMC + + + + + PMID:25607376 + Europe PMC + + + + + PMID:25647411 + Europe PMC + + + + + PMID:25660738 + Europe PMC + + + + + Reaxys:7247840 + Reaxys + + + + + hexafluoridosulfur + IUPAC + + + + + + sulfur hexafluoride + IUPAC + + + + + + sulfur(6+) fluoride + IUPAC + + + + + + sulfur(VI) fluoride + IUPAC + + + + + + SF6 + IUPAC + + + + + Sonovue + KEGG_DRUG + + + + + + [SF6] + MolBase + + + + + + + + + + + + 0 + C2H6Hg + InChI=1S/2CH3.Hg/h2*1H3; + ATZBPOVXVPIOMR-UHFFFAOYSA-N + 230.65904 + 232.01759 + C[Hg]C + Beilstein:3600205 + CAS:593-74-8 + Gmelin:25889 + MolBase:298 + dimethylmercury + chebi_ontology + Dimethyl mercury + [HgMe2] + CHEBI:30786 + + dimethylmercury + + + + + Beilstein:3600205 + Beilstein + + + + + CAS:593-74-8 + ChemIDplus + + + + + CAS:593-74-8 + NIST Chemistry WebBook + + + + + Gmelin:25889 + Gmelin + + + + + dimethylmercury + IUPAC + + + + + + Dimethyl mercury + ChemIDplus + + + + + [HgMe2] + MolBase + + + + + + + + + + + + + 0 + AgNO3 + InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1 + SQGYOTSLMSWVJD-UHFFFAOYSA-N + 169.87314 + 168.89291 + [Ag+].[O-]N(=O)=O + CAS:7761-88-8 + Gmelin:23909 + KEGG:D01730 + Wikipedia:Silver_nitrate + silver mononitrate + silver(1+) nitrate + silver(I) nitrate + chebi_ontology + AgNO3 + nitric acid silver(I) salt + silver nitrate + CHEBI:32130 + + silver(1+) nitrate + + + + + CAS:7761-88-8 + ChemIDplus + + + + + Gmelin:23909 + Gmelin + + + + + silver mononitrate + IUPAC + + + + + + silver(1+) nitrate + IUPAC + + + + + + silver(I) nitrate + IUPAC + + + + + + AgNO3 + IUPAC + + + + + nitric acid silver(I) salt + ChemIDplus + + + + + silver nitrate + ChemIDplus + + + + + + + + + + + + + + + A metal chloride salt with a K(+) counterion. + 0 + ClK + InChI=1S/ClH.K/h1H;/q;+1/p-1 + WCUXLLCKKVVCTQ-UHFFFAOYSA-M + 74.55100 + 73.93256 + [Cl-].[K+] + CAS:7447-40-7 + DrugBank:DB00761 + KEGG:D02060 + MetaCyc:KCL + MolBase:881 + Reaxys:3534978 + Wikipedia:Potassium_Chloride + potassium chloride + chebi_ontology + KCl + Kaliumchlorid + Kaon-Cl 10 + Klor-con + Klotrix + Monopotassium chloride + [KCl] + muriate of potash + sylvite + CHEBI:32588 + + potassium chloride + + + + + CAS:7447-40-7 + ChemIDplus + + + + + CAS:7447-40-7 + NIST Chemistry WebBook + + + + + Reaxys:3534978 + Reaxys + + + + + potassium chloride + IUPAC + + + + + + KCl + IUPAC + + + + + Kaliumchlorid + ChEBI + + + + + Kaon-Cl 10 + KEGG_DRUG + + + + + + Klor-con + KEGG_DRUG + + + + + + Klotrix + KEGG_DRUG + + + + + + Monopotassium chloride + DrugBank + + + + + [KCl] + MolBase + + + + + muriate of potash + NIST_Chemistry_WebBook + + + + + sylvite + ChEBI + + + + + + + + + + 0 + C2H3NaO2 + InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 + VMHLLURERBWHNL-UHFFFAOYSA-M + 82.03379 + 82.00307 + [Na+].CC([O-])=O + Beilstein:3595639 + CAS:127-09-3 + Gmelin:20502 + Wikipedia:Sodium_Acetate + sodium acetate + chebi_ontology + Natriumazetat + acetic acid, sodium salt + anhydrous sodium acetate + sodium acetate anhydrous + CHEBI:32954 + + sodium acetate + + + + + Beilstein:3595639 + Beilstein + + + + + CAS:127-09-3 + ChemIDplus + + + + + Gmelin:20502 + Gmelin + + + + + sodium acetate + IUPAC + + + + + + Natriumazetat + ChEBI + + + + + acetic acid, sodium salt + ChemIDplus + + + + + anhydrous sodium acetate + ChemIDplus + + + + + sodium acetate anhydrous + ChemIDplus + + + + + + + + + + + + + 0 + CaCl2 + InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2 + UXVMQQNJUSDDNG-UHFFFAOYSA-L + 110.98340 + 109.90030 + [Cl-].[Cl-].[Ca++] + AGR:IND607339542 + CAS:10043-52-4 + DrugBank:DB01164 + FooDB:FDB015404 + HMDB:HMDB0303526 + KEGG:C08130 + MetaCyc:CPD0-1589 + MolBase:1869 + PMID:11057678 + PMID:13333715 + PMID:32018153 + PMID:32441097 + PMID:34618995 + PMID:34981086 + PMID:35159430 + PMID:35159592 + PMID:35200459 + PMID:35260323 + PPDB:109 + Wikipedia:Calcium_Chloride + calcium chloride + calcium dichloride + chebi_ontology + CaCl2 + Calcium chloride anhydrous + [CaCl2] + calcium chloride anhydrous + CHEBI:3312 + + calcium dichloride + + + + + AGR:IND607339542 + Europe PMC + + + + + CAS:10043-52-4 + ChemIDplus + + + + + CAS:10043-52-4 + KEGG COMPOUND + + + + + CAS:10043-52-4 + NIST Chemistry WebBook + + + + + PMID:11057678 + Europe PMC + + + + + PMID:13333715 + Europe PMC + + + + + PMID:32018153 + Europe PMC + + + + + PMID:32441097 + Europe PMC + + + + + PMID:34618995 + Europe PMC + + + + + PMID:34981086 + Europe PMC + + + + + PMID:35159430 + Europe PMC + + + + + PMID:35159592 + Europe PMC + + + + + PMID:35200459 + Europe PMC + + + + + PMID:35260323 + Europe PMC + + + + + calcium chloride + IUPAC + + + + + + calcium dichloride + IUPAC + + + + + + CaCl2 + IUPAC + + + + + Calcium chloride anhydrous + KEGG_COMPOUND + + + + + [CaCl2] + MolBase + + + + + calcium chloride anhydrous + ChemIDplus + + + + + + + + + Intended use of the molecular entity or part thereof by humans. + chebi_ontology + CHEBI:33232 + + application + + + + + + + + + + + + + + + A chemical entity constituting the smallest component of an element having the chemical properties of the element. + CHEBI:22671 + CHEBI:23907 + atom + chebi_ontology + atome + atomo + atoms + atomus + element + elements + CHEBI:33250 + + atom + + + + + atom + IUPAC + + + + + + atome + IUPAC + + + + + atomo + IUPAC + + + + + atoms + ChEBI + + + + + atomus + ChEBI + + + + + element + ChEBI + + + + + elements + ChEBI + + + + + + + + + A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. + nucleus + chebi_ontology + Atomkern + Kern + noyau + noyau atomique + nuclei + nucleo + nucleo atomico + nucleus atomi + CHEBI:33252 + + atomic nucleus + + + + + nucleus + IUPAC + + + + + + Atomkern + ChEBI + + + + + Kern + ChEBI + + + + + noyau + IUPAC + + + + + noyau atomique + ChEBI + + + + + nuclei + ChEBI + + + + + nucleo + IUPAC + + + + + nucleo atomico + ChEBI + + + + + nucleus atomi + ChEBI + + + + + + + + + A molecular entity all atoms of which have the same atomic number. + chebi_ontology + homoatomic entity + homoatomic molecular entities + homoatomic molecular entity + CHEBI:33259 + + elemental molecular entity + + + + + homoatomic entity + ChEBI + + + + + homoatomic molecular entities + ChEBI + + + + + homoatomic molecular entity + ChEBI + + + + + + + + + + + 0 + Ne + InChI=1S/Ne + GKAOGPIIYCISHV-UHFFFAOYSA-N + 20.17970 + 19.99244 + [Ne] + CAS:7440-01-9 + WebElements:Ne + neon + chebi_ontology + 10Ne + Ne + Neon + neon + CHEBI:33310 + + neon atom + + + + + CAS:7440-01-9 + ChemIDplus + + + + + neon + IUPAC + + + + + + 10Ne + IUPAC + + + + + Ne + ChEBI + + + + + Neon + ChEBI + + + + + neon + ChEBI + + + + + + + + + 0 + [99Tc] + InChI=1S/Tc/i1+1 + GKLVYJBZJHMRIY-OUBTZVSYSA-N + 98.906 + 98.90625 + [99Tc] + CAS:14133-76-7 + Gmelin:41657 + technetium-99 + chebi_ontology + (99)43Tc + (99)Tc + technetium, isotope of mass 99 + CHEBI:33371 + + technetium-99 + + + + + CAS:14133-76-7 + ChemIDplus + + + + + Gmelin:41657 + Gmelin + + + + + technetium-99 + IUPAC + + + + + + (99)43Tc + IUPAC + + + + + (99)Tc + IUPAC + + + + + technetium, isotope of mass 99 + ChemIDplus + + + + + + + + + A molecular entity containing one or more atoms of a transition element. + chebi_ontology + transition element molecular entities + transition metal molecular entity + CHEBI:33497 + + transition element molecular entity + + + + + transition element molecular entities + ChEBI + + + + + transition metal molecular entity + ChEBI + + + + + + + + + A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. + chebi_ontology + main group compounds + main group molecular entities + CHEBI:33579 + + main group molecular entity + + + + + main group compounds + ChEBI + + + + + main group molecular entities + ChEBI + + + + + + + + + + + 0 + He + InChI=1S/He + SWQJXJOGLNCZEY-UHFFFAOYSA-N + 4.00260 + 4.00260 + [He] + CAS:7440-59-7 + MolBase:922 + PMID:24383961 + PMID:24406316 + PMID:24430541 + PMID:24553240 + Wikipedia:Helium + helium(0) + chebi_ontology + E 939 + E-939 + E939 + He + [He] + atomic helium + helium + CHEBI:33681 + + helium(0) + + + + + CAS:7440-59-7 + ChemIDplus + + + + + PMID:24383961 + Europe PMC + + + + + PMID:24406316 + Europe PMC + + + + + PMID:24430541 + Europe PMC + + + + + PMID:24553240 + Europe PMC + + + + + helium(0) + IUPAC + + + + + + E 939 + ChEBI + + + + + E-939 + ChEBI + + + + + E939 + ChEBI + + + + + He + IUPAC + + + + + [He] + MolBase + + + + + atomic helium + ChemIDplus + + + + + helium + IUPAC + + + + + + + + + The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen. + 0 + [17O] + InChI=1S/O/i1+1 + QVGXLLKOCUKJST-OUBTZVSYSA-N + 16.999 + 16.99913 + [17O] + CAS:13968-48-4 + Gmelin:17561 + oxygen-17 + chebi_ontology + (17)8O + (17)O + oxygen, isotope of mass 17 + oxygen-17 + CHEBI:33819 + + oxygen-17 atom + + + + + CAS:13968-48-4 + ChemIDplus + + + + + Gmelin:17561 + Gmelin + + + + + oxygen-17 + IUPAC + + + + + + (17)8O + IUPAC + + + + + (17)O + IUPAC + + + + + oxygen, isotope of mass 17 + ChemIDplus + + + + + oxygen-17 + ChEBI + + + + + + + + + + An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family. + 0 + C4H9NO + InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2 + YNAVUWVOSKDBBP-UHFFFAOYSA-N + 87.122 + 87.06841 + C1COCCN1 + Beilstein:102549 + CAS:110-91-8 + Chemspider:13837537 + DrugBank:DB13669 + FooDB:FDB008207 + Gmelin:1803 + HMDB:HMDB0031581 + KEGG:C14452 + PDBeChem:6LR + PMID:15017096 + PMID:2699898 + PMID:31512284 + PMID:31978684 + PMID:32017384 + PMID:33459557 + Wikipedia:Morpholine + Morpholine + morpholine + chebi_ontology + 1,4-oxazinane + 1-oxa-4-azacyclohexane + diethylene imidoxide + diethylene oximide + diethylenimide oxide + tetrahydro-1,4-oxazine + tetrahydro-p-oxazine + CHEBI:34856 + + morpholine + + + + + Beilstein:102549 + Beilstein + + + + + CAS:110-91-8 + ChemIDplus + + + + + CAS:110-91-8 + KEGG COMPOUND + + + + + CAS:110-91-8 + NIST Chemistry WebBook + + + + + Gmelin:1803 + Gmelin + + + + + PMID:15017096 + Europe PMC + + + + + PMID:2699898 + Europe PMC + + + + + PMID:31512284 + Europe PMC + + + + + PMID:31978684 + Europe PMC + + + + + PMID:32017384 + Europe PMC + + + + + PMID:33459557 + Europe PMC + + + + + Morpholine + KEGG_COMPOUND + + + + + morpholine + IUPAC + + + + + + 1,4-oxazinane + ChEBI + + + + + 1-oxa-4-azacyclohexane + ChemIDplus + + + + + diethylene imidoxide + ChemIDplus + + + + + diethylene oximide + ChemIDplus + + + + + diethylenimide oxide + ChemIDplus + + + + + tetrahydro-1,4-oxazine + KEGG_COMPOUND + + + + + tetrahydro-p-oxazine + ChemIDplus + + + + + + + + + Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds. + mancude-ring systems + chebi_ontology + mancude rings + mancunide-ring systems + CHEBI:35568 + + mancude ring + + + + + mancude-ring systems + IUPAC + + + + + + mancude rings + ChEBI + + + + + mancunide-ring systems + IUPAC + + + + + + + + + Any molecular entity consisting of more than one atom. + chebi_ontology + polyatomic entities + CHEBI:36357 + + polyatomic entity + + + + + polyatomic entities + ChEBI + + + + + + + + + + + + 0 + Cl2Sr + InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2 + AHBGXTDRMVNFER-UHFFFAOYSA-L + 158.52540 + 157.84332 + [Cl-].[Cl-].[Sr++] + CAS:10476-85-4 + Gmelin:463924 + strontium chloride + strontium dichloride + chebi_ontology + SrCl2 + CHEBI:36383 + + strontium dichloride + + + + + CAS:10476-85-4 + ChemIDplus + + + + + CAS:10476-85-4 + NIST Chemistry WebBook + + + + + Gmelin:463924 + Gmelin + + + + + strontium chloride + IUPAC + + + + + + strontium dichloride + IUPAC + + + + + + SrCl2 + IUPAC + + + + + + + + + + A phosphine oxide in which the substituents on phosphorus are three phenyl groups. + 0 + C18H15OP + InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H + FIQMHBFVRAXMOP-UHFFFAOYSA-N + 278.28486 + 278.08605 + O=P(c1ccccc1)(c1ccccc1)c1ccccc1 + CAS:791-28-6 + Gmelin:6758 + PMID:24280613 + PMID:24285309 + Reaxys:745854 + Wikipedia:Triphenylphosphine_oxide + triphenyl-lambda(5)-phosphanone + triphenylphosphane oxide + chebi_ontology + Triphenylphosphanoxid + triphenyl phosphine oxide + triphenyl phosphorus oxide + triphenylphosphanoxide + triphenylphosphine oxide + CHEBI:36601 + + triphenylphosphane oxide + + + + + CAS:791-28-6 + ChemIDplus + + + + + CAS:791-28-6 + NIST Chemistry WebBook + + + + + Gmelin:6758 + Gmelin + + + + + PMID:24280613 + Europe PMC + + + + + PMID:24285309 + Europe PMC + + + + + Reaxys:745854 + Reaxys + + + + + triphenyl-lambda(5)-phosphanone + IUPAC + + + + + + triphenylphosphane oxide + IUPAC + + + + + + Triphenylphosphanoxid + NIST_Chemistry_WebBook + + + + + triphenyl phosphine oxide + ChemIDplus + + + + + triphenyl phosphorus oxide + ChemIDplus + + + + + triphenylphosphanoxide + NIST_Chemistry_WebBook + + + + + triphenylphosphine oxide + ChemIDplus + + + + + + + + + + A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. + 0 + C7H5F3 + InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H + GETTZEONDQJALK-UHFFFAOYSA-N + 146.10980 + 146.03433 + FC(F)(F)c1ccccc1 + CAS:98-08-8 + Gmelin:3670 + PMID:11671431 + PMID:20958547 + PMID:24267073 + PMID:24669762 + Reaxys:1906908 + (trifluoromethyl)benzene + chebi_ontology + C6H5CF3 + CF3Ph + PhCF3 + alpha,alpha,alpha-trifluorotoluene + benzotrifluoride + omega-trifluorotoluene + phenylfluoroform + trifluoromethylbenzene + CHEBI:36810 + + (trifluoromethyl)benzene + + + + + CAS:98-08-8 + ChemIDplus + + + + + CAS:98-08-8 + NIST Chemistry WebBook + + + + + Gmelin:3670 + Gmelin + + + + + PMID:11671431 + Europe PMC + + + + + PMID:20958547 + Europe PMC + + + + + PMID:24267073 + Europe PMC + + + + + PMID:24669762 + Europe PMC + + + + + Reaxys:1906908 + Reaxys + + + + + (trifluoromethyl)benzene + IUPAC + + + + + + C6H5CF3 + ChEBI + + + + + CF3Ph + ChEBI + + + + + PhCF3 + ChEBI + + + + + alpha,alpha,alpha-trifluorotoluene + NIST_Chemistry_WebBook + + + + + benzotrifluoride + ChemIDplus + + + + + omega-trifluorotoluene + NIST_Chemistry_WebBook + + + + + phenylfluoroform + NIST_Chemistry_WebBook + + + + + trifluoromethylbenzene + ChemIDplus + + + + + + + + + 0 + [13C] + InChI=1S/C/i1+1 + OKTJSMMVPCPJKN-OUBTZVSYSA-N + 13.003 + 13.00335 + [13C] + CAS:14762-74-4 + carbon-13 + carbon-13 atom + chebi_ontology + (13)6C + (13)C + carbon, isotope of mass 13 + carbon-13 + CHEBI:36928 + + carbon-13 atom + + + + + CAS:14762-74-4 + ChemIDplus + + + + + carbon-13 + IUPAC + + + + + + carbon-13 atom + ChemIDplus + + + + + (13)6C + IUPAC + + + + + (13)C + IUPAC + + + + + carbon, isotope of mass 13 + ChemIDplus + + + + + carbon-13 + ChEBI + + + + + + + + + The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen. + 0 + [15N] + InChI=1S/N/i1+1 + QJGQUHMNIGDVPM-OUBTZVSYSA-N + 15.000 + 15.00011 + [15N] + CAS:14390-96-6 + nitrogen-15 + chebi_ontology + (15)7N + (15)N + nitrogen, isotope of mass 15 + nitrogen-15 + CHEBI:36934 + + nitrogen-15 atom + + + + + CAS:14390-96-6 + ChemIDplus + + + + + nitrogen-15 + IUPAC + + + + + + (15)7N + IUPAC + + + + + (15)N + IUPAC + + + + + nitrogen, isotope of mass 15 + ChemIDplus + + + + + nitrogen-15 + ChEBI + + + + + + + + + The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen. + 0 + [14N] + InChI=1S/N/i1+0 + QJGQUHMNIGDVPM-IGMARMGPSA-N + 14.003 + 14.00307 + [14N] + nitrogen-14 + chebi_ontology + (14)7N + (14)N + nitrogen-14 + CHEBI:36938 + + nitrogen-14 atom + + + + + nitrogen-14 + IUPAC + + + + + + (14)7N + IUPAC + + + + + (14)N + IUPAC + + + + + nitrogen-14 + ChEBI + + + + + + + + + The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2. + 0 + [19F] + InChI=1S/F/i1+0 + YCKRFDGAMUMZLT-IGMARMGPSA-N + 18.998 + 18.99840 + [19F] + fluorine-19 + chebi_ontology + (19)9F + (19)F + fluorine-19 + CHEBI:36940 + + fluorine-19 atom + + + + + fluorine-19 + IUPAC + + + + + + (19)9F + IUPAC + + + + + (19)F + ChEBI + + + + + fluorine-19 + ChEBI + + + + + + + + + The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2. + 0 + [27Al] + InChI=1S/Al/i1+0 + XAGFODPZIPBFFR-IGMARMGPSA-N + 26.982 + 26.98154 + [27Al] + aluminium-27 + chebi_ontology + (27)13Al + (27)Al + aluminium-27 + aluminum, isotope of mass 27 + aluminum-27 + CHEBI:37968 + + aluminium-27 atom + + + + + aluminium-27 + IUPAC + + + + + + (27)13Al + IUPAC + + + + + (27)Al + IUPAC + + + + + aluminium-27 + ChEBI + + + + + aluminum, isotope of mass 27 + ChEBI + + + + + aluminum-27 + ChEBI + + + + + + + + + The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2. + 0 + [31P] + InChI=1S/P/i1+0 + OAICVXFJPJFONN-IGMARMGPSA-N + 30.974 + 30.97376 + [31P] + phosphorus-31 + chebi_ontology + (31)15P + (31)P + phosphorus-31 + CHEBI:37971 + + phosphorus-31 atom + + + + + phosphorus-31 + IUPAC + + + + + + (31)15P + IUPAC + + + + + (31)P + IUPAC + + + + + phosphorus-31 + ChEBI + + + + + + + + + The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2. + 0 + [29Si] + InChI=1S/Si/i1+1 + XUIMIQQOPSSXEZ-OUBTZVSYSA-N + 28.976 + 28.97649 + [29Si] + silicon-29 + chebi_ontology + (29)14Si + (29)Si + silicon-29 + CHEBI:37974 + + silicon-29 atom + + + + + silicon-29 + IUPAC + + + + + + (29)14Si + IUPAC + + + + + (29)Si + IUPAC + + + + + silicon-29 + ChEBI + + + + + + + + + The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2. + 0 + [33S] + InChI=1S/S/i1+1 + NINIDFKCEFEMDL-OUBTZVSYSA-N + 32.971 + 32.97146 + [33S] + CAS:14257-58-0 + sulfur-33 + chebi_ontology + (33)16S + (33)S + sulfur, isotope of mass 33 + sulfur-33 + sulphur-33 + CHEBI:37980 + + sulfur-33 atom + + + + + CAS:14257-58-0 + ChemIDplus + + + + + sulfur-33 + IUPAC + + + + + + (33)16S + IUPAC + + + + + (33)S + IUPAC + + + + + sulfur, isotope of mass 33 + ChemIDplus + + + + + sulfur-33 + ChEBI + + + + + sulphur-33 + ChEBI + + + + + + + + + + A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. + 0 + C2H3N + InChI=1S/C2H3N/c1-2-3/h1H3 + WEVYAHXRMPXWCK-UHFFFAOYSA-N + 41.05196 + 41.02655 + CC#N + CHEBI:22185 + CHEBI:30972 + CHEBI:41432 + Beilstein:741857 + CAS:75-05-8 + Gmelin:895 + PDBeChem:CCN + PMID:17347819 + PMID:19100763 + PMID:20370615 + PMID:985423 + PPDB:1349 + Reaxys:741857 + Wikipedia:Acetonitrile + ACETONITRILE + acetonitrile + chebi_ontology + CH3-C#N + MeCN + NCMe + cyanomethane + ethanenitrile + methyl cyanide + CHEBI:38472 + + acetonitrile + + + + + Beilstein:741857 + Beilstein + + + + + CAS:75-05-8 + ChemIDplus + + + + + CAS:75-05-8 + NIST Chemistry WebBook + + + + + Gmelin:895 + Gmelin + + + + + PMID:17347819 + Europe PMC + + + + + PMID:19100763 + Europe PMC + + + + + PMID:20370615 + Europe PMC + + + + + PMID:985423 + Europe PMC + + + + + Reaxys:741857 + Reaxys + + + + + ACETONITRILE + PDBeChem + + + + + acetonitrile + IUPAC + + + + + + CH3-C#N + IUPAC + + + + + MeCN + IUPAC + + + + + NCMe + ChEBI + + + + + cyanomethane + NIST_Chemistry_WebBook + + + + + ethanenitrile + NIST_Chemistry_WebBook + + + + + methyl cyanide + IUPAC + + + + + + + + + + 0 + C6H4F2 + InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H + QUGUFLJIAFISSW-UHFFFAOYSA-N + 114.09277 + 114.02811 + Fc1ccc(F)cc1 + Beilstein:1904541 + CAS:540-36-3 + Gmelin:142070 + 1,4-difluorobenzene + chebi_ontology + 1,4-Difluorbenzol + p-difluorobenzene + para-difluorobenzene + CHEBI:38585 + + 1,4-difluorobenzene + + + + + Beilstein:1904541 + Beilstein + + + + + CAS:540-36-3 + ChemIDplus + + + + + CAS:540-36-3 + NIST Chemistry WebBook + + + + + Gmelin:142070 + Gmelin + + + + + 1,4-difluorobenzene + IUPAC + + + + + + 1,4-Difluorbenzol + ChEBI + + + + + p-difluorobenzene + ChemIDplus + + + + + para-difluorobenzene + NIST_Chemistry_WebBook + + + + + + + + + + + A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine. + 0 + C6F6 + InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9 + ZQBFAOFFOQMSGJ-UHFFFAOYSA-N + 186.05462 + 185.99042 + Fc1c(F)c(F)c(F)c(F)c1F + Beilstein:1683438 + CAS:392-56-3 + Gmelin:101976 + PMID:23869742 + PMID:24050348 + PMID:25416887 + PMID:26910443 + PMID:27043131 + PMID:27133442 + PMID:27557055 + PMID:33582441 + PMID:33938749 + PMID:37272941 + PMID:38193267 + PMID:38221873 + Wikipedia:Hexafluorobenzene + hexafluorobenzene + chebi_ontology + 1,2,3,4,5,6-hexafluorobenzene + Hexafluorbenzol + perfluorobenzene + CHEBI:38589 + + hexafluorobenzene + + + + + + true + + + + + Beilstein:1683438 + Beilstein + + + + + CAS:392-56-3 + ChemIDplus + + + + + CAS:392-56-3 + NIST Chemistry WebBook + + + + + Gmelin:101976 + Gmelin + + + + + PMID:23869742 + Europe PMC + + + + + PMID:24050348 + Europe PMC + + + + + PMID:25416887 + Europe PMC + + + + + PMID:26910443 + Europe PMC + + + + + PMID:27043131 + Europe PMC + + + + + PMID:27133442 + Europe PMC + + + + + PMID:27557055 + Europe PMC + + + + + PMID:33582441 + Europe PMC + + + + + PMID:33938749 + Europe PMC + + + + + PMID:37272941 + Europe PMC + + + + + PMID:38193267 + Europe PMC + + + + + PMID:38221873 + Europe PMC + + + + + hexafluorobenzene + IUPAC + + + + + + 1,2,3,4,5,6-hexafluorobenzene + NIST_Chemistry_WebBook + + + + + Hexafluorbenzol + ChEBI + + + + + perfluorobenzene + ChemIDplus + + + + + + + + + + A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. + 0 + C3F6O + InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9 + VBZWSGALLODQNC-UHFFFAOYSA-N + 166.02192 + 165.98533 + FC(F)(F)C(=O)C(F)(F)F + CAS:684-16-2 + Gmelin:27263 + PMID:22481381 + PMID:24186328 + Patent:CN102964231 + Patent:CN102976908 + Reaxys:607236 + Wikipedia:Hexafluoroacetone + 1,1,1,3,3,3-hexafluoroacetone + chebi_ontology + (CF3)2CO + 1,1,1,3,3,3-hexafluoro-2-propanone + 6FK + hexafluoropropanone + perfluoro-2-propanone + perfluoroacetone + CHEBI:39429 + + hexafluoroacetone + + + + + CAS:684-16-2 + ChemIDplus + + + + + CAS:684-16-2 + NIST Chemistry WebBook + + + + + Gmelin:27263 + Gmelin + + + + + PMID:22481381 + Europe PMC + + + + + PMID:24186328 + Europe PMC + + + + + Reaxys:607236 + Reaxys + + + + + 1,1,1,3,3,3-hexafluoroacetone + IUPAC + + + + + + (CF3)2CO + NIST_Chemistry_WebBook + + + + + 1,1,1,3,3,3-hexafluoro-2-propanone + ChemIDplus + + + + + 6FK + ChemIDplus + + + + + hexafluoropropanone + NIST_Chemistry_WebBook + + + + + perfluoro-2-propanone + ChemIDplus + + + + + perfluoroacetone + ChemIDplus + + + + + + + + + + + + + + 0 + D2O + InChI=1S/H2O/h1H2/i/hD2 + XLYOFNOQVPJJNP-ZSJDYOACSA-N + 20.027 + 20.02312 + [2H]O[2H] + CHEBI:29373 + CHEBI:41979 + CAS:7789-20-0 + Gmelin:97 + MolBase:1647 + PDBeChem:DOD + dideuterium oxide + chebi_ontology + ((2)H2)water + D2O + DEUTERATED WATER + Deuteriumoxid + [OD2] + deuterium oxide + heavy water + schweres Wasser + CHEBI:41981 + + dideuterium oxide + + + + + + true + + + + + CAS:7789-20-0 + ChemIDplus + + + + + CAS:7789-20-0 + NIST Chemistry WebBook + + + + + Gmelin:97 + Gmelin + + + + + dideuterium oxide + IUPAC + + + + + + ((2)H2)water + IUPAC + + + + + D2O + IUPAC + + + + + DEUTERATED WATER + PDBeChem + + + + + Deuteriumoxid + ChEBI + + + + + [OD2] + MolBase + + + + + deuterium oxide + ChemIDplus + + + + + heavy water + NIST_Chemistry_WebBook + + + + + schweres Wasser + ChEBI + + + + + + + + + + A monocarboxylic acid that is the trifluoro derivative of acetic acid. + 0 + C2HF3O2 + InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) + DTQVDTLACAAQTR-UHFFFAOYSA-N + 114.02335 + 113.99286 + OC(=O)C(F)(F)F + CHEBI:27111 + CAS:76-05-1 + Gmelin:2729 + HMDB:HMDB0014118 + PMID:11498800 + PMID:7696372 + Reaxys:742035 + Wikipedia:Trifluoroacetic_acid + trifluoroacetic acid + chebi_ontology + CF3COOH + TFA + Trifluoressigsaeure + acide trifluoroacetique + perfluoroacetic acid + CHEBI:45892 + + trifluoroacetic acid + + + + + CAS:76-05-1 + ChemIDplus + + + + + CAS:76-05-1 + NIST Chemistry WebBook + + + + + Gmelin:2729 + Gmelin + + + + + PMID:11498800 + Europe PMC + + + + + PMID:7696372 + Europe PMC + + + + + Reaxys:742035 + Reaxys + + + + + trifluoroacetic acid + IUPAC + + + + + + CF3COOH + NIST_Chemistry_WebBook + + + + + TFA + ChEBI + + + + + Trifluoressigsaeure + ChEBI + + + + + acide trifluoroacetique + ChEBI + + + + + perfluoroacetic acid + NIST_Chemistry_WebBook + + + + + + + + + + An organoselenium compound of two methyl groups covalently bound to a selenium. + 0 + C2H6Se + InChI=1S/C2H6Se/c1-3-2/h1-2H3 + RVIXKDRPFPUUOO-UHFFFAOYSA-N + 109.03000 + 109.96347 + C[Se]C + CAS:593-79-3 + HMDB:HMDB0033212 + KEGG:C02535 + MetaCyc:CPD-12005 + PMID:15150252 + PMID:15233545 + PMID:1652783 + PMID:20152423 + PMID:21069149 + PMID:23454698 + PMID:23590617 + PMID:24241025 + PMID:4851946 + PMID:5079352 + PMID:8179331 + Reaxys:1696848 + (methylselanyl)methane + dimethyl selenide + chebi_ontology + (CH3)2Se + Dimethylselenium + Methyl selenide + Methyl selenium + Selenium dimethyl + Selenobismethane + CHEBI:4610 + + dimethylselenide + + + + + CAS:593-79-3 + ChemIDplus + + + + + CAS:593-79-3 + KEGG COMPOUND + + + + + CAS:593-79-3 + NIST Chemistry WebBook + + + + + PMID:15150252 + Europe PMC + + + + + PMID:15233545 + Europe PMC + + + + + PMID:1652783 + Europe PMC + + + + + PMID:20152423 + Europe PMC + + + + + PMID:21069149 + Europe PMC + + + + + PMID:23454698 + Europe PMC + + + + + PMID:23590617 + Europe PMC + + + + + PMID:24241025 + Europe PMC + + + + + PMID:4851946 + Europe PMC + + + + + PMID:5079352 + Europe PMC + + + + + PMID:8179331 + Europe PMC + + + + + Reaxys:1696848 + Reaxys + + + + + (methylselanyl)methane + IUPAC + + + + + + dimethyl selenide + IUPAC + + + + + + (CH3)2Se + NIST_Chemistry_WebBook + + + + + Dimethylselenium + ChemIDplus + + + + + Methyl selenide + ChemIDplus + + + + + Methyl selenium + ChemIDplus + + + + + Selenium dimethyl + NIST_Chemistry_WebBook + + + + + Selenobismethane + HMDB + + + + + + + + + + + An organotellurium compound in which the tellurium atom is covalently bonded to two methyl groups. A xenobiotic metabolite produced by certain strains of bacteria exposed to tellurium containing compounds. + 0 + C2H6Te + InChI=1S/C2H6Te/c1-3-2/h1-2H3 + YMUZFVVKDBZHGP-UHFFFAOYSA-N + 157.66904 + 159.95317 + C[Te]C + CAS:593-80-6 + Gmelin:1480 + KEGG:C02677 + PMID:5079352 + PMID:9096851 + Reaxys:1696849 + Wikipedia:Dimethyl_telluride + Dimethyl telluride + dimethyl telluride + dimethyltellane + dimethyltellurium + chebi_ontology + Dimethyltelluride + TeMe2 + CHEBI:4613 + + dimethyl telluride + + + + + CAS:593-80-6 + ChemIDplus + + + + + CAS:593-80-6 + KEGG COMPOUND + + + + + CAS:593-80-6 + NIST Chemistry WebBook + + + + + Gmelin:1480 + Gmelin + + + + + PMID:5079352 + Europe PMC + + + + + PMID:9096851 + Europe PMC + + + + + Reaxys:1696849 + Reaxys + + + + + Dimethyl telluride + KEGG_COMPOUND + + + + + dimethyl telluride + IUPAC + + + + + + dimethyltellane + IUPAC + + + + + + dimethyltellurium + IUPAC + + + + + + Dimethyltelluride + NIST_Chemistry_WebBook + + + + + TeMe2 + IUPAC + + + + + + + + + + + A trialkyl phosphate that is the trimethyl ester of phosphoric acid. + 0 + C3H9O4P + InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3 + WVLBCYQITXONBZ-UHFFFAOYSA-N + 140.07492 + 140.02385 + COP(=O)(OC)OC + CAS:512-56-1 + Gmelin:49926 + PDBeChem:TZZ + PMID:17083219 + PMID:18409209 + Reaxys:1071731 + Wikipedia:Trimethyl_phosphate + TRIMETHYL PHOSPHATE + trimethyl phosphate + chebi_ontology + O,O,O-Trimethyl phosphate + Phosphoric acid, trimethyl ester + TMP + TMPA + TMPO + Trimethoxyphosphine oxide + Trimethyl orthophosphate + CHEBI:46324 + + trimethyl phosphate + + + + + CAS:512-56-1 + ChemIDplus + + + + + CAS:512-56-1 + NIST Chemistry WebBook + + + + + Gmelin:49926 + Gmelin + + + + + PMID:17083219 + Europe PMC + + + + + PMID:18409209 + Europe PMC + + + + + Reaxys:1071731 + Reaxys + + + + + TRIMETHYL PHOSPHATE + PDBeChem + + + + + trimethyl phosphate + IUPAC + + + + + + O,O,O-Trimethyl phosphate + ChemIDplus + + + + + Phosphoric acid, trimethyl ester + ChemIDplus + + + + + TMP + ChemIDplus + + + + + TMPA + ChemIDplus + + + + + TMPO + ChemIDplus + + + + + Trimethoxyphosphine oxide + ChemIDplus + + + + + Trimethyl orthophosphate + ChemIDplus + + + + + + + + + + A dioxane with oxygen atoms at positions 1 and 4. + 0 + C4H8O2 + InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 + RYHBNJHYFVUHQT-UHFFFAOYSA-N + 88.10512 + 88.05243 + C1COCCO1 + CHEBI:34064 + CHEBI:41951 + CHEBI:46925 + CAS:123-91-1 + DrugBank:DB03316 + KEGG:C14440 + LINCS:LSM-37087 + PDBeChem:DIO + PMID:14550759 + PMID:18044507 + PMID:20598439 + PPDB:1638 + Reaxys:102551 + Wikipedia:1,4-Dioxane + 1,4-Dioxane + 1,4-dioxane + chebi_ontology + 1,4-DIETHYLENE DIOXIDE + 1,4-Dioxan + 1,4-dioxacyclohexane + Dioxan-1,4 + di(ethylene oxide) + dioxane-1,4 + glycol ethylene ether + p-Dioxane + tetrahydro-1,4-dioxin + tetrahydro-p-dioxin + tetrahydro-para-dioxin + CHEBI:47032 + + 1,4-dioxane + + + + + CAS:123-91-1 + ChemIDplus + + + + + CAS:123-91-1 + KEGG COMPOUND + + + + + CAS:123-91-1 + NIST Chemistry WebBook + + + + + PMID:14550759 + Europe PMC + + + + + PMID:18044507 + Europe PMC + + + + + PMID:20598439 + Europe PMC + + + + + Reaxys:102551 + Reaxys + + + + + 1,4-Dioxane + KEGG_COMPOUND + + + + + 1,4-dioxane + IUPAC + + + + + + 1,4-DIETHYLENE DIOXIDE + PDBeChem + + + + + 1,4-Dioxan + NIST_Chemistry_WebBook + + + + + 1,4-dioxacyclohexane + ChemIDplus + + + + + Dioxan-1,4 + ChemIDplus + + + + + di(ethylene oxide) + ChemIDplus + + + + + dioxane-1,4 + ChemIDplus + + + + + glycol ethylene ether + ChemIDplus + + + + + p-Dioxane + KEGG_COMPOUND + + + + + tetrahydro-1,4-dioxin + NIST_Chemistry_WebBook + + + + + tetrahydro-p-dioxin + ChemIDplus + + + + + tetrahydro-para-dioxin + ChemIDplus + + + + + + + + + + + + A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. + 0 + CCl3F + InChI=1S/CCl3F/c2-1(3,4)5 + CYRMSUTZVYGINF-UHFFFAOYSA-N + 137.36720 + 135.90496 + FC(Cl)(Cl)Cl + CAS:75-69-4 + PMID:1114326 + PMID:24189105 + PMID:5727092 + PMID:8006631 + Reaxys:1732469 + Wikipedia:Trichlorofluoromethane + trichloro(fluoro)methane + trichlorofluoromethane + chebi_ontology + CFC-11 + Eskimon 11 + Freon 11 + R-11 + Refrigerant 11 + fluorochloroform + fluorotrichloromethane + monofluorotrichloromethane + trichlorofluorocarbon + trichloromonofluoromethane + CHEBI:48236 + + trichlorofluoromethane + + + + + + true + + + + + CAS:75-69-4 + ChemIDplus + + + + + CAS:75-69-4 + NIST Chemistry WebBook + + + + + PMID:1114326 + Europe PMC + + + + + PMID:24189105 + Europe PMC + + + + + PMID:5727092 + Europe PMC + + + + + PMID:8006631 + Europe PMC + + + + + Reaxys:1732469 + Reaxys + + + + + trichloro(fluoro)methane + IUPAC + + + + + + trichlorofluoromethane + ChemIDplus + + + + + CFC-11 + ChemIDplus + + + + + Eskimon 11 + ChemIDplus + + + + + Freon 11 + ChemIDplus + + + + + R-11 + ChemIDplus + + + + + Refrigerant 11 + ChemIDplus + + + + + fluorochloroform + ChemIDplus + + + + + fluorotrichloromethane + NIST_Chemistry_WebBook + + + + + monofluorotrichloromethane + NIST_Chemistry_WebBook + + + + + trichlorofluorocarbon + ChemIDplus + + + + + trichloromonofluoromethane + ChemIDplus + + + + + + + + + + + + + A metal chloride salt with a Li(+) counterion. + 0 + ClLi + InChI=1S/ClH.Li/h1H;/q;+1/p-1 + KWGKDLIKAYFUFQ-UHFFFAOYSA-M + 42.39370 + 41.98486 + [Li+].[Cl-] + CAS:7447-41-8 + PMID:21301855 + PMID:24398558 + lithium chloride + chebi_ontology + LiCl + Lithiumchlorid + chlorure de lithium + cloruro de litio + lithii chloridum + CHEBI:48607 + + lithium chloride + + + + + CAS:7447-41-8 + ChemIDplus + + + + + CAS:7447-41-8 + NIST Chemistry WebBook + + + + + PMID:21301855 + Europe PMC + + + + + PMID:24398558 + Europe PMC + + + + + lithium chloride + IUPAC + + + + + + LiCl + IUPAC + + + + + Lithiumchlorid + ChEBI + + + + + chlorure de lithium + NIST_Chemistry_WebBook + + + + + cloruro de litio + ChEBI + + + + + lithii chloridum + ChEBI + + + + + + + + + + + 0 + Kr + InChI=1S/Kr + DNNSSWSSYDEUBZ-UHFFFAOYSA-N + 83.80000 + 83.91150 + [Kr] + CHEBI:33312 + CAS:7439-90-9 + WebElements:Kr + krypton + chebi_ontology + 36Kr + Kr + cripton + kripton + krypton + CHEBI:49696 + + krypton atom + + + + + CAS:7439-90-9 + ChemIDplus + + + + + CAS:7439-90-9 + NIST Chemistry WebBook + + + + + krypton + IUPAC + + + + + + 36Kr + IUPAC + + + + + Kr + IUPAC + + + + + cripton + ChEBI + + + + + kripton + ChEBI + + + + + krypton + ChEBI + + + + + + + + + A role played by the molecular entity or part thereof within a chemical context. + chebi_ontology + CHEBI:51086 + + chemical role + + + + + + + + + + The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent. + 0 + C6H5F + InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H + PYLWMHQQBFSUBP-UHFFFAOYSA-N + 96.10230 + 96.03753 + Fc1ccccc1 + CAS:462-06-6 + Gmelin:49856 + KEGG:C11272 + PMID:22976426 + PMID:24060903 + Patent:CN101224914 + Patent:US4390740 + Reaxys:1236623 + Wikipedia:Fluorobenzene + fluorobenzene + monofluorobenzene + chebi_ontology + Fluorbenzol + Fluorobenzene + phenyl fluoride + CHEBI:5115 + + monofluorobenzene + + + + + CAS:462-06-6 + ChemIDplus + + + + + CAS:462-06-6 + KEGG COMPOUND + + + + + CAS:462-06-6 + NIST Chemistry WebBook + + + + + Gmelin:49856 + Gmelin + + + + + PMID:22976426 + Europe PMC + + + + + PMID:24060903 + Europe PMC + + + + + Reaxys:1236623 + Reaxys + + + + + fluorobenzene + IUPAC + + + + + + monofluorobenzene + NIST_Chemistry_WebBook + + + + + Fluorbenzol + ChEBI + + + + + Fluorobenzene + KEGG_COMPOUND + + + + + phenyl fluoride + NIST_Chemistry_WebBook + + + + + + + + + The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2. + 0 + [119Sn] + InChI=1S/Sn/i1+0 + ATJFFYVFTNAWJD-IGMARMGPSA-N + 118.903 + 118.90331 + [119Sn] + tin-119 + chebi_ontology + (119)50Sn + (119)Sn + tin-119 + CHEBI:52230 + + tin-119 atom + + + + + tin-119 + IUPAC + + + + + + (119)50Sn + IUPAC + + + + + (119)Sn + IUPAC + + + + + tin-119 + ChEBI + + + + + + + + + The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2. + 0 + [117Sn] + InChI=1S/Sn/i1-2 + ATJFFYVFTNAWJD-YPZZEJLDSA-N + 116.903 + 116.90295 + [117Sn] + tin-117 + chebi_ontology + (117)50Sn + (117)Sn + tin-117 + CHEBI:52234 + + tin-117 atom + + + + + tin-117 + IUPAC + + + + + + (117)50Sn + IUPAC + + + + + (117)Sn + IUPAC + + + + + tin-117 + ChEBI + + + + + + + + + The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2. + 0 + [115Sn] + InChI=1S/Sn/i1-4 + ATJFFYVFTNAWJD-AHCXROLUSA-N + 114.903 + 114.90334 + [115Sn] + tin-115 + chebi_ontology + (115)50Sn + (115)Sn + tin-115 + CHEBI:52235 + + tin-115 atom + + + + + tin-115 + IUPAC + + + + + + (115)50Sn + IUPAC + + + + + (115)Sn + IUPAC + + + + + tin-115 + ChEBI + + + + + + + + + The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2. + 0 + [125Te] + InChI=1S/Te/i1-3 + PORWMNRCUJJQNO-OIOBTWANSA-N + 124.904 + 124.90443 + [125Te] + tellurium-125 + chebi_ontology + (125)52Te + (125)Te + tellurium-125 + CHEBI:52452 + + tellurium-125 atom + + + + + tellurium-125 + IUPAC + + + + + + (125)52Te + IUPAC + + + + + (125)Te + IUPAC + + + + + tellurium-125 + ChEBI + + + + + + + + + + + The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2. + 0 + [129Xe] + InChI=1S/Xe/i1-2 + FHNFHKCVQCLJFQ-YPZZEJLDSA-N + 128.905 + 128.90478 + [129Xe] + xenon-129 + chebi_ontology + (129)54Xe + (129)Xe + xenon-129 + CHEBI:52453 + + xenon-129 atom + + + + + xenon-129 + IUPAC + + + + + + (129)54Xe + IUPAC + + + + + (129)Xe + IUPAC + + + + + xenon-129 + ChEBI + + + + + + + + + A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2. + 0 + [77Se] + InChI=1S/Se/i1-2 + BUGBHKTXTAQXES-YPZZEJLDSA-N + 76.920 + 76.91991 + [77Se] + Chemspider:9507361 + PMID:16158304 + PMID:23159557 + PMID:25848959 + PMID:25923042 + PMID:27129100 + PMID:30828921 + PMID:32453871 + PMID:34153173 + ((77)Se)selenium + chebi_ontology + (77)34Se + (77)Se + Se-77 + selenium, isotope of mass 77 + selenium-(77)Se + selenium-77 + CHEBI:52457 + + selenium-77 atom + + + + + PMID:16158304 + Europe PMC + + + + + PMID:23159557 + Europe PMC + + + + + PMID:25848959 + Europe PMC + + + + + PMID:25923042 + Europe PMC + + + + + PMID:27129100 + Europe PMC + + + + + PMID:30828921 + Europe PMC + + + + + PMID:32453871 + Europe PMC + + + + + PMID:34153173 + Europe PMC + + + + + ((77)Se)selenium + IUPAC + + + + + + (77)34Se + IUPAC + + + + + (77)Se + IUPAC + + + + + Se-77 + ChEBI + + + + + selenium, isotope of mass 77 + ChEBI + + + + + selenium-(77)Se + ChEBI + + + + + selenium-77 + ChEBI + + + + + + + + + The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2. + 0 + [7Li] + InChI=1S/Li/i1+0 + WHXSMMKQMYFTQS-IGMARMGPSA-N + 7.016 + 7.01600 + [7Li] + lithium-7 + chebi_ontology + (7)3Li + (7)Li + lithium-7 + CHEBI:52458 + + lithium-7 atom + + + + + lithium-7 + IUPAC + + + + + + (7)3Li + IUPAC + + + + + (7)Li + IUPAC + + + + + lithium-7 + ChEBI + + + + + + + + + The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2. + 0 + [87Rb] + InChI=1S/Rb/i1+2 + IGLNJRXAVVLDKE-NJFSPNSNSA-N + 86.909 + 86.90918 + [87Rb] + rubidium-87 + chebi_ontology + (87)37Rb + (87)Rb + rubidium-87 + CHEBI:52459 + + rubidium-87 atom + + + + + rubidium-87 + IUPAC + + + + + + (87)37Rb + IUPAC + + + + + (87)Rb + IUPAC + + + + + rubidium-87 + ChEBI + + + + + + + + + The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2. + 0 + [93Nb] + InChI=1S/Nb/i1+0 + GUCVJGMIXFAOAE-IGMARMGPSA-N + 92.906 + 92.90637 + [93Nb] + niobium-93 + chebi_ontology + (93)41Nb + (93)Nb + niobium-93 + CHEBI:52460 + + niobium-93 atom + + + + + niobium-93 + IUPAC + + + + + + (93)41Nb + IUPAC + + + + + (93)Nb + IUPAC + + + + + niobium-93 + ChEBI + + + + + + + + + The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2. + 0 + [183W] + InChI=1S/W/i1-1 + WFKWXMTUELFFGS-BJUDXGSMSA-N + 182.950 + 182.95022 + [183W] + tungsten-183 + chebi_ontology + (183)74W + (183)W + CHEBI:52462 + + tungsten-183 + + + + + tungsten-183 + IUPAC + + + + + + (183)74W + IUPAC + + + + + (183)W + IUPAC + + + + + + + + + The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2. + 0 + [111Cd] + InChI=1S/Cd/i1-1 + BDOSMKKIYDKNTQ-BJUDXGSMSA-N + 110.904 + 110.90418 + [111Cd] + cadmium-111 + chebi_ontology + (111)48Cd + (111)Cd + CHEBI:52619 + + cadmium-111 + + + + + cadmium-111 + IUPAC + + + + + + (111)48Cd + IUPAC + + + + + (111)Cd + IUPAC + + + + + + + + + The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2. + 0 + [113Cd] + InChI=1S/Cd/i1+1 + BDOSMKKIYDKNTQ-OUBTZVSYSA-N + 112.904 + 112.90441 + [113Cd] + cadmium-113 + chebi_ontology + (113)48Cd + (113)Cd + CHEBI:52620 + + cadmium-113 + + + + + cadmium-113 + IUPAC + + + + + + (113)48Cd + IUPAC + + + + + (113)Cd + IUPAC + + + + + + + + + The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1. + 0 + [6Li] + InChI=1S/Li/i1-1 + WHXSMMKQMYFTQS-BJUDXGSMSA-N + 6.015 + 6.01512 + [6Li] + lithium-6 + chebi_ontology + (6)3Li + (6)Li + lithium-6 + CHEBI:52621 + + lithium-6 atom + + + + + lithium-6 + IUPAC + + + + + + (6)3Li + IUPAC + + + + + (6)Li + IUPAC + + + + + lithium-6 + ChEBI + + + + + + + + + The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2. + 0 + [89Y] + InChI=1S/Y/i1+0 + VWQVUPCCIRVNHF-IGMARMGPSA-N + 88.906 + 88.90584 + [89Y] + yttrium-89 + chebi_ontology + (89)39Y + (89)Y + yttrium-89 + CHEBI:52622 + + yttrium-89 atom + + + + + yttrium-89 + IUPAC + + + + + + (89)39Y + IUPAC + + + + + (89)Y + IUPAC + + + + + yttrium-89 + ChEBI + + + + + + + + + The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2. + 0 + [57Fe] + InChI=1S/Fe/i1+1 + XEEYBQQBJWHFJM-OUBTZVSYSA-N + 56.935 + 56.93539 + [57Fe] + iron-57 + chebi_ontology + (57)26Fe + (57)Fe + CHEBI:52623 + + iron-57 atom + + + + + iron-57 + IUPAC + + + + + + (57)26Fe + IUPAC + + + + + (57)Fe + IUPAC + + + + + + + + + + The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2. + 0 + [121Sb] + InChI=1S/Sb/i1-1 + WATWJIUSRGPENY-BJUDXGSMSA-N + 120.904 + 120.90381 + [121Sb] + antimony-121 + chebi_ontology + (121)51Sb + (121)Sb + antimony-121 + CHEBI:52624 + + antimony-121 atom + + + + + antimony-121 + IUPAC + + + + + + (121)51Sb + IUPAC + + + + + (121)Sb + IUPAC + + + + + antimony-121 + ChEBI + + + + + + + + + + The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2. + 0 + [123Sb] + InChI=1S/Sb/i1+1 + WATWJIUSRGPENY-OUBTZVSYSA-N + 122.904 + 122.90421 + [123Sb] + antimony-123 + chebi_ontology + (123)51Sb + (123)Sb + antimony-123 + CHEBI:52626 + + antimony-123 atom + + + + + antimony-123 + IUPAC + + + + + + (123)51Sb + IUPAC + + + + + (123)Sb + IUPAC + + + + + antimony-123 + ChEBI + + + + + + + + + The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2. + 0 + [139La] + InChI=1S/La/i1+0 + FZLIPJUXYLNCLC-IGMARMGPSA-N + 138.906 + 138.90636 + [139La] + lanthanum-139 + chebi_ontology + (139)57La + (139)La + lanthanum-139 + CHEBI:52627 + + lanthanum-139 atom + + + + + lanthanum-139 + IUPAC + + + + + + (139)57La + IUPAC + + + + + (139)La + IUPAC + + + + + lanthanum-139 + ChEBI + + + + + + + + + The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2. + 0 + [127I] + InChI=1S/I/i1+0 + ZCYVEMRRCGMTRW-IGMARMGPSA-N + 126.904 + 126.90447 + [127I] + iodine-127 + chebi_ontology + (127)53I + (127)I + iodine-127 + CHEBI:52631 + + iodine-127 atom + + + + + iodine-127 + IUPAC + + + + + + (127)53I + IUPAC + + + + + (127)I + IUPAC + + + + + iodine-127 + ChEBI + + + + + + + + + The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2. + 0 + [39K] + InChI=1S/K/i1+0 + ZLMJMSJWJFRBEC-IGMARMGPSA-N + 38.964 + 38.96371 + [39K] + potassium-39 + chebi_ontology + (39)19K + (39)K + potassium-39 + CHEBI:52632 + + potassium-39 atom + + + + + potassium-39 + IUPAC + + + + + + (39)19K + IUPAC + + + + + (39)K + IUPAC + + + + + potassium-39 + ChEBI + + + + + + + + + The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2. + 0 + [95Mo] + InChI=1S/Mo/i1-1 + ZOKXTWBITQBERF-BJUDXGSMSA-N + 94.906 + 94.90584 + [95Mo] + molybdenum-95 + chebi_ontology + (95)42Mo + (95)Mo + CHEBI:52633 + + molybdenum-95 + + + + + molybdenum-95 + IUPAC + + + + + + (95)42Mo + IUPAC + + + + + (95)Mo + IUPAC + + + + + + + + + The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2. + 0 + [23Na] + InChI=1S/Na/i1+0 + KEAYESYHFKHZAL-IGMARMGPSA-N + 22.990 + 22.98977 + [23Na] + sodium-23 + chebi_ontology + (23)11Na + (23)Na + sodium-23 + CHEBI:52634 + + sodium-23 atom + + + + + sodium-23 + IUPAC + + + + + + (23)11Na + IUPAC + + + + + (23)Na + IUPAC + + + + + sodium-23 + ChEBI + + + + + + + + + The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2. + 0 + [45Sc] + InChI=1S/Sc/i1+0 + SIXSYDAISGFNSX-IGMARMGPSA-N + 44.956 + 44.95591 + [45Sc] + scandium-45 + chebi_ontology + (45)21Sc + (45)Sc + scandium-45 + CHEBI:52635 + + scandium-45 atom + + + + + scandium-45 + IUPAC + + + + + + (45)21Sc + IUPAC + + + + + (45)Sc + IUPAC + + + + + scandium-45 + ChEBI + + + + + + + + + The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2. + 0 + [79Br] + InChI=1S/Br/i1-1 + WKBOTKDWSSQWDR-BJUDXGSMSA-N + 78.918 + 78.91834 + [79Br] + chebi_ontology + (79)35Br + (79)Br + bromine-79 + CHEBI:52743 + + bromine-79 atom + + + + + (79)35Br + IUPAC + + + + + (79)Br + IUPAC + + + + + bromine-79 + ChEBI + + + + + + + + + The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2. + 0 + [73Ge] + InChI=1S/Ge/i1+0 + GNPVGFCGXDBREM-IGMARMGPSA-N + 72.923 + 72.92346 + [73Ge] + chebi_ontology + (73)32Ge + (73)Ge + germanium-73 + CHEBI:52758 + + germanium-73 atom + + + + + (73)32Ge + IUPAC + + + + + (73)Ge + IUPAC + + + + + germanium-73 + ChEBI + + + + + + + + + The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2. + 0 + [25Mg] + InChI=1S/Mg/i1+1 + FYYHWMGAXLPEAU-OUBTZVSYSA-N + 24.986 + 24.98584 + [25Mg] + chebi_ontology + (25)12Mg + (25)Mg + magnesium-25 + CHEBI:52763 + + magnesium-25 atom + + + + + (25)12Mg + IUPAC + + + + + (25)Mg + IUPAC + + + + + magnesium-25 + ChEBI + + + + + + + + + + + + A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1. + 0 + BeO4S + InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 + KQHXBDOEECKORE-UHFFFAOYSA-L + 105.07500 + 104.96391 + [Be++].[O-]S([O-])(=O)=O + CAS:13510-49-1 + Gmelin:8296 + PMID:11207315 + PMID:11423174 + PMID:11678613 + PMID:11897645 + PMID:16951350 + PMID:18250483 + PMID:18768897 + PMID:20549306 + PMID:2179717 + PMID:2469014 + PMID:2930060 + PMID:2954196 + PMID:3498695 + PMID:3764912 + PMID:3824419 + PMID:7122994 + PMID:8991630 + Patent:US4316840 + Patent:US4394524 + Patent:US5436364 + Reaxys:13316867 + Wikipedia:Beryllium_sulfate + Beryllium sulfate + beryllium sulfate + chebi_ontology + BeSO4 + Beryllium sulphate + beryllium(II) sulfate + CHEBI:53473 + + beryllium sulfate + + + + + CAS:13510-49-1 + ChemIDplus + + + + + CAS:13510-49-1 + NIST Chemistry WebBook + + + + + Gmelin:8296 + Gmelin + + + + + PMID:11207315 + Europe PMC + + + + + PMID:11423174 + Europe PMC + + + + + PMID:11678613 + Europe PMC + + + + + PMID:11897645 + Europe PMC + + + + + PMID:16951350 + Europe PMC + + + + + PMID:18250483 + Europe PMC + + + + + PMID:18768897 + Europe PMC + + + + + PMID:20549306 + Europe PMC + + + + + PMID:2179717 + Europe PMC + + + + + PMID:2469014 + Europe PMC + + + + + PMID:2930060 + Europe PMC + + + + + PMID:2954196 + Europe PMC + + + + + PMID:3498695 + Europe PMC + + + + + PMID:3764912 + Europe PMC + + + + + PMID:3824419 + Europe PMC + + + + + PMID:7122994 + Europe PMC + + + + + PMID:8991630 + Europe PMC + + + + + Reaxys:13316867 + Reaxys + + + + + Beryllium sulfate + ChemIDplus + + + + + beryllium sulfate + IUPAC + + + + + + BeSO4 + NIST_Chemistry_WebBook + + + + + Beryllium sulphate + ChemIDplus + + + + + beryllium(II) sulfate + ChEBI + + + + + + + + + + The bromide salt of tetramethylammonium. + 0 + C4H12BrN + InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 + DDFYFBUWEBINLX-UHFFFAOYSA-M + 154.04900 + 153.01531 + [Br-].C[N+](C)(C)C + CAS:64-20-0 + PMID:24804652 + PMID:6196640 + Reaxys:3620955 + N,N,N-trimethylmethanaminium bromide + chebi_ontology + TMAB + CHEBI:55317 + + tetramethylammonium bromide + + + + + CAS:64-20-0 + ChemIDplus + + + + + CAS:64-20-0 + NIST Chemistry WebBook + + + + + PMID:24804652 + Europe PMC + + + + + PMID:6196640 + Europe PMC + + + + + Reaxys:3620955 + Reaxys + + + + + N,N,N-trimethylmethanaminium bromide + IUPAC + + + + + + TMAB + NIST_Chemistry_WebBook + + + + + + + + + + + + An inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-) anions. + 0 + Cl6Na2Pt + InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6 + QGFSULIVEYGQQY-UHFFFAOYSA-H + 453.78200 + 450.75745 + [Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl + CAS:16923-58-3 + PMID:2936374 + PMID:6541706 + Reaxys:11322243 + Wikipedia:Sodium_hexachloroplatinate + sodium hexachloridoplatinate(2-) + sodium hexachloridoplatinate(IV) + chebi_ontology + Disodium hexachloroplatinate + CHEBI:59606 + + sodium hexachloroplatinate + + + + + CAS:16923-58-3 + ChemIDplus + + + + + PMID:2936374 + Europe PMC + + + + + PMID:6541706 + Europe PMC + + + + + Reaxys:11322243 + Reaxys + + + + + sodium hexachloridoplatinate(2-) + IUPAC + + + + + + sodium hexachloridoplatinate(IV) + IUPAC + + + + + + Disodium hexachloroplatinate + ChemIDplus + + + + + + + + + A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types. + chebi_ontology + Chemische Substanz + CHEBI:59999 + + chemical substance + + + + + Chemische Substanz + ChEBI + + + + + + + + + + + + An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils. + 0 + H8N2O4S + InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4) + BFNBIHQBYMNNAN-UHFFFAOYSA-N + 132.14000 + 132.02048 + [NH4+].[NH4+].[O-]S([O-])(=O)=O + CAS:7783-20-2 + KEGG:D08853 + MetaCyc:NH42SO4 + PMID:20556652 + PPDB:36 + Reaxys:11343144 + Wikipedia:Ammonium_sulfate + diazanium sulfate + chebi_ontology + (NH4)2SO4 + ammonium sulfate (2:1) + ammonium sulphate + diammonium sulfate + mascagnite + sulfuric acid ammonium salt (1:2) + sulfuric acid, diammonium salt + sulphate of ammonia + CHEBI:62946 + + ammonium sulfate + + + + + CAS:7783-20-2 + ChemIDplus + + + + + CAS:7783-20-2 + KEGG DRUG + + + + + PMID:20556652 + Europe PMC + + + + + Reaxys:11343144 + Reaxys + + + + + diazanium sulfate + IUPAC + + + + + + (NH4)2SO4 + ChEBI + + + + + ammonium sulfate (2:1) + ChemIDplus + + + + + ammonium sulphate + SUBMITTER + + + + + diammonium sulfate + IUPAC + + + + + mascagnite + ChemIDplus + + + + + sulfuric acid ammonium salt (1:2) + ChemIDplus + + + + + sulfuric acid, diammonium salt + ChemIDplus + + + + + sulphate of ammonia + ChEBI + + + + + + + + + + + + + An inorganic sodium salt having bromide as the counterion. + 0 + BrNa + InChI=1S/BrH.Na/h1H;/q;+1/p-1 + JHJLBTNAGRQEKS-UHFFFAOYSA-M + 102.89400 + 101.90811 + [Na+].[Br-] + CAS:7647-15-6 + Wikipedia:Sodium_bromide + chebi_ontology + Bromide salt of sodium + Bromnatrium + NaBr + Trisodium tribromide + CHEBI:63004 + + sodium bromide + + + + + CAS:7647-15-6 + ChemIDplus + + + + + CAS:7647-15-6 + NIST Chemistry WebBook + + + + + Bromide salt of sodium + ChemIDplus + + + + + Bromnatrium + ChemIDplus + + + + + NaBr + SUBMITTER + + + + + Trisodium tribromide + ChemIDplus + + + + + + + + + + + The inorganic nitrate salt of sodium. + 0 + NNaO3 + InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1 + VWDWKYIASSYTQR-UHFFFAOYSA-N + 84.99470 + 84.97759 + [Na+].[O-][N+]([O-])=O + CAS:7631-99-4 + Reaxys:11343077 + Wikipedia:Sodium_nitrate + sodium nitrate + sodium trioxidonitrate(1-) + chebi_ontology + Chile saltpeter + Cubic niter + Niter + Nitrate de sodium + Nitrate of soda + Nitric acid monosodium salt + Nitric acid sodium salt (1:1) + Nitric acid, sodium salt + Sodium saltpeter + Sodium(I) nitrate (1:1) + CHEBI:63005 + + sodium nitrate + + + + + CAS:7631-99-4 + ChemIDplus + + + + + Reaxys:11343077 + Reaxys + + + + + sodium nitrate + IUPAC + + + + + + sodium trioxidonitrate(1-) + IUPAC + + + + + + Chile saltpeter + SUBMITTER + + + + + Cubic niter + ChemIDplus + + + + + Niter + ChemIDplus + + + + + Nitrate de sodium + ChemIDplus + + + + + Nitrate of soda + ChemIDplus + + + + + Nitrate of soda + SUBMITTER + + + + + Nitric acid monosodium salt + ChemIDplus + + + + + Nitric acid sodium salt (1:1) + ChemIDplus + + + + + Nitric acid, sodium salt + ChemIDplus + + + + + Sodium saltpeter + ChemIDplus + + + + + Sodium(I) nitrate (1:1) + ChemIDplus + + + + + + + + + + + + + The inorganic dichloride salt of barium. + 0 + BaCl2 + InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2 + WDIHJSXYQDMJHN-UHFFFAOYSA-L + 208.23300 + 207.84295 + [Cl-].[Cl-].[Ba++] + CAS:10361-37-2 + MetaCyc:CPD0-1592 + PMID:21601246 + Reaxys:1209229 + Reaxys:8128158 + Wikipedia:Barium_chloride + barium dichloride + chebi_ontology + BaCl2 + CHEBI:63317 + + barium chloride + + + + + CAS:10361-37-2 + ChemIDplus + + + + + CAS:10361-37-2 + NIST Chemistry WebBook + + + + + PMID:21601246 + Europe PMC + + + + + Reaxys:1209229 + Reaxys + + + + + Reaxys:8128158 + Reaxys + + + + + barium dichloride + IUPAC + + + + + + BaCl2 + MetaCyc + + + + + + + + + + + + An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones. + 0 + Na2O4W + InChI=1S/2Na.4O.W/q2*+1;;;2*-1; + XMVONEAAOPAGAO-UHFFFAOYSA-N + 293.82000 + 293.91013 + [Na+].[Na+].[O-][W]([O-])(=O)=O + CAS:13472-45-2 + Reaxys:11343345 + Wikipedia:Sodium_tungstate + chebi_ontology + Disodium tetraoxotungstate + Disodium tungstate + Na2WO4 + Sodium tungstate(VI) + Sodium tungsten oxide + Sodium wolframate + Tungstic acid, disodium salt + sodium tetraoxotungstate(VI) + CHEBI:63940 + + sodium tungstate + + + + + CAS:13472-45-2 + ChemIDplus + + + + + Reaxys:11343345 + Reaxys + + + + + Disodium tetraoxotungstate + ChemIDplus + + + + + Disodium tungstate + ChemIDplus + + + + + Na2WO4 + ChEBI + + + + + Sodium tungstate(VI) + ChemIDplus + + + + + Sodium tungsten oxide + ChemIDplus + + + + + Sodium wolframate + ChemIDplus + + + + + Tungstic acid, disodium salt + ChemIDplus + + + + + sodium tetraoxotungstate(VI) + ChEBI + + + + + + + + + + + + + A magnesium salt comprising of two chlorine atoms bound to a magnesium atom. + 0 + Cl2Mg + InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2 + TWRXJAOTZQYOKJ-UHFFFAOYSA-L + 95.21040 + 93.92275 + [Mg++].[Cl-].[Cl-] + CAS:7786-30-3 + Gmelin:9305 + KEGG:C07755 + MolBase:1868 + Reaxys:8128169 + magnesium dichloride + chebi_ontology + Magnesium chloride + Magnesium chloride anhydrous + Magnesiumchlorid + MgCl2 + [MgCl2] + CHEBI:6636 + + magnesium dichloride + + + + + CAS:7786-30-3 + ChemIDplus + + + + + CAS:7786-30-3 + KEGG COMPOUND + + + + + CAS:7786-30-3 + NIST Chemistry WebBook + + + + + Gmelin:9305 + Gmelin + + + + + Reaxys:8128169 + Reaxys + + + + + magnesium dichloride + IUPAC + + + + + + Magnesium chloride + KEGG_COMPOUND + + + + + Magnesium chloride anhydrous + KEGG_COMPOUND + + + + + Magnesiumchlorid + ChEBI + + + + + MgCl2 + IUPAC + + + + + [MgCl2] + MolBase + + + + + + + + + + A fluoride salt having K+ as the counterion. + 0 + FK + InChI=1S/FH.K/h1H;/q;+1/p-1 + NROKBHXJSPEDAR-UHFFFAOYSA-M + 58.09670 + 57.96211 + [F-].[K+] + CAS:7789-23-3 + PMID:21412559 + PMID:21486073 + PMID:21636316 + PMID:21863787 + PMID:22013284 + PMID:22169214 + PMID:22359362 + PMID:22700337 + PMID:22721409 + PMID:22777777 + Reaxys:11339017 + Reaxys:3902818 + Wikipedia:Potassium_fluoride + potassium fluoride + chebi_ontology + Fluorure de potassium + Potassium fluorure + CHEBI:66872 + + potassium fluoride + + + + + CAS:7789-23-3 + ChemIDplus + + + + + CAS:7789-23-3 + NIST Chemistry WebBook + + + + + PMID:21412559 + Europe PMC + + + + + PMID:21486073 + Europe PMC + + + + + PMID:21636316 + Europe PMC + + + + + PMID:21863787 + Europe PMC + + + + + PMID:22013284 + Europe PMC + + + + + PMID:22169214 + Europe PMC + + + + + PMID:22359362 + Europe PMC + + + + + PMID:22700337 + Europe PMC + + + + + PMID:22721409 + Europe PMC + + + + + PMID:22777777 + Europe PMC + + + + + Reaxys:11339017 + Reaxys + + + + + Reaxys:3902818 + Reaxys + + + + + potassium fluoride + IUPAC + + + + + + Fluorure de potassium + ChemIDplus + + + + + Potassium fluorure + ChemIDplus + + + + + + + + + In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra. + chebi_ontology + NMR shift reagents + lanthanide shift reagent + lanthanide shift reagents + nuclear magnetic resonance shift reagent + nuclear magnetic resonance shift reagents + CHEBI:67137 + + NMR shift reagent + + + + + NMR shift reagents + ChEBI + + + + + lanthanide shift reagent + ChEBI + + + + + lanthanide shift reagents + ChEBI + + + + + nuclear magnetic resonance shift reagent + ChEBI + + + + + nuclear magnetic resonance shift reagents + ChEBI + + + + + + + + + + + + + An inorganic sodium salt having molybdate as the counterion. + 0 + MoNa2O4 + InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1 + TVXXNOYZHKPKGW-UHFFFAOYSA-N + 205.92000 + 207.86460 + [Na+].[Na+].[O-][Mo]([O-])(=O)=O + CAS:7631-95-0 + KEGG:C15455 + Reaxys:11323078 + Wikipedia:Sodium_molybdate + sodium dioxido(dioxo)molybdenum + chebi_ontology + Disodium molybdate + Molybdic acid, disodium salt + Na2MoO4 + Natriummolybdat + Sodium molybdate(VI) + disodium tetraoxomolybdate + sodium molybdate + sodium molybdate (anh.) + sodium orthomolybdate + CHEBI:75215 + + sodium molybdate (anhydrous) + + + + + CAS:7631-95-0 + ChemIDplus + + + + + CAS:7631-95-0 + KEGG COMPOUND + + + + + CAS:7631-95-0 + NIST Chemistry WebBook + + + + + Reaxys:11323078 + Reaxys + + + + + sodium dioxido(dioxo)molybdenum + IUPAC + + + + + + Disodium molybdate + ChemIDplus + + + + + Molybdic acid, disodium salt + ChemIDplus + + + + + Na2MoO4 + ChEBI + + + + + Natriummolybdat + ChemIDplus + + + + + Sodium molybdate(VI) + KEGG_COMPOUND + + + + + disodium tetraoxomolybdate + ChEBI + + + + + sodium molybdate + ChEBI + + + + + sodium molybdate (anh.) + ChEBI + + + + + sodium orthomolybdate + ChEBI + + + + + + + + + + + A potassium salt consisting of potassium and chromate ions in a 2:1 ratio. + 0 + CrK2O4 + InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1 + XMXNVYPJWBTAHN-UHFFFAOYSA-N + 194.19030 + 193.84758 + [K+].[K+].[O-][Cr]([O-])(=O)=O + CAS:7789-00-6 + PMID:1372703 + PMID:1858300 + PMID:1897900 + PMID:19577443 + PMID:19839488 + PMID:3947421 + PMID:6771085 + PMID:7073801 + PMID:7395526 + PMID:8692229 + Reaxys:11343356 + Wikipedia:Potassium_chromate + Potassium chromate + dipotassium dioxido(dioxo)chromium + chebi_ontology + Bipotassium chromate + Chromic acid, dipotassium salt + Dipotassium chromate + Dipotassium monochromate + Potassium chromate(VI) + CHEBI:75249 + + potassium chromate + + + + + CAS:7789-00-6 + ChemIDplus + + + + + PMID:1372703 + Europe PMC + + + + + PMID:1858300 + Europe PMC + + + + + PMID:1897900 + Europe PMC + + + + + PMID:19577443 + Europe PMC + + + + + PMID:19839488 + Europe PMC + + + + + PMID:3947421 + Europe PMC + + + + + PMID:6771085 + Europe PMC + + + + + PMID:7073801 + Europe PMC + + + + + PMID:7395526 + Europe PMC + + + + + PMID:8692229 + Europe PMC + + + + + Reaxys:11343356 + Reaxys + + + + + Potassium chromate + ChemIDplus + + + + + dipotassium dioxido(dioxo)chromium + IUPAC + + + + + + Bipotassium chromate + ChemIDplus + + + + + Chromic acid, dipotassium salt + ChemIDplus + + + + + Dipotassium chromate + ChemIDplus + + + + + Dipotassium monochromate + ChemIDplus + + + + + Potassium chromate(VI) + ChemIDplus + + + + + + + + + Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium. + chebi_ontology + (2)H-labeled compound + (2)H-labeled compounds + (2)H-labelled compound + (2)H-labelled compounds + deuterated compounds + deuterium-labeled compound + deuterium-labeled compounds + deuterium-labelled compound + deuterium-labelled compounds + CHEBI:76107 + + deuterated compound + + + + + (2)H-labeled compound + ChEBI + + + + + (2)H-labeled compounds + ChEBI + + + + + (2)H-labelled compound + ChEBI + + + + + (2)H-labelled compounds + ChEBI + + + + + deuterated compounds + ChEBI + + + + + deuterium-labeled compound + ChEBI + + + + + deuterium-labeled compounds + ChEBI + + + + + deuterium-labelled compound + ChEBI + + + + + deuterium-labelled compounds + ChEBI + + + + + + + + + + + + A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. + 0 + CH3NO2 + InChI=1S/CH3NO2/c1-2(3)4/h1H3 + LYGJENNIWJXYER-UHFFFAOYSA-N + 61.04000 + 61.01638 + C[N+]([O-])=O + CAS:75-52-5 + KEGG:C19275 + MetaCyc:CPD-8133 + PMID:11100413 + PMID:21860501 + PMID:26735907 + PMID:26800205 + PMID:4207867 + PMID:999282 + Reaxys:1698205 + Wikipedia:Nitromethane + nitromethane + chebi_ontology + CH3NO2 + MeNO2 + CHEBI:77701 + + nitromethane + + + + + CAS:75-52-5 + ChemIDplus + + + + + CAS:75-52-5 + KEGG COMPOUND + + + + + CAS:75-52-5 + NIST Chemistry WebBook + + + + + PMID:11100413 + Europe PMC + + + + + PMID:21860501 + Europe PMC + + + + + PMID:26735907 + Europe PMC + + + + + PMID:26800205 + Europe PMC + + + + + PMID:4207867 + Europe PMC + + + + + PMID:999282 + Europe PMC + + + + + Reaxys:1698205 + Reaxys + + + + + nitromethane + IUPAC + + + + + + CH3NO2 + ChEBI + + + + + MeNO2 + ChEBI + + + + + + + + + + + + A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. + 0 + C3D6O + InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 + CSCPPACGZOOCGX-WFGJKAKNSA-N + 64.117 + 64.07953 + [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] + CAS:666-52-4 + Reaxys:1702935 + Wikipedia:Deuterated_acetone + ((2)H6)propan-2-one + chebi_ontology + (2H6)Acetone + (CD3)2CO + 2-Propanone-1,1,1,3,3,3-D6 + Acetone-d6 + Perdeuteroacetone + hexadeuteroacetone + CHEBI:78217 + + acetone d6 + + + + + + true + + + + + CAS:666-52-4 + ChemIDplus + + + + + CAS:666-52-4 + NIST Chemistry WebBook + + + + + Reaxys:1702935 + Reaxys + + + + + ((2)H6)propan-2-one + IUPAC + + + + + + (2H6)Acetone + ChemIDplus + + + + + (CD3)2CO + NIST_Chemistry_WebBook + + + + + 2-Propanone-1,1,1,3,3,3-D6 + NIST_Chemistry_WebBook + + + + + Acetone-d6 + ChemIDplus + + + + + Perdeuteroacetone + NIST_Chemistry_WebBook + + + + + hexadeuteroacetone + ChEBI + + + + + + + + + + + + + An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio. + 0 + ClRb + InChI=1S/ClH.Rb/h1H;/q;+1/p-1 + FGDZQCVHDSGLHJ-UHFFFAOYSA-M + 120.92100 + 119.88064 + [Cl-].[Rb+] + CAS:7791-11-9 + PMID:108740 + PMID:1159626 + PMID:1748232 + PMID:2010564 + PMID:3311597 + PMID:3379141 + PMID:349155 + PMID:5436089 + PMID:5561654 + PMID:6206870 + PMID:6705481 + PMID:690649 + PMID:8412574 + PMID:8926857 + Reaxys:3534980 + Reaxys:9321247 + Wikipedia:Rubidium_chloride + rubidium chloride + chebi_ontology + Rubidium monochloride + CHEBI:78672 + + rubidium chloride + + + + + CAS:7791-11-9 + ChemIDplus + + + + + CAS:7791-11-9 + NIST Chemistry WebBook + + + + + PMID:108740 + Europe PMC + + + + + PMID:1159626 + Europe PMC + + + + + PMID:1748232 + Europe PMC + + + + + PMID:2010564 + Europe PMC + + + + + PMID:3311597 + Europe PMC + + + + + PMID:3379141 + Europe PMC + + + + + PMID:349155 + Europe PMC + + + + + PMID:5436089 + Europe PMC + + + + + PMID:5561654 + Europe PMC + + + + + PMID:6206870 + Europe PMC + + + + + PMID:6705481 + Europe PMC + + + + + PMID:690649 + Europe PMC + + + + + PMID:8412574 + Europe PMC + + + + + PMID:8926857 + Europe PMC + + + + + Reaxys:3534980 + Reaxys + + + + + Reaxys:9321247 + Reaxys + + + + + rubidium chloride + IUPAC + + + + + + Rubidium monochloride + ChemIDplus + - + + + + + + + A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals. + 0 + IK + K.I + InChI=1S/HI.K/h1H;/q;+1/p-1 + NLKNQRATVPKPDG-UHFFFAOYSA-M + 166.00277 + 165.86818 + [K+].[I-] + CAS:7681-11-0 + KEGG:C08219 + KEGG:D01016 + PMID:11004629 + PMID:15206581 + PMID:23475155 + PMID:23793210 + PMID:24044784 + PMID:24635765 + PPDB:1529 + Wikipedia:Potassium_Iodide + Potassium iodide + potassium iodide + chebi_ontology + KI + Kaliumiodid + CHEBI:8346 + + potassium iodide + + + + + CAS:7681-11-0 + ChemIDplus + + + + + CAS:7681-11-0 + KEGG COMPOUND + + + + + CAS:7681-11-0 + NIST Chemistry WebBook + + + + + PMID:11004629 + Europe PMC + + + + + PMID:15206581 + Europe PMC + + + + + PMID:23475155 + Europe PMC + + + + + PMID:23793210 + Europe PMC + + + + + PMID:24044784 + Europe PMC + + + + + PMID:24635765 + Europe PMC + + + + + Potassium iodide + KEGG_COMPOUND + + + + + potassium iodide + IUPAC + + + + + + KI + IUPAC + + + + + Kaliumiodid + ChEBI + + + - - - pT2a (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 5 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT2a (lung) - + + + + + + + + + + An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups. + 0 + C4H12Si + InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3 + CZDYPVPMEAXLPK-UHFFFAOYSA-N + 88.22360 + 88.07083 + C[Si](C)(C)C + CAS:75-76-3 + Reaxys:1696908 + tetramethylsilane + chebi_ontology + (CH3)4Si + Me4Si + Si(CH3)4 + SiMe4 + TMS + Tetramethyl silane + Tetramethylsilicane + CHEBI:85361 + + tetramethylsilane + + + + + CAS:75-76-3 + ChemIDplus + + + + + CAS:75-76-3 + NIST Chemistry WebBook + + + + + Reaxys:1696908 + Reaxys + + + + + tetramethylsilane + IUPAC + + + + + + (CH3)4Si + NIST_Chemistry_WebBook + + + + + Me4Si + ChEBI + + + + + Si(CH3)4 + NIST_Chemistry_WebBook + + + + + SiMe4 + ChEBI + + + + + TMS + SUBMITTER + + + + + Tetramethyl silane + ChemIDplus + + + + + Tetramethylsilicane + ChemIDplus + - + + + + + + + + + An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group. + 0 + C6H16O3SSi + InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9) + TVZRAEYQIKYCPH-UHFFFAOYSA-N + 196.340 + 196.05894 + C[Si](CCCS(O)(=O)=O)(C)C + CAS:18173-90-5 + Reaxys:1860132 + Wikipedia:DSS_(NMR_standard) + 3-(trimethylsilyl)propane-1-sulfonic acid + chebi_ontology + 2,2-dimethyl-2-silapentane-5-sulfonic acid + 4,4-dimethyl-4-silapentane-1-sulfonic acid + DSS + CHEBI:85362 + + 3-(trimethylsilyl)propane-1-sulfonic acid + + + + + CAS:18173-90-5 + ChemIDplus + + + + + Reaxys:1860132 + Reaxys + + + + + 3-(trimethylsilyl)propane-1-sulfonic acid + IUPAC + + + + + + 2,2-dimethyl-2-silapentane-5-sulfonic acid + ChEBI + + + + + 4,4-dimethyl-4-silapentane-1-sulfonic acid + ChEBI + + + + + DSS + SUBMITTER + + - - - pT2b (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 5 cm but not more than 7 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT2b (lung) - + + + + + + + An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). + 0 + C6H13NaO2Si + InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1 + OIIWPAYIXDCDNL-UHFFFAOYSA-M + 168.24150 + 168.05825 + [Na+].C[Si](C)(C)CCC([O-])=O + CAS:37013-20-0 + Reaxys:4021529 + sodium 3-(trimethylsilyl)propanoate + chebi_ontology + TMSP + TSP + sodium trimethylsilylpropanoate + sodium trimethylsilylpropionate + CHEBI:85363 + + sodium 3-(trimethylsilyl)propionate + + + + + CAS:37013-20-0 + ChemIDplus + + + + + Reaxys:4021529 + Reaxys + + + + + sodium 3-(trimethylsilyl)propanoate + IUPAC + + + + + + TMSP + SUBMITTER + + + + + TSP + SUBMITTER + + + + + sodium trimethylsilylpropanoate + ChEBI + + + + + sodium trimethylsilylpropionate + ChEBI + - + + + + + + An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio. + 0 + BrH4N + InChI=1S/BrH.H3N/h1H;1H3 + SWLVFNYSXGMGBS-UHFFFAOYSA-N + 97.94200 + 96.95271 + [NH4+].[Br-] + CAS:12124-97-9 + Reaxys:13202152 + Wikipedia:Ammonium_bromide + chebi_ontology + NH4Br + CHEBI:85364 + + ammonium bromide + + + + + CAS:12124-97-9 + ChemIDplus + + + + + CAS:12124-97-9 + NIST Chemistry WebBook + + + + + Reaxys:13202152 + Reaxys + + + + + NH4Br + ChEBI + + - - - pT3 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 7 cm or one that directly invades any of: parietal pleura, chest wall (including superior sulcus tumors), diaphragm, phrenic nerve, mediastinal pleura, parietal pericardiu or the tumor is in the main bronchus less than 2 cm distal to the carina but without involvement of the carina or there is associated atelectasis or obstructive pneumonitis of the entire lung or there is separate tumor nodule(s) in the same lobe as the primary. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT3 (lung) - + + + + + + + + + A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy. + 0 + CDCl3 + InChI=1S/CHCl3/c2-1(3)4/h1H/i1D + HEDRZPFGACZZDS-MICDWDOJSA-N + 120.380 + 118.92066 + [2H]C(Cl)(Cl)Cl + CAS:865-49-6 + PMID:29864274 + PMID:32562503 + Reaxys:1697633 + Wikipedia:Deuterated_chloroform + trichloro((2)H)methane + chebi_ontology + (2H)Chloroform + CDCl3 + Chloroform-D + Trichloromethane-d + Trichloromethane-d1 + deuterochloroform + CHEBI:85365 + + deuterated chloroform + + + + + + true + + + + + CAS:865-49-6 + ChemIDplus + + + + + CAS:865-49-6 + NIST Chemistry WebBook + + + + + PMID:29864274 + Europe PMC + + + + + PMID:32562503 + Europe PMC + + + + + Reaxys:1697633 + Reaxys + + + + + trichloro((2)H)methane + IUPAC + + + + + + (2H)Chloroform + ChemIDplus + + + + + CDCl3 + SUBMITTER + + + + + Chloroform-D + ChemIDplus + + + + + Trichloromethane-d + NIST_Chemistry_WebBook + + + + + Trichloromethane-d1 + NIST_Chemistry_WebBook + + + + + deuterochloroform + ChEBI + - + + + + + + An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). + 0 + C6H14O2Si + InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8) + NONFLFDSOSZQHR-UHFFFAOYSA-N + 146.25970 + 146.07631 + C[Si](C)(C)CCC(O)=O + CAS:5683-30-7 + Reaxys:1747261 + Wikipedia:Trimethylsilyl_propanoic_acid + 3-(trimethylsilyl)propanoic acid + chebi_ontology + 3-trimethylsilylpropanoic acid + 3-trimethylsilylpropionic acid + TMSP + TSP + CHEBI:85487 + + 3-(trimethylsilyl)propionic acid + + + + + CAS:5683-30-7 + ChemIDplus + + + + + Reaxys:1747261 + Reaxys + + + + + 3-(trimethylsilyl)propanoic acid + IUPAC + + + + + + 3-trimethylsilylpropanoic acid + ChEBI + + + + + 3-trimethylsilylpropionic acid + ChEBI + + + + + TMSP + ChEBI + + + + + TSP + ChEBI + + + - - - pT4 (lung) - - A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor of any size that invades any of the following: mediastinum, heart, great vessels, trachea, recurrent laryngeal nerve, esophagus, vertebral body, carina or there is separate tumor nodule(s) in a different ipsilateral lobe to that of the primary. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/ - NCI BBRB - pT4 (lung) - + + + + + + + + An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds. + 0 + O4Os + InChI=1S/4O.Os + VUVGYHUDAICLFK-UHFFFAOYSA-N + 254.222 + 255.94114 + O=[Os](=O)(=O)=O + CAS:20816-12-0 + PMID:12530969 + PMID:23975065 + PMID:25871651 + Reaxys:11406415 + Wikipedia:Osmium_tetroxide + tetraoxoosmium + chebi_ontology + Osmic acid + Osmic acid anhydride + Osmium oxide + Osmium tetraoxide + Perosmic acid anhydride + Perosmic oxide + CHEBI:88215 + + osmium tetroxide + + + + + CAS:20816-12-0 + ChemIDplus + + + + + CAS:20816-12-0 + NIST Chemistry WebBook + + + + + PMID:12530969 + Europe PMC + + + + + PMID:23975065 + Europe PMC + + + + + PMID:25871651 + Europe PMC + + + + + Reaxys:11406415 + Reaxys + + + + + tetraoxoosmium + IUPAC + + + + + + Osmic acid + ChemIDplus + + + + + Osmic acid anhydride + ChemIDplus + + + + + Osmium oxide + ChemIDplus + + + + + Osmium tetraoxide + ChemIDplus + + + + + Perosmic acid anhydride + ChemIDplus + + + + + Perosmic oxide + ChemIDplus + - + - - - pT0 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT0 (kidney) - + + + objective specification + In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction. + + A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved. + 2009-03-16: original definition when imported from OBI read: "objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed." + 2014-03-31: In the example of usage ("In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that. + Answers the question, why did you do this experiment? + PERSON: Alan Ruttenberg + PERSON: Barry Smith + PERSON: Bjoern Peters + PERSON: Jennifer Fostel + goal specification + OBI Plan and Planned Process/Roles Branch + OBI_0000217 + objective specification + + + + + + + + + Pour the contents of flask 1 into flask 2 + + A directive information entity that describes an action the bearer will take. + Alan Ruttenberg + OBI Plan and Planned Process branch + action specification + + + + + + + + + data item + Data items include counts of things, analyte concentrations, and statistical summaries. + + An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements. + 2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers. + 2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum. + 2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym. + 2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/ + JAR: datum -- well, this will be very tricky to define, but maybe some +information-like stuff that might be put into a computer and that is +meant, by someone, to denote and/or to be interpreted by some +process... I would include lists, tables, sentences... I think I might +defer to Barry, or to Brian Cantwell Smith + +JAR: A data item is an approximately justified approximately true approximate belief + PERSON: Alan Ruttenberg + PERSON: Chris Stoeckert + PERSON: Jonathan Rees + data + data item + - + + + + + + + + + + + information content entity + Examples of information content entites include journal articles, data, graphical layouts, and graphs. + + A generically dependent continuant that is about some thing. + 2014-03-10: The use of "thing" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ). + information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). - - - pT1 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 7 cm or less in greatest dimension and limited to the kidney. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT1 (kidney) - +Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity. + PERSON: Chris Stoeckert + OBI_0000142 + information content entity + - + - - - pT1a (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 4 cm or less. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT1a (kidney) - + + + + + + + + + + An information content entity whose concretizations indicate to their bearer how to realize them in a process. + 2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was "is the specification of a process that can be concretized and realized by an actor" with alternative term "instruction".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term. + 2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it. + 8/6/2009 Alan Ruttenberg: Changed label from "information entity about a realizable" after discussions at ICBO + Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan + PERSON: Alan Ruttenberg + PERSON: Bjoern Peters + directive information entity + - + - - - pT1b (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 4 cm but not more than 7 cm. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT1b (kidney) - + + + + + + + + + + + + + + + + + + curation status specification + + The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. + Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting) + PERSON:Bill Bug + GROUP:OBI:<http://purl.obolibrary.org/obo/obi> + OBI_0000266 + curation status specification + - + - - - pT2 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm in greatest dimension and limited to the kidney. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT2 (kidney) - + + + data about an ontology part + Data about an ontology part is a data item about a part of an ontology, for example a term + Person:Alan Ruttenberg + data about an ontology part + - + - - - pT2a (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm but not more than 10 cm. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT2a (kidney) - + + + + + + + + + + + + + + + plan specification + PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice. + + A directive information entity with action specifications and objective specifications as parts, and that may be concretized as a realizable entity that, if realized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified. + 2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was " a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term. + 2014-03-31: A plan specification can have other parts, such as conditional specifications. + 2022-01-16 Updated definition to that proposed by Clint Dowloand, IAO Issue 231. + Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved + Alan Ruttenberg + Clint Dowland + OBI Plan and Planned Process branch + OBI_0000344 + 2/3/2009 Comment from OBI review. + +Action specification not well enough specified. +Conditional specification not well enough specified. +Question whether all plan specifications have objective specifications. + +Request that IAO either clarify these or change definitions not to use them + plan specification + https://github.com/information-artifact-ontology/IAO/issues/231#issuecomment-1010455131 + - + - - - pT2b (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 10 cm and limited to the kidney. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT2b (kidney) - + + + + A settings datum is a datum that denotes some configuration of an instrument. + 2/3/2009 Feedback from OBI + +This should be a "setting specification". There is a question of whether it is information about a realizable or not. + +Pro other specification are about realizables. +Cons sometimes specifies a quality which is not a realizable. + Alan grouped these in placeholder for the moment. Name by analogy to measurement datum. + setting datum + - + - - - pT3 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor extends into major veins or perinephric tissues but not into the ipsilateral adrenal gland and not beyond the Gerota fascia. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3 (kidney) - + + + + + + + + + + + + + + + obsolescence reason specification + + The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. + The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology. + PERSON: Alan Ruttenberg + PERSON: Melanie Courtot + obsolescence reason specification + - + - - - pT3a (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into the renal vein or its segmental (muscle containing) branches, or the tumor invades perirenal and/or renal sinus fat (peripelvic) fat but not beyond Gerota fascia. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3a (kidney) - + + + + + + + + + + + + denotator type + The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are "natural kinds" and the latter arbitrary collections of entities. + A denotator type indicates how a term should be interpreted from an ontological perspective. + Alan Ruttenberg + Barry Smith, Werner Ceusters + denotator type + - + - - - pT3b (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava below diaphragm. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3b (kidney) - + + + ontology module + I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it. + ontology file + This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology. + ontology module + - + - - - pT3c (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava above the diaphragm or Invades the wall of the vena cava. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT3c (kidney) - + + + base ontology module + An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies. + base ontology module + + - + - - - pT4 (kidney) - - A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor invades beyond Gerota fascia (including contiguous extension into the ipsilateral adrenal gland). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/ - NCI BBRB - pT4 (kidney) - + + + editors ontology module + An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users. + source ontology module + editors ontology module + - + - - - pT0 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that there is no evidence of primary tumor. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT0 (ovary) - + + + main release ontology module + An ontology module that is intended to be the primary release product and the one consumed by the majority of tools. + TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module + main release ontology module + - + - - - pT1 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to the ovaries (one or both). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1 (ovary) - + + + bridge ontology module + An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module. + bridge ontology module + + - + - - - pT1a (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one ovary; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1a (ovary) - + + + import ontology module + A subset ontology module that is intended to be imported from another ontology. + TODO: add axioms that indicate this is the output of a module extraction process. + import file + import ontology module + + - + - - - pT1b (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to both ovaries; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1b (ovary) - + + + subset ontology module + An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms. + ontology slim + subset ontology + subset ontology module + + + - + - - - pT1c (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one or both ovaries with capsule ruptured, tumor on ovarian surface, or malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT1c (ovary) - + + + curation subset ontology module + A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation. + curation subset ontology module + - + - - - pT2 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with pelvic extension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2 (ovary) - + + + analysis ontology module + An ontology module that is intended for usage in analysis or discovery applications. + analysis subset ontology module + - + - - - pT2a (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension and/or implants on uterus and/or tube(s) and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2a (ovary) - + + + single layer ontology module + A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint. + ribbon subset + single layer subset ontology module + - + - - - pT2b (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension to other pelvic tissues and no malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2b (ovary) - + + + exclusion subset ontology module + A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes. + antislim + exclusion subset ontology module + - + - - - pT2c (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has pelvic extension with malignant cells in ascites or peritoneal washings. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT2c (ovary) - + + + external import ontology module + An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach. + external import + external import ontology module + - + - - - pT3 (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with microscopically confirmed peritoneal metastasis outside the pelvis and/or regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3 (ovary) - + + + species subset ontology module + A subset ontology that is crafted to either include or exclude a taxonomic grouping of species. + taxon subset + species subset ontology module + + - + - - - pT3a (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has microscopic peritoneal metastasis beyond pelvis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3a (ovary) - + + + reasoned ontology module + An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available. + reasoned ontology module + + - + - - - pT3b (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has macroscopic peritoneal, metastatasis beyond pelvis, 2 cm or less in greatest dimension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3b (ovary) - + + + generated ontology module + An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV. + TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process + generated ontology module + - + - - - pT3c (ovary) - - A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has peritoneal metastasis beyond pelvis, more than 2 cm in greatest dimension and/or regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/ - NCI BBRB - pT3c (ovary) - + + + template generated ontology module + An ontology module that is automatically generated from a template specification and fillers for slots in that template. + template generated ontology module + + + + - + - - - pN0 (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating no regional lymph node metastsis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN0 (colon) - + + + taxonomic bridge ontology module + taxonomic bridge ontology module + - + - - - pN1 (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1-3 regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1 (colon) - + + + ontology module subsetted by expressivity + ontology module subsetted by expressivity + - - - - - pN1a (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1 regional lymph node. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1a (colon) - - + + + + obo basic subset ontology module + A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. - +Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). - - - pN1b (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 2-3 regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1b (colon) - +An ontology is OBO Basic if and only if it has the following characteristics: +DAG +Unidirectional +No Dangling Clauses +Fully Asserted +Fully Labeled +No equivalence axioms +Singly labeled edges +No qualifier lists +No disjointness axioms +No owl-axioms header +No imports + obo basic subset ontology module + + - + - - - pN1c (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating tumor deposit(s), i.e., satellites in the subserosa, or in non-peritonealized pericolic or perirectal soft tissue without regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN1c (colon) - + + + ontology module subsetted by OWL profile + ontology module subsetted by OWL profile + - + - - - pN2 (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 or more regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN2 (colon) - + + + EL++ ontology module + EL++ ontology module + - + - - - pN2a (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 to 6 regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN2a (colon) - + - + - - - pN2b (colon) - - A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 7 or more regional lymph nodes. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/ - NCI BBRB - pN2b (colon) - + + + + + + + + + + + + + + + + + + + + + + + + + planned process + Injecting mice with a vaccine in order to test its efficacy + + A process that realizes a plan which is the concretization of a plan specification. + 'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.) + We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some +objectives is a planned process. + Bjoern Peters + branch derived + 6/11/9: Edited at workshop. Used to include: is initiated by an agent + This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call) + planned process + - + - - - pN0 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating no regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN0 (lung) - + + + + + + + + + + + + + + + + + + + + processed material + Examples include gel matrices, filter paper, parafilm and buffer solutions, mass spectrometer, tissue samples + + Is a material entity that is created or changed during material processing. + PERSON: Alan Ruttenberg + processed material + - + - - - pN1 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral peribronchial and/or ipsilateral hilar lymph nodes and intrapulmonary nodes, including involvement by direct extension. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN1 (lung) - + + + + + + + + + + + + + + + + + + + + + + + + + + + material processing + A cell lysis, production of a cloning vector, creating a buffer. + + A planned process which results in physical changes in a specified input material + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca Serra + material transformation + OBI branch derived + material processing + - + - - - pN2 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral mediastinal and/or subcarinal lymph node(s). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN2 (lung) - - + + + organization + PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods. + + An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members. + BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: +1) there are organization_member_roles (president, treasurer, branch +editor), with individual persons as bearers - +2) there are organization_roles (employer, owner, vendor, patent holder) - - - pN3 (lung) - - A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in contralateral mediastinal, contralateral hilar, ipsilateral or contralateral scalene, or supraclavicular lymph node(s). - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/ - NCI BBRB - pN3 (lung) - - +3) an organization has a charter / rules / bylaws, which specify what roles +there are, how they should be realized, and how to modify the +charter/rules/bylaws themselves. +It is debatable what the organization itself is (some kind of dependent +continuant or an aggregate of people). This also determines who/what the +bearer of organization_roles' are. My personal favorite is still to define +organization as a kind of 'legal entity', but thinking it through leads to +all kinds of questions that are clearly outside the scope of OBI. - +Interestingly enough, it does not seem to matter much where we place +organization itself, as long as we can subclass it (University, Corporation, +Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, +W3C, University of Oklahoma), and have it play roles. - - - pN0 (kidney) - - A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is no regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/ - NCI BBRB - pN0 (kidney) - +This leads to my proposal: We define organization through the statements 1 - +3 above, but without an 'is a' statement for now. We can leave it in its +current place in the is_a hierarchy (material entity) or move it up to +'continuant'. We leave further clarifications to BFO, and close this issue +for now. + PERSON: Alan Ruttenberg + PERSON: Bjoern Peters + PERSON: Philippe Rocca-Serra + PERSON: Susanna Sansone + GROUP: OBI + organization + - + - - - pN1 (kidney) - - A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/ - NCI BBRB - pN1 (kidney) - + + + contain function + A syringe, a beaker + + A contain function is a function to constrain a material entities location in space + Bill Bug + Daniel Schober + Frank Gibson + Melanie Courtot + contain function + - + - - - pN0 (ovary) - - A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is no regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/ - NCI BBRB - pN0 (ovary) - + + + + + + + + + + + + + + + information processor function + + An information processor function is a function that converts information from one form to another, by a lossless process or an extraction process. + Frank Gibson + data processor function + information processor function + - + - - - pN1 (ovary) - - A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is regional lymph node metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/ - NCI BBRB - pN1 (ovary) - + + + + + + + + + measure function + A glucometer measures blood glucose concentration, the glucometer has a measure function. + + Measure function is a function that is borne by a processed material and realized in a process in which information about some entity is expressed relative to some reference. + PERSON: Daniel Schober + PERSON: Helen Parkinson + PERSON: Melanie Courtot + PERSON:Frank Gibson + measure function + - + - - - cM0 (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there are no symptoms or signs of distant metastasis. - Chris Stoeckert, Helena Ellis - https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29 - NCI BBRB - cM0 (colon) - + + + + + + + + + consume data function + + Process data function is a function that is borne by in a material entity by virtue of its structure. When realized the material entity consumes data. + PERSON: Daniel Schober + PERSON: Frank Gibson + PERSON: Melanie Courtot + consume data function + - + - - - cM1 (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is clinical evidence of distant metastases by history, physical examination, imaging studies, or invasive procedures, but without microscopic evidence of the presumed distant metastases. - Chris Stoeckert, Helena Ellis - https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29 - NCI BBRB - cM1 (colon) - + + + material transformation objective + The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS. + + an objective specifiction that creates an specific output object from input materials. + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca-Serra + artifact creation objective + GROUP: OBI PlanAndPlannedProcess Branch + material transformation objective + - + - - - cM1a (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - cM1a (colon) - + + + + + + + + + + + + + + + + + + + + + manufacturing + + A planned process with the objective to produce a processed material which will have a function for future use. + A person or organization (having manufacturer role) is a participant in this process + Manufacturing implies reproducibility and responsibility AR + This includes a single scientist making a processed material for personal use. + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca-Serra + GROUP: OBI PlanAndPlannedProcess Branch + manufacturing + - + - - - cM1b (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - cM1b (colon) - + + + manufacturing objective + + is the objective to manufacture a material of a certain function (device) + PERSON: Bjoern Peters + PERSON: Frank Gibson + PERSON: Jennifer Fostel + PERSON: Melanie Courtot + PERSON: Philippe Rocca-Serra + GROUP: OBI PlanAndPlannedProcess Branch + manufacturing objective + - + - - - pM1 (colon) + + + vial - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is microscopic evidence confirming distant metastatic disease. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - pM1 (colon) - + A container made from solid material and primarily used for holding liquid. + https://orcid.org/0000-0002-8844-9165 + https://en.wikipedia.org/wiki/Vial + vial + - + - - - pM1a (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ and histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - pM1a (colon) - + + + + + + + + + + + + + + + + manufacturer role + With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role. + + Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process. + GROUP: Role Branch + OBI + manufacturer role + - + - - - pM1b (colon) - - A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum and histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/ - NCI BBRB - pM1b (colon) - + + + + + + + + + + + + + + + + + + + + measurement device + A ruler, a microarray scanner, a Geiger counter. + + A device in which a measure function inheres. + GROUP:OBI Philly workshop + OBI + measurement device + - + - - - cM0 (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is no distant metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM0 (lung) - + + + + + + + + + + + + + + + + + + + + + + + + + manufacturer + + A person or organization that has a manufacturer role. + manufacturer + - + - - - cM1 (lung) + + + test tube - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM1 (lung) - + A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material + Bjoern Peters + collection tube + sample tube + http://en.wikipedia.org/wiki/Test_tube + test tube + - + - - - cM1a (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is based on clinical assessment and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM1a (lung) - + + + + + + + + + + + + + + + + + + + + container + + A device that can be used to restrict the location of material entities over time + 03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?) + PERSON: Bjoern Peters + container + - - - - - cM1b (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - cM1b (lung) - - + + + + + + + + + + device + A voltmeter is a measurement device which is intended to perform some measure function. + An autoclave is a device that sterlizes instruments or contaminated waste by applying high temperature and pressure. + + A material entity that is designed to perform a function in a scientific investigation, but is not a reagent. + 2012-12-17 JAO: In common lab usage, there is a distinction made between devices and reagents that is difficult to model. Therefore we have chosen to specifically exclude reagents from the definition of "device", and are enumerating the types of roles that a reagent can perform. - +2013-6-5 MHB: The following clarifications are outcomes of the May 2013 Philly Workshop. Reagents are distinguished from devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in some chemical interaction or reaction during the realization of their experimental role. By contrast, devices do not participate in such chemical reactions/interactions. Note that there are cases where devices use reagent components during their operation, where the reagent-device distinction is less clear. For example: - - - pM1 (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - pM1 (lung) - - +(1) An HPLC machine is considered a device, but has a column that holds a stationary phase resin as an operational component. This resin qualifies as a device if it participates purely in size exclusion, but bears a reagent role that is realized in the running of a column if it interacts electrostatically or chemically with the evaluant. The container the resin is in (“the column”) considered alone is a device. So the entire column as well as the entire HPLC machine are devices that have a reagent as an operating part. +(2) A pH meter is a device, but its electrode component bears a reagent role in virtue of its interacting directly with the evaluant in execution of an assay. - +(3) A gel running box is a device that has a metallic lead as a component that participates in a chemical reaction with the running buffer when a charge is passed through it. This metallic lead is considered to have a reagent role as a component of this device realized in the running of a gel. - - - pM1a (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is histologically confirmed and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - pM1a (lung) - +In the examples above, a reagent is an operational component of a device, but the device itself does not realize a reagent role (as bearing a reagent role is not transitive across the part_of relation). In this way, the asserted disjointness between a reagent and device holds, as both roles are never realized in the same bearer during execution of an assay. + PERSON: Helen Parkinson + instrument + OBI development call 2012-12-17. + device + - + - - - pM1b (lung) - - A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed and associated with distant lymph nodes or carcinomatosis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/ - NCI BBRB - pM1b (lung) - + + + organism + animal + fungus + plant + virus + + A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs. + 10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms') + 13-02-2009: +OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. +This issue is outside the scope of OBI. + GROUP: OBI Biomaterial Branch + WEB: http://en.wikipedia.org/wiki/Organism + organism + - + - - - cM0 (kidney) - - A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is no distant metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/ - NCI BBRB - cM0 (kidney) - + + + + + + + + + computer + Apple PowerBook, Dell OptiPlex + + A computer is an instrument which manipulates (stores, retrieves, and processes) data according to a list of instructions. + Melanie Courtot + Trish Whetzel + http://en.wikipedia.org/wiki/Computer + computer + - + - - - cM1 (kidney) - - A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/ - NCI BBRB - cM1 (kidney) - + - + - - - pM1 (kidney) - - A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/ - NCI BBRB - pM1 (kidney) - + - + - - - cM0 (ovary) - - A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is no distant metastasis. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/ - NCI BBRB - cM0 (ovary) - + - + - - - cM1 (ovary) - - A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis based on clinical assessment. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/ - NCI BBRB - cM1 (ovary) - - + - - - pM1 (ovary) - - A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis that is histologically confirmed. - Chris Stoeckert, Helena Ellis - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/ - NCI BBRB - pM1 (ovary) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T13:28:30Z + https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific + Thermo Fischer + Thermo FIsher Scientific + Thermo Fisher Scientific Inc. + Thermo Scientific™ + https://thermofisher.com - + - - - Occult Carcinoma (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating a small carcinoma, either asymptomatic or giving rise to metastases without symptoms due to the primary carcinoma. - Chris Stoeckert, Helena Ellis - Occult Carcinoma - http://www.medilexicon.com/dictionary/14371 - NCI BBRB - Occult Carcinoma (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:26:12Z + Magritek + https://magritek.com/ - + - - - Stage 0 (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating a carcinoma in situ (or melanoma in situ for melanoma of the skin or germ cell neoplasia in situ for testicular germ cell tumors) and generally is considered to have no metastatic potential. - Chris Stoeckert, Helena Ellis - Stage 0 - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage 0 (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:30:14Z + Nanalysis + https://www.nanalysis.com/ - + - - - Stage I (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers that are smaller or less deeply invasive without regional disease or nodes. - Chris Stoeckert, Helena Ellis - Stage I - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage I (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:32:08Z + NMR Service + NMR Service GmbH + https://nmr-service.de/ - + - - - Stage IIA (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIB and IIC. - Chris Stoeckert, Helena Ellis - Stage IIA - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIA (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:33:47Z + Deutero + https://www.deutero.de/ - + - - - Stage IIB (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIC. - Chris Stoeckert, Helena Ellis - Stage IIB - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIB (AJCC 7th) + + + + 2024-08-26T14:36:15Z + Norell® + https://secure.nmrtubes.com/ - + - - - Stage IIC (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIB. - Chris Stoeckert, Helena Ellis - Stage IIC - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIC (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:40:56Z + Chemagnetics - + - - - Stage IIIA (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIB and IIIC. - Chris Stoeckert, Helena Ellis - Stage IIIA - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIIA (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 2024-08-26T14:42:26Z + Nalorac - + - - - Stage IIIB (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIC. - Chris Stoeckert, Helena Ellis - Stage IIIB - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIIB (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + GB0006650450 + https://en.wikipedia.org/wiki/Oxford_Instruments + Oxford Instruments + https://www.oxinst.com - + - - - Stage IIIC (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIB. - Chris Stoeckert, Helena Ellis - Stage IIIC - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IIIC (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Spinlock SRL + Spinlock + https://spinlock.com.ar - + - - - Stage IVA (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVB. - Chris Stoeckert, Helena Ellis - Stage IVA - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IVA (AJCC 7th) + + + General Electric - + - - - Stage IVB (AJCC 7th) - - A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVA. - Chris Stoeckert, Helena Ellis - Stage IVB - https://en.wikipedia.org/wiki/Cancer_staging - NCI BBRB - Stage IVB (AJCC 7th) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Kimble Chase + Kimble Chase Life Science and Research Products LLC + https://www.dwk.com/about-us - + - - - Stage IA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating invasive carcinoma which can be diagnosed only by microscopy, with deepest invasion <5 mm and the largest extension <7 mm. - Chris Stoeckert, Helena Ellis - Stage IA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IA (FIGO) + + + Phillips - + - - - Stage IA1 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of <3.0 mm in depth and extension of <7.0 mm. - Chris Stoeckert, Helena Ellis - Stage IA1 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IA1 (FIGO) + + Siemens AG - + - - - Stage IA2 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of >3.0 mm and not >5.0 mm with an extension of not >7.0 mm. - Chris Stoeckert, Helena Ellis - Stage IA2 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IA2 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/Bruker + Bruker + Bruker Corporation + https://www.bruker.com - + - - - Stage IB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesions limited to the cervix uteri or pre-clinical cancers greater than stage IA - Chris Stoeckert, Helena Ellis - Stage IB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IB (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/Varian,_Inc. + Varian + Varian, Inc. - + - - - Stage IB1 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA <4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IB1 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IB1 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/JEOL + JEOL + Nihon Denshi Kabushiki-kaisha + 日本電子 + https://www.jeol.co.jp - + - - - Stage IB2 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA >4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IB2 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IB2 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + MR Resources + https://www.mrr.com/ - + - - - Stage IIA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion. - Chris Stoeckert, Helena Ellis - Stage IIA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIA (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + tecmag + Tecmag + https://tecmag.com/ - + - - - Stage IIA1 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion <4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IIA1 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIA1 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Doty Scientific + Doty Scientific, Inc. + https://dotynmr.com - + - - - Stage IIA2 (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion >4.0 cm in greatest dimension. - Chris Stoeckert, Helena Ellis - Stage IIA2 - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIA2 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + Wilmad + https://sp-wilmadlabglass.com/ - + - - - Stage IIB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina with obvious parametrial invasion. - Chris Stoeckert, Helena Ellis - Stage IIB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIB (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + JS Research + J S RESEARCH INC. + JSR + https://www.jsresearch.com/ - + - - - Stage IIIA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating tumour involves lower third of the vagina, with no extension to the pelvic wall. - Chris Stoeckert, Helena Ellis - Stage IIIA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIIA (FIGO) + + + Acorn NMR Inc - + - - - Stage IIIB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating extension to the pelvic wall and/or hydronephrosis or non-functioning kidney. - Chris Stoeckert, Helena Ellis - Stage IIIB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IIIB (FIGO) + + + ThermoMattson - + - - - Stage IVA (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread of the growth to adjacent organs. - Chris Stoeckert, Helena Ellis - Stage IVA - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IVA (FIGO) + + + FOSS - + - - - Stage IVB (FIGO) - - An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread to distant organs. - Chris Stoeckert, Helena Ellis - Stage IVB - https://en.wikipedia.org/wiki/Cervical_cancer_staging - NCI BBRB - Stage IVB (FIGO) + + + Jasco - + - - - Stage 1 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1 (FIGO) + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + https://en.wikipedia.org/wiki/Agilent_Technologies + Agilent Technologies + https://www.agilent.com/ - + - - - Stage 1A (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1a, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1A - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1A (FIGO) + + + micromass - + - - - Stage 1B (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1b, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1B - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1B (FIGO) + + + Waters - + - - - Stage 1C (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1c, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 1C - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 1C (FIGO) + + + ThermoNicolet - + - - - Stage 2 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2 (FIGO) + + + Perkin Elmer - + - - - Stage 2A (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2a, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2A - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2A (FIGO) + + + OceanOptics - + - - - Stage 2B (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2b, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2B - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2B (FIGO) + + + ThermoFinnigan - + - - - Stage 2C (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2c, N0, and M0. - Chris Stoeckert, Helena Ellis - Stage 2C - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 2C (FIGO) + + + Applied Biosystems - + - - - Stage 3 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3, N0, and M0) or (T3,3a,3b, NX, and M0). - Chris Stoeckert, Helena Ellis - Stage 3 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3 (FIGO) + + + TX - + - - - Stage 3A (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3a, N0, and M0 . - Chris Stoeckert, Helena Ellis - Stage 3A - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3A (FIGO) + + + acdlabs - + - - - Stage 3B (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3b, N0, and M0 . - Chris Stoeckert, Helena Ellis - Stage 3B - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3B (FIGO) + + + example to be eventually removed + example to be eventually removed - + - - - Stage 3C (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3c, N0,X and M0) or (any T, N1 and M0). - Chris Stoeckert, Helena Ellis - Stage 3C - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 3C (FIGO) + + + failed exploratory term + The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job + Person:Alan Ruttenberg + failed exploratory term - + - - - Stage 4 (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of any T, any N, and M1. - Chris Stoeckert, Helena Ellis - Stage 4 - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage 4 (FIGO) + + + metadata complete + Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete. + metadata complete - + - - - Stage Unknown (FIGO) - - A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T0, N0, and M0) or (T1,1a-1c,2,2a-2c, NX, and M0) or (TX, N0,X, M0). - Chris Stoeckert, Helena Ellis - Stage Unknown - https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/ - NCI BBRB - Stage Unknown (FIGO) + + + organizational term + Term created to ease viewing/sort terms for development purpose, and will not be included in a release + organizational term - + - - - 3: symptomatic in bed more than 50% of the day but not bed ridden - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and in bed for more than 50% of the day but is not bed ridden. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 3: symptomatic in bed more than 50% of the day but not bed ridden + + + ready for release + Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking "ready_for_release" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed "ready_for_release" will also derived from a chain of ancestor classes that are also "ready_for_release." + ready for release - + - - - 2: symptomatic but in bed less than 50% of the day - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is in bed for less than 50% of the day. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 2: symptomatic but in bed less than 50% of the day + + + metadata incomplete + Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors. + metadata incomplete - + - - - 4: bed ridden - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and is bed ridden. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 4: bed ridden + + + uncurated + Nothing done yet beyond assigning a unique class ID and proposing a preferred term. + uncurated - + - - - 0: asymptomatic - - An Eastern Cooperative Oncology Group score value specification indicating a patient is asymptomatic. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 0: asymptomatic + + + pending final vetting + All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor. + pending final vetting - + - - - 1: symptomatic but fully ambulatory - - An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is fully ambulatory. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 1: symptomatic but fully ambulatory + + Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes. + PERSON: Alan Ruttenberg + PERSON: Melanie Courtot + + obsolete_core + true - + - - - 100: asymptomatic - - A Karnofsky score vaue specification indicating that a patient is asymptomatic. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 100: asymptomatic + + + placeholder removed + placeholder removed - + - - - 80-90: symptomatic but fully ambulatory - - A Karnofsky score vaue specification indicating that a patient is symptomatic but fully ambulatory. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 80-90: symptomatic but fully ambulatory + + + terms merged + An editor note should explain what were the merged terms and the reason for the merge. + terms merged - + - - - 60-70: symptomatic but in bed less than 50% of the day - - A Karnofsky score vaue specification indicating that a patient is symptomatic but in bed less than 50% of the day. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 60-70: symptomatic but in bed less than 50% of the day + + + term imported + This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use. + term imported - + - - - 40-50: symptomatic, in bed more than 50% of the day, but not bed ridden - - A Karnofsky score vaue specification indicating that a patient is symptomatic, in bed more than 50% of the day, but not bed ridden. - Chris Stoeckert, Helena Ellis - NCI BBRB, OBI - NCI BBRB - 40-50: symptomatic, in bed more than 50% of the day, but not bed ridden + + + term split + This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created. + term split - + - - - Oxford Nanopore Technologies - - An organization that is developing and selling nanopore sequencing products and is based in the UK. - James A. Overton - https://en.wikipedia.org/wiki/Oxford_Nanopore_Technologies - Oxford Nanopore Technologies + + + universal + Hard to give a definition for. Intuitively a "natural kind" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents. + Alan Ruttenberg + A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf + universal - + - - - BioGents - - An organization that manufactures mosquito traps and other mosquito control products. - John Judkins - WEB:https://eu.biogents.com/about-biogents/ - BioGents + + + defined class + A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal + "definitions", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal. + Alan Ruttenberg + defined class - + - - - Abbott - - A manufacturer of rapid point-of-care assay devices. - John Judkins ORCID:0000-0001-6595-0902 - WEB:https://www.globalpointofcare.abbott/en/about.html - https://github.com/obi-ontology/obi/issues/1456 - Abbott + + + named class expression + A named class expression is a logical expression that is given a name. The name can be used in place of the expression. + named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions + Alan Ruttenberg + named class expression - + - - - J. Mitra - - A manufacturer of in vitro diagnostic assay kits in India. - John Judkins ORCID:0000-0001-6595-0902 - WEB:https://jmitra.co.in/about-us/ - https://github.com/obi-ontology/obi/issues/1456 - J. Mitra + + + to be replaced with external ontology term + Terms with this status should eventually replaced with a term from another ontology. + Alan Ruttenberg + group:OBI + to be replaced with external ontology term - + - - - InBios - - A manufacturer that specializes in in vitro diagnostic devices designed to test for infectious diseases. - John Judkins ORCID:0000-0001-6595-0902 - WEB:https://inbios.com/about/ - https://github.com/obi-ontology/obi/issues/1456 - InBios + + + requires discussion + A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues. + Alan Ruttenberg + group:OBI + requires discussion @@ -10221,39 +31494,16 @@ class labels for these objects. The resulting predictor can be used to attach cl /////////////////////////////////////////////////////////////////////////////////////// --> - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + @@ -10276,1365 +31526,9 @@ class labels for these objects. The resulting predictor can be used to attach cl - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - true - MF(X)-directly_regulates->MF(Y)-enabled_by->GP(Z) => MF(Y)-has_input->GP(Y) e.g. if 'protein kinase activity'(X) directly_regulates 'protein binding activity (Y)and this is enabled by GP(Z) then X has_input Z - infer input from direct reg - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - GP(X)-enables->MF(Y)-has_part->MF(Z) => GP(X) enables MF(Z), -e.g. if GP X enables ATPase coupled transporter activity' and 'ATPase coupled transporter activity' has_part 'ATPase activity' then GP(X) enables 'ATPase activity' - enabling an MF enables its parts - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - true - GP(X)-enables->MF(Y)-part_of->BP(Z) => GP(X) involved_in BP(Z) e.g. if X enables 'protein kinase activity' and Y 'part of' 'signal tranduction' then X involved in 'signal transduction' - involved in BP - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - If a molecular function (X) has a regulatory subfunction, then any gene product which is an input to that subfunction has an activity that directly_regulates X. Note: this is intended for cases where the regaultory subfunction is protein binding, so it could be tightened with an additional clause to specify this. - inferring direct reg edge from input to regulatory subfunction - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - inferring direct neg reg edge from input to regulatory subfunction - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - inferring direct positive reg edge from input to regulatory subfunction - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - effector input is compound function input - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Input of effector is input of its parent MF - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - if effector directly regulates X, its parent MF directly regulates X - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - if effector directly positively regulates X, its parent MF directly positively regulates X - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - if effector directly negatively regulates X, its parent MF directly negatively regulates X - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 'causally downstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties). - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 'causally upstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties). - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + diff --git a/nmrCV.ttl b/nmrCV.ttl index fc7b0f2..1c5b459 100644 --- a/nmrCV.ttl +++ b/nmrCV.ttl @@ -1,28 +1,89 @@ -@prefix : . +@prefix : . @prefix dce: . @prefix obo: . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . +@prefix doap: . @prefix foaf: . @prefix rdfs: . @prefix skos: . -@prefix swrl: . -@prefix swrla: . -@prefix swrlb: . +@prefix chebi: . +@prefix chebi1: . +@prefix chebi2: . +@prefix chebi3: . @prefix dcterms: . @prefix protege: . @prefix subsets: . @prefix oboInOwl: . -@base . - - rdf:type owl:Ontology ; - owl:versionIRI ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; - dcterms:license ; - dcterms:title "nuclear magnetic resonance CV" ; - owl:versionInfo "2023-11-23" . +@base . + + rdf:type owl:Ontology ; + owl:versionIRI ; + dce:contributor "Annick Moing" , + "Catherine Deborde" , + "Daniel Jacob" , + "Daniel Schober" , + "Joseph Cruz" , + "Michael Wilson" , + "Philippe Rocca-Serra" , + "Reza Salek" , + """Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen""" , + "Steffen Neumann" ; + dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project.""" ; + dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:license ; + dcterms:title "nuclear magnetic resonance CV" ; + doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." ; + doap:bug-database "https://github.com/nmrML/nmrML/issues" ; + doap:documenter "Daniel Schober" ; + doap:implements "https://github.com/nmrML/nmrML" ; + doap:location "https://github.com/nmrML/nmrCV" ; + doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" ; + doap:maintainer "https://www.wikidata.org/wiki/Q96678459" ; + owl:deprecated "http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo" ; + owl:versionInfo "2.0_alpha" , + "2025-02-18" . ################################################################# # Annotation properties @@ -113,11 +174,32 @@ We don't have definitions of 'meaning' or 'expression' or 'property'. For 'refer Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. -We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with."""@en ; +We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with."""@en , + """2012-04-05: +Barry Smith + +The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. + +Can you fix to something like: + +A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. + +Alan Ruttenberg + +Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. + +On the specifics of the proposed definition: + +We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. + +Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. + +We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. """@en ; obo:IAO_0000117 "PERSON:Daniel Schober"@en ; obo:IAO_0000119 "GROUP:OBI:"@en ; rdfs:isDefinedBy obo:iao.owl ; - rdfs:label "definition"@en . + rdfs:label "definition" , + "definition"@en . ### http://purl.obolibrary.org/obo/IAO_0000116 @@ -607,27 +689,18 @@ obo:OMO_0003012 rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . -### http://purl.obolibrary.org/obo/RO_0001900 -obo:RO_0001900 rdf:type owl:AnnotationProperty . - - -### http://purl.obolibrary.org/obo/RO_0002259 -obo:RO_0002259 rdf:type owl:AnnotationProperty ; - rdfs:subPropertyOf oboInOwl:SubsetProperty . - - -### http://purl.obolibrary.org/obo/RO_0002575 -obo:RO_0002575 rdf:type owl:AnnotationProperty . - - -### http://purl.obolibrary.org/obo/RO_0002579 -obo:RO_0002579 rdf:type owl:AnnotationProperty . +### http://purl.obolibrary.org/obo/OMO_0004000 +obo:OMO_0004000 rdf:type owl:AnnotationProperty ; + obo:IAO_0000112 "A serial number such as \"12324X\"; a stop sign; a written proper name such as \"OBI" ; + obo:IAO_0000115 "An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-03-25"^^xsd:date ; + rdfs:label "has symbol" . -### http://purl.obolibrary.org/obo/RO_0002581 -obo:RO_0002581 rdf:type owl:AnnotationProperty ; - obo:IAO_0000115 "If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL" ; - rdfs:label "is a defining property chain axiom" . +### http://purl.obolibrary.org/obo/RO_0001900 +obo:RO_0001900 rdf:type owl:AnnotationProperty . ### http://purl.obolibrary.org/obo/RO_0002582 @@ -636,14 +709,6 @@ obo:RO_0002582 rdf:type owl:AnnotationProperty ; rdfs:label "is a defining property chain axiom where second argument is reflexive" . -### http://purl.obolibrary.org/obo/RO_0004049 -obo:RO_0004049 rdf:type owl:AnnotationProperty . - - -### http://purl.obolibrary.org/obo/RO_0004050 -obo:RO_0004050 rdf:type owl:AnnotationProperty . - - ### http://purl.obolibrary.org/obo/RO_0040042 obo:RO_0040042 rdf:type owl:AnnotationProperty . @@ -668,6 +733,54 @@ obo:valid_for_gocam rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf oboInOwl:SubsetProperty . +### http://purl.obolibrary.org/obo/chebi#BRAND_NAME +chebi1:BRAND_NAME rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . + + +### http://purl.obolibrary.org/obo/chebi#IUPAC_NAME +chebi1:IUPAC_NAME rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SynonymTypeProperty . + + +### http://purl.obolibrary.org/obo/chebi#2_STAR +chebi2:_STAR rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SubsetProperty . + + +### http://purl.obolibrary.org/obo/chebi#3_STAR +chebi3:_STAR rdf:type owl:AnnotationProperty ; + rdfs:subPropertyOf oboInOwl:SubsetProperty . + + +### http://purl.obolibrary.org/obo/chebi/charge +chebi:charge rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/formula +chebi:formula rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/inchi +chebi:inchi rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/inchikey +chebi:inchikey rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/mass +chebi:mass rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/monoisotopicmass +chebi:monoisotopicmass rdf:type owl:AnnotationProperty . + + +### http://purl.obolibrary.org/obo/chebi/smiles +chebi:smiles rdf:type owl:AnnotationProperty . + + ### http://purl.obolibrary.org/obo/ro/subsets#ro-eco subsets:ro-eco rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf oboInOwl:SubsetProperty . @@ -745,8 +858,8 @@ dcterms:contributor rdf:type owl:AnnotationProperty . dcterms:created rdf:type owl:AnnotationProperty . -### http://purl.org/dc/terms/creator -dcterms:creator rdf:type owl:AnnotationProperty . +### http://purl.org/dc/terms/date +dcterms:date rdf:type owl:AnnotationProperty . ### http://purl.org/dc/terms/description @@ -754,6 +867,10 @@ dcterms:description rdf:type owl:AnnotationProperty ; rdfs:label "description" . +### http://purl.org/dc/terms/identifier +dcterms:identifier rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/terms/license dcterms:license rdf:type owl:AnnotationProperty ; rdfs:label "license" . @@ -768,8 +885,32 @@ dcterms:title rdf:type owl:AnnotationProperty ; rdfs:label "title" . -### http://swrl.stanford.edu/ontologies/3.3/swrla.owl#isRuleEnabled -swrla:isRuleEnabled rdf:type owl:AnnotationProperty . +### http://usefulinc.com/ns/doap#audience +doap:audience rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#bug-database +doap:bug-database rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#documenter +doap:documenter rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#implements +doap:implements rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#location +doap:location rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#mailing-list +doap:mailing-list rdf:type owl:AnnotationProperty . + + +### http://usefulinc.com/ns/doap#maintainer +doap:maintainer rdf:type owl:AnnotationProperty . ### http://www.geneontology.org/formats/oboInOwl#SubsetProperty @@ -780,6 +921,14 @@ oboInOwl:SubsetProperty rdf:type owl:AnnotationProperty . oboInOwl:SynonymTypeProperty rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#auto-generated-by +oboInOwl:auto-generated-by rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#consider +oboInOwl:consider rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#created_by oboInOwl:created_by rdf:type owl:AnnotationProperty . @@ -788,10 +937,18 @@ oboInOwl:created_by rdf:type owl:AnnotationProperty . oboInOwl:creation_date rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#date +oboInOwl:date rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#default-namespace oboInOwl:default-namespace rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#hasAlternativeId +oboInOwl:hasAlternativeId rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#hasBroadSynonym oboInOwl:hasBroadSynonym rdf:type owl:AnnotationProperty ; obo:IAO_0000115 "An alternative label for a class or property which has a more general meaning than the preferred name/primary label." ; @@ -803,7 +960,14 @@ oboInOwl:hasBroadSynonym rdf:type owl:AnnotationProperty ; ### http://www.geneontology.org/formats/oboInOwl#hasDbXref -oboInOwl:hasDbXref rdf:type owl:AnnotationProperty . +oboInOwl:hasDbXref rdf:type owl:AnnotationProperty ; + obo:IAO_0000112 "disease characteristic (MONDO:0021125) has cross-reference (http://www.geneontology.org/formats/oboInOwl#hasDbXref) \"NCIT:C41009\"^^xsd:string" ; + obo:IAO_0000115 "An annotation property that links an ontology entity or a statement to a prefixed identifier or URI." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-03-18"^^xsd:date ; + rdfs:label "database_cross_reference" , + "has cross-reference" . ### http://www.geneontology.org/formats/oboInOwl#hasExactSynonym @@ -811,7 +975,8 @@ oboInOwl:hasExactSynonym rdf:type owl:AnnotationProperty ; obo:IAO_0000115 "An alternative label for a class or property which has the exact same meaning than the preferred name/primary label." ; obo:IAO_0000117 ; obo:IAO_0000233 "https://github.com/information-artifact-ontology/ontology-metadata/issues/20" ; - rdfs:label "has exact synonym"@en ; + rdfs:label "has exact synonym"@en , + "has_exact_synonym" ; rdfs:seeAlso "https://github.com/information-artifact-ontology/ontology-metadata/issues/20" ; rdfs:subPropertyOf obo:IAO_0000118 . @@ -827,7 +992,13 @@ oboInOwl:hasNarrowSynonym rdf:type owl:AnnotationProperty ; ### http://www.geneontology.org/formats/oboInOwl#hasOBOFormatVersion -oboInOwl:hasOBOFormatVersion rdf:type owl:AnnotationProperty . +oboInOwl:hasOBOFormatVersion rdf:type owl:AnnotationProperty ; + rdfs:label "has_obo_format_version" . + + +### http://www.geneontology.org/formats/oboInOwl#hasOBONamespace +oboInOwl:hasOBONamespace rdf:type owl:AnnotationProperty ; + rdfs:label "has_obo_namespace" . ### http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym @@ -840,16 +1011,40 @@ oboInOwl:hasRelatedSynonym rdf:type owl:AnnotationProperty ; rdfs:subPropertyOf obo:IAO_0000118 . +### http://www.geneontology.org/formats/oboInOwl#hasSynonymType +oboInOwl:hasSynonymType rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#id +oboInOwl:id rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#inSubset oboInOwl:inSubset rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#is_cyclic +oboInOwl:is_cyclic rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#is_inferred +oboInOwl:is_inferred rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#is_transitive +oboInOwl:is_transitive rdf:type owl:AnnotationProperty . + + ### http://www.geneontology.org/formats/oboInOwl#saved-by oboInOwl:saved-by rdf:type owl:AnnotationProperty . -### http://www.w3.org/2000/01/rdf-schema#comment -rdfs:comment rdf:type owl:AnnotationProperty . +### http://www.geneontology.org/formats/oboInOwl#shorthand +oboInOwl:shorthand rdf:type owl:AnnotationProperty . + + +### http://www.geneontology.org/formats/oboInOwl#source +oboInOwl:source rdf:type owl:AnnotationProperty . ### http://www.w3.org/2000/01/rdf-schema#isDefinedBy @@ -864,8 +1059,24 @@ rdfs:label rdf:type owl:AnnotationProperty . rdfs:seeAlso rdf:type owl:AnnotationProperty . -### http://www.w3.org/2004/02/skos/core#closeMatch -skos:closeMatch rdf:type owl:AnnotationProperty . +### http://www.w3.org/2004/02/skos/core#altLabel +skos:altLabel rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#definition +skos:definition rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#editorialNote +skos:editorialNote rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#example +skos:example rdf:type owl:AnnotationProperty . + + +### http://www.w3.org/2004/02/skos/core#scopeNote +skos:scopeNote rdf:type owl:AnnotationProperty . ### http://xmlns.com/foaf/0.1/homepage @@ -939,53 +1150,52 @@ obo:BFO_0000051 rdf:type owl:ObjectProperty ; A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'."""@en ; obo:IAO_0000118 "has_part"@en ; obo:RO_0001900 obo:RO_0001901 ; + oboInOwl:hasDbXref "BFO:0000051" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "has_part" ; oboInOwl:inSubset obo:valid_for_go_annotation_extension , obo:valid_for_go_ontology , obo:valid_for_gocam ; - rdfs:label "has part"@en . + oboInOwl:is_cyclic "false"^^xsd:boolean ; + oboInOwl:shorthand "has_part" ; + rdfs:label "has part" , + "has part"@en . + + +### http://purl.obolibrary.org/obo/BFO_0000054 +obo:BFO_0000054 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:BFO_0000055 ; + rdfs:domain obo:BFO_0000017 ; + rdfs:range obo:BFO_0000015 ; + obo:IAO_0000111 "realized in"@en ; + obo:IAO_0000112 "this disease is realized in this disease course"@en , + "this fragility is realized in this shattering"@en , + "this investigator role is realized in this investigation"@en ; + obo:IAO_0000118 "is realized by"@en , + "realized_in"@en ; + obo:IAO_0000600 "[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])"@en ; + rdfs:comment "Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process" ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "realized in"@en . ### http://purl.obolibrary.org/obo/BFO_0000055 -obo:BFO_0000055 rdf:type owl:ObjectProperty . - - -### http://purl.obolibrary.org/obo/BFO_0000062 -obo:BFO_0000062 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002086 ; - owl:inverseOf obo:BFO_0000063 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - owl:propertyChainAxiom ( obo:BFO_0000050 - obo:BFO_0000062 - ) ; - obo:IAO_0000111 "preceded by"@en ; - obo:IAO_0000115 "x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point."@en ; - obo:IAO_0000116 "An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other."@en ; - obo:IAO_0000118 "is preceded by"@en , - "preceded_by"@en ; - dcterms:source "http://www.obofoundry.org/ro/#OBO_REL:preceded_by" ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "preceded by"@en . - - -### http://purl.obolibrary.org/obo/BFO_0000063 -obo:BFO_0000063 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002222 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - owl:propertyChainAxiom ( obo:BFO_0000050 - obo:BFO_0000063 - ) ; - obo:IAO_0000111 "precedes"@en ; - obo:IAO_0000115 "x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point."@en ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "precedes"@en . +obo:BFO_0000055 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000015 ; + rdfs:range obo:BFO_0000017 ; + obo:IAO_0000111 "realizes"@en ; + obo:IAO_0000112 "this disease course realizes this disease"@en , + "this investigation realizes this investigator role"@en , + "this shattering realizes this fragility"@en ; + obo:IAO_0000600 "to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])"@en ; + rdfs:comment "Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process" ; + rdfs:isDefinedBy obo:iao.owl ; + rdfs:label "realizes"@en . ### http://purl.obolibrary.org/obo/IAO_0000136 obo:IAO_0000136 rdf:type owl:ObjectProperty ; + rdfs:domain obo:IAO_0000030 ; obo:IAO_0000112 "This document is about information artifacts and their representations"@en ; obo:IAO_0000114 obo:IAO_0000125 ; obo:IAO_0000115 "A (currently) primitive relation that relates an information artifact to an entity."@en ; @@ -1001,77 +1211,103 @@ Some currently missing phenomena that should be considered \"about\" are predica ### http://purl.obolibrary.org/obo/OBI_0000293 obo:OBI_0000293 rdf:type owl:ObjectProperty ; - owl:equivalentProperty [ owl:inverseOf obo:OBI_0000295 - ] ; rdfs:subPropertyOf obo:RO_0000057 ; - obo:IAO_0000111 "has_specified_input" , - "has_specified_input"@en ; + owl:inverseOf obo:OBI_0000295 ; + rdfs:domain obo:OBI_0000011 ; + obo:IAO_0000111 "has specified input" ; obo:IAO_0000112 "see is_input_of example_of_usage"@en ; obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "The inverse property of is_specified_input_of"@en ; + obo:IAO_0000115 "The inverse property of is specified input of"@en ; obo:IAO_0000116 "8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works." ; obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , "PERSON: Bjoern Peters" , "PERSON: Larry Hunter" , "PERSON: Melanie Coutot" ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "has_specified_input"@en . + rdfs:label "has specified input"@en . ### http://purl.obolibrary.org/obo/OBI_0000295 obo:OBI_0000295 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000056 ; - obo:IAO_0000111 "is_specified_input_of" ; + rdfs:range obo:OBI_0000011 ; + obo:IAO_0000111 "is specified input of" ; obo:IAO_0000112 "some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay"@en ; obo:IAO_0000114 obo:IAO_0000122 ; obo:IAO_0000115 "A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of."@en ; obo:IAO_0000117 "Alan Ruttenberg"@en , "PERSON:Bjoern Peters" ; - rdfs:label "is_specified_input_of"@en . + rdfs:label "is specified input of"@en . ### http://purl.obolibrary.org/obo/OBI_0000299 obo:OBI_0000299 rdf:type owl:ObjectProperty ; - owl:equivalentProperty [ owl:inverseOf obo:OBI_0000312 - ] ; rdfs:subPropertyOf obo:RO_0000057 ; - obo:IAO_0000111 "has_specified_output" , - "has_specified_output"@en ; + owl:inverseOf obo:OBI_0000312 ; + rdfs:domain obo:OBI_0000011 ; + obo:IAO_0000111 "has specified output" ; obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "The inverse property of is_specified_output_of"@en ; + obo:IAO_0000115 "The inverse property of is specified output of"@en ; obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , "PERSON: Bjoern Peters" , "PERSON: Larry Hunter" , "PERSON: Melanie Courtot" ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "has_specified_output"@en . + rdfs:label "has specified output"@en . + + +### http://purl.obolibrary.org/obo/OBI_0000304 +obo:OBI_0000304 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000040 ; + rdfs:range obo:OBI_0000835 ; + obo:IAO_0000111 "is_manufactured_by"@en ; + obo:IAO_0000112 "http://www.affymetrix.com/products/arrays/specific/hgu133.affx is_manufactered_by http://www.affymetrix.com/ (if we decide to use these URIs for the actual entities)"@en ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "c is_manufactured_by o means that there was a process p in which c was built in which a person, or set of people or machines did the work(bore the \"Manufacturer Role\", and those people/and or machines were members or of directed by the organization to do this."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en , + "Liju Fan"@en ; + obo:IAO_0000118 "has_make"@en , + "has_manufacturer"@en ; + rdfs:label "is_manufactured_by"@en . ### http://purl.obolibrary.org/obo/OBI_0000312 obo:OBI_0000312 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000056 ; - obo:IAO_0000111 "is_specified_output_of" , - "is_specified_output_of"@en ; + rdfs:range obo:OBI_0000011 ; + obo:IAO_0000111 "is specified output of" ; obo:IAO_0000114 obo:IAO_0000122 ; obo:IAO_0000115 "A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of."@en ; obo:IAO_0000117 "Alan Ruttenberg"@en , "PERSON:Bjoern Peters" ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "is_specified_output_of"@en . + rdfs:label "is specified output of"@en . ### http://purl.obolibrary.org/obo/OBI_0000417 obo:OBI_0000417 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:OBI_0000833 ; + rdfs:domain obo:OBI_0000011 ; + rdfs:range obo:IAO_0000005 ; obo:IAO_0000111 "achieves_planned_objective" ; obo:IAO_0000112 "A cell sorting process achieves the objective specification 'material separation objective'" ; obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process." ; + obo:IAO_0000115 "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process."@en ; obo:IAO_0000117 "BP, AR, PPPB branch" ; obo:IAO_0000119 "PPPB branch derived" ; obo:IAO_0000232 "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch" ; rdfs:label "achieves_planned_objective" . +### http://purl.obolibrary.org/obo/OBI_0000833 +obo:OBI_0000833 rdf:type owl:ObjectProperty ; + rdfs:domain obo:IAO_0000005 ; + rdfs:range obo:OBI_0000011 ; + obo:IAO_0000111 "objective_achieved_by" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process."@en ; + obo:IAO_0000117 "OBI" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "objective_achieved_by" . + + ### http://purl.obolibrary.org/obo/RO_0000052 obo:RO_0000052 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002314 ; @@ -1121,6 +1357,10 @@ obo:RO_0000057 rdf:type owl:ObjectProperty ; rdfs:domain obo:BFO_0000003 ; rdfs:range obo:BFO_0000002 ; owl:propertyChainAxiom ( obo:BFO_0000051 + obo:BFO_0000055 + obo:RO_0000052 + ) , + ( obo:BFO_0000051 obo:RO_0000057 ) ; obo:IAO_0000111 "has participant"@en ; @@ -1134,8 +1374,25 @@ obo:RO_0000057 rdf:type owl:ObjectProperty ; rdfs:label "has participant"@en . +### http://purl.obolibrary.org/obo/RO_0000058 +obo:RO_0000058 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:RO_0000059 ; + rdfs:domain obo:BFO_0000031 ; + rdfs:range obo:BFO_0000020 ; + obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , + "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; + obo:IAO_0000115 "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en ; + rdfs:label "is concretized as"@en . + + ### http://purl.obolibrary.org/obo/RO_0000059 -obo:RO_0000059 rdf:type owl:ObjectProperty . +obo:RO_0000059 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000020 ; + rdfs:range obo:BFO_0000031 ; + obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , + "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; + obo:IAO_0000115 "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en ; + rdfs:label "concretizes"@en . ### http://purl.obolibrary.org/obo/RO_0000079 @@ -1152,19 +1409,6 @@ obo:RO_0000079 rdf:type owl:ObjectProperty ; rdfs:label "function of"@en . -### http://purl.obolibrary.org/obo/RO_0000080 -obo:RO_0000080 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000052 ; - owl:inverseOf obo:RO_0000086 ; - obo:IAO_0000112 "this red color is a quality of this apple"@en ; - obo:IAO_0000115 "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en ; - obo:IAO_0000116 "A quality inheres in its bearer at all times for which the quality exists."@en ; - obo:IAO_0000118 "is quality of"@en , - "quality_of"@en ; - rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; - rdfs:label "quality of"@en . - - ### http://purl.obolibrary.org/obo/RO_0000081 obo:RO_0000081 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000052 ; @@ -1190,17 +1434,6 @@ obo:RO_0000085 rdf:type owl:ObjectProperty ; rdfs:label "has function"@en . -### http://purl.obolibrary.org/obo/RO_0000086 -obo:RO_0000086 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000053 ; - rdfs:range obo:BFO_0000019 ; - obo:IAO_0000112 "this apple has quality this red color"@en ; - obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en ; - obo:IAO_0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en ; - obo:IAO_0000118 "has_quality"@en ; - rdfs:label "has quality"@en . - - ### http://purl.obolibrary.org/obo/RO_0000087 obo:RO_0000087 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000053 ; @@ -1210,180 +1443,14 @@ obo:RO_0000087 rdf:type owl:ObjectProperty ; obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence"@en ; obo:IAO_0000116 "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists."@en ; obo:IAO_0000118 "has_role"@en ; - rdfs:label "has role"@en . - - -### http://purl.obolibrary.org/obo/RO_0000091 -obo:RO_0000091 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000053 ; - owl:inverseOf obo:RO_0000092 ; - rdfs:domain obo:BFO_0000004 ; - rdfs:range obo:BFO_0000016 ; - obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence"@en ; - rdfs:label "has disposition"@en . - - -### http://purl.obolibrary.org/obo/RO_0000092 -obo:RO_0000092 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000052 ; - obo:IAO_0000115 "inverse of has disposition" ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; - rdfs:label "disposition of"@en . - - -### http://purl.obolibrary.org/obo/RO_0002013 -obo:RO_0002013 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002017 , - obo:RO_0002334 ; - obo:IAO_0000115 "A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:30:46Z"^^xsd:dateTime ; - rdfs:label "has regulatory component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002014 -obo:RO_0002014 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002013 , - obo:RO_0002335 ; - obo:IAO_0000115 "A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:31:01Z"^^xsd:dateTime ; - rdfs:comment "By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'." ; - rdfs:label "has negative regulatory component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002015 -obo:RO_0002015 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002013 , - obo:RO_0002336 ; - obo:IAO_0000115 "A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:31:17Z"^^xsd:dateTime ; - rdfs:comment "By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'." ; - rdfs:label "has positive regulatory component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002017 -obo:RO_0002017 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002018 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:44:33Z"^^xsd:dateTime ; - rdfs:comment "A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B." ; - rdfs:label "has component activity" . - - -### http://purl.obolibrary.org/obo/RO_0002018 -obo:RO_0002018 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002180 ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000115 "w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-05-24T09:49:21Z"^^xsd:dateTime ; - rdfs:label "has component process" . - - -### http://purl.obolibrary.org/obo/RO_0002022 -obo:RO_0002022 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002334 ; - owl:inverseOf obo:RO_0002578 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-17T13:52:24Z"^^xsd:dateTime ; - rdfs:comment "Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2." ; - rdfs:label "directly regulated by" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002022 ; - owl:annotatedProperty rdfs:comment ; - owl:annotatedTarget "Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002023 -obo:RO_0002023 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002022 ; - owl:inverseOf obo:RO_0002630 ; - obo:IAO_0000115 "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-17T13:52:38Z"^^xsd:dateTime ; - rdfs:label "directly negatively regulated by" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002023 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002024 -obo:RO_0002024 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002022 ; - owl:inverseOf obo:RO_0002629 ; - obo:IAO_0000115 "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-17T13:52:47Z"^^xsd:dateTime ; - rdfs:label "directly positively regulated by" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002024 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002025 -obo:RO_0002025 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002017 ; - rdf:type owl:FunctionalProperty ; - obo:IAO_0000115 "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2017-09-22T14:14:36Z"^^xsd:dateTime ; - rdfs:comment "This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations." ; - rdfs:label "has effector activity" . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002025 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity." ; - oboInOwl:hasDbXref - ] . - - -### http://purl.obolibrary.org/obo/RO_0002086 -obo:RO_0002086 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002222 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000117 "David Osumi-Sutherland" ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:comment "X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)"@en ; - rdfs:label "ends after"@en . - - -### http://purl.obolibrary.org/obo/RO_0002087 -obo:RO_0002087 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000062 ; - owl:inverseOf obo:RO_0002090 ; - obo:IAO_0000117 "David Osumi-Sutherland" ; - obo:IAO_0000118 "starts_at_end_of" ; - rdfs:comment "X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)"@en ; - rdfs:label "immediately preceded by"@en . - - -### http://purl.obolibrary.org/obo/RO_0002090 -obo:RO_0002090 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000063 ; - obo:IAO_0000117 , - "David Osumi-Sutherland" ; - obo:IAO_0000118 "ends_at_start_of" , - "meets" ; - obo:RO_0002575 obo:BFO_0000063 ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:comment "X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)"@en ; - rdfs:label "immediately precedes"@en . + oboInOwl:hasDbXref "RO:0000087" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "has_role" ; + oboInOwl:is_cyclic "false"^^xsd:boolean ; + oboInOwl:is_transitive "false"^^xsd:boolean ; + oboInOwl:shorthand "has_role" ; + rdfs:label "has role" , + "has role"@en . ### http://purl.obolibrary.org/obo/RO_0002131 @@ -1393,7 +1460,7 @@ obo:RO_0002131 rdf:type owl:ObjectProperty ; owl:propertyChainAxiom ( obo:BFO_0000050 obo:BFO_0000050 ) , - _:genid16 , + _:genid9 , ( obo:BFO_0000051 obo:RO_0002131 ) , @@ -1409,226 +1476,23 @@ obo:RO_0002131 rdf:type owl:ObjectProperty ; subsets:ro-eco ; rdfs:label "overlaps"@en . -_:genid16 rdf:type rdf:List ; - rdf:first obo:BFO_0000051 ; - rdf:rest ( obo:BFO_0000050 - ) . +_:genid9 rdf:type rdf:List ; + rdf:first obo:BFO_0000051 ; + rdf:rest ( obo:BFO_0000050 + ) . [ rdf:type owl:Axiom ; owl:annotatedSource obo:RO_0002131 ; owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid16 ; - obo:RO_0002582 "true"^^xsd:boolean - ] . - - -### http://purl.obolibrary.org/obo/RO_0002180 -obo:RO_0002180 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000051 ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type." ; - obo:IAO_0000116 "The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity." ; - obo:IAO_0000232 "For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit."@en ; - obo:RO_0001900 obo:RO_0001901 ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "has component"@en ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0002211 -obo:RO_0002211 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 ; - owl:inverseOf obo:RO_0002334 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:BFO_0000015 ; - owl:propertyChainAxiom ( obo:RO_0002211 - obo:RO_0002025 - ) , - ( obo:RO_0002578 - obo:RO_0002578 - ) ; - obo:IAO_0000115 "p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q." ; - obo:IAO_0000117 , - , - ; - obo:IAO_0000119 , - "GO" ; - obo:IAO_0000232 "Regulation precludes parthood; the regulatory process may not be within the regulated process." ; - obo:IAO_0000589 "regulates (processual)" ; - obo:IAO_0000600 "false"^^xsd:boolean ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0002212 -obo:RO_0002212 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0002305 ; - owl:inverseOf obo:RO_0002335 ; - obo:IAO_0000115 "p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "negatively regulates (process to process)" ; - obo:RO_0004050 obo:RO_0002211 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "negatively regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0002213 -obo:RO_0002213 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0002304 ; - owl:inverseOf obo:RO_0002336 ; - rdf:type owl:TransitiveProperty ; - owl:propertyChainAxiom ( obo:RO_0002212 - obo:RO_0002212 - ) ; - obo:IAO_0000115 "p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "positively regulates (process to process)" ; - obo:RO_0004049 obo:RO_0002211 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "positively regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0002215 -obo:RO_0002215 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002216 ; - rdfs:domain obo:BFO_0000004 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000112 "mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)" , - "osteoclast SubClassOf 'capable of' some 'bone resorption'" ; - obo:IAO_0000115 "A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. " ; - obo:IAO_0000117 ; - obo:IAO_0000118 "has function realized in" ; - obo:IAO_0000119 , - ; - obo:IAO_0000232 "For compatibility with BFO, this relation has a shortcut definition in which the expression \"capable of some P\" expands to \"bearer_of (some realized_by only P)\"." ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "capable of"@en . - - -### http://purl.obolibrary.org/obo/RO_0002216 -obo:RO_0002216 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 , - obo:RO_0002500 ; - owl:propertyChainAxiom _:genid29 ; - obo:IAO_0000115 "c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "has function in" ; - rdfs:label "capable of part of"@en ; - rdfs:seeAlso . - -_:genid29 rdf:type rdf:List ; - rdf:first obo:RO_0002215 ; - rdf:rest ( obo:BFO_0000050 - ) . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002216 ; - owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid29 ; + owl:annotatedTarget _:genid9 ; obo:RO_0002582 "true"^^xsd:boolean ] . -### http://purl.obolibrary.org/obo/RO_0002222 -obo:RO_0002222 rdf:type owl:ObjectProperty ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000232 "Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends." ; - dcterms:source "https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1"^^xsd:anyURI ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:comment "A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations." ; - rdfs:label "temporally related to"@en . - - -### http://purl.obolibrary.org/obo/RO_0002233 -obo:RO_0002233 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000057 ; - owl:inverseOf obo:RO_0002352 ; - rdfs:domain obo:BFO_0000015 ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "consumes" ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam , - subsets:ro-eco ; - rdfs:label "has input"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Has_input"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002263 -obo:RO_0002263 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002411 - ) ; - obo:IAO_0000112 "A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision." ; - obo:IAO_0000115 "c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes." ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of" ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0002264 -obo:RO_0002264 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002500 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002418 - ) ; - obo:IAO_0000112 "A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway." ; - obo:IAO_0000115 "c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process." ; - oboInOwl:hasRelatedSynonym "affects" ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of or within" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002304 -obo:RO_0002304 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 , - obo:RO_0004047 ; - obo:IAO_0000115 "p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q." ; - obo:RO_0004049 obo:RO_0002411 ; - dcterms:creator ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_gocam ; - rdfs:comment "holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y" ; - rdfs:label "causally upstream of, positive effect" ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0002305 -obo:RO_0002305 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 , - obo:RO_0004046 ; - obo:IAO_0000115 "p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q." ; - obo:RO_0004050 obo:RO_0002411 ; - dcterms:creator ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_gocam ; - rdfs:label "causally upstream of, negative effect" ; - rdfs:seeAlso . - - ### http://purl.obolibrary.org/obo/RO_0002314 obo:RO_0002314 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002502 ; - owl:propertyChainAxiom _:genid36 , + owl:propertyChainAxiom _:genid16 , ( obo:RO_0002314 obo:BFO_0000050 ) ; @@ -1641,7 +1505,7 @@ obo:RO_0002314 rdf:type owl:ObjectProperty ; rdfs:label "characteristic of part of"@en ; rdfs:seeAlso . -_:genid36 rdf:type rdf:List ; +_:genid16 rdf:type rdf:List ; rdf:first obo:RO_0000052 ; rdf:rest ( obo:BFO_0000050 ) . @@ -1649,7 +1513,7 @@ _:genid36 rdf:type rdf:List ; [ rdf:type owl:Axiom ; owl:annotatedSource obo:RO_0002314 ; owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid36 ; + owl:annotatedTarget _:genid16 ; obo:RO_0002582 "true"^^xsd:boolean ] . @@ -1663,6638 +1527,27570 @@ obo:RO_0002323 rdf:type owl:ObjectProperty ; rdfs:label "mereotopologically related to"@en . -### http://purl.obolibrary.org/obo/RO_0002327 -obo:RO_0002327 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002215 ; - owl:inverseOf obo:RO_0002333 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:BFO_0000051 - ) , - ( obo:RO_0002327 - obo:RO_0002017 - ) ; - obo:IAO_0000112 "a particular instances of akt-2 enables some instance of protein kinase activity" ; - obo:IAO_0000115 "c enables p iff c is capable of p and c acts to execute p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "catalyzes" , - "executes" , - "has" , - "is catalyzing" , - "is executing" ; - obo:IAO_0000232 "This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized." ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "enables"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Enables"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002328 -obo:RO_0002328 rdf:type owl:ObjectProperty ; - obo:IAO_0000115 "A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities." ; - obo:IAO_0000117 ; - obo:IAO_0000232 "This is a grouping relation that collects relations used for the purpose of connecting structure and function" ; - rdfs:label "functionally related to"@en . +### http://purl.obolibrary.org/obo/RO_0002350 +obo:RO_0002350 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:BFO_0000050 ; + owl:inverseOf obo:RO_0002351 ; + obo:IAO_0000112 "An organism that is a member of a population of organisms" ; + obo:IAO_0000115 "is member of is a mereological relation between a item and a collection." ; + obo:IAO_0000118 "is member of" , + "member part of" ; + obo:IAO_0000119 "SIO" ; + obo:RO_0001900 obo:RO_0001901 ; + rdfs:label "member of"@en . -### http://purl.obolibrary.org/obo/RO_0002329 -obo:RO_0002329 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 ; - owl:propertyChainAxiom _:genid45 ; - obo:IAO_0000115 "this relation holds between c and p when c is part of some c', and c' is capable of p." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "false"^^xsd:boolean ; - rdfs:label "part of structure that is capable of"@en . +### http://purl.obolibrary.org/obo/RO_0002351 +obo:RO_0002351 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:BFO_0000051 ; + obo:IAO_0000115 "has member is a mereological relation between a collection and an item." ; + obo:IAO_0000119 "SIO" ; + obo:RO_0001900 obo:RO_0001901 ; + rdfs:label "has member"@en . -_:genid45 rdf:type rdf:List ; - rdf:first obo:BFO_0000050 ; - rdf:rest ( obo:RO_0002215 - ) . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002329 ; - owl:annotatedProperty owl:propertyChainAxiom ; - owl:annotatedTarget _:genid45 ; - obo:RO_0002581 "true"^^xsd:boolean - ] . +### http://purl.obolibrary.org/obo/RO_0002502 +obo:RO_0002502 rdf:type owl:ObjectProperty ; + obo:IAO_0000117 ; + rdfs:label "depends on" ; + rdfs:seeAlso obo:BFO_0000169 . -### http://purl.obolibrary.org/obo/RO_0002331 -obo:RO_0002331 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000056 , - obo:RO_0002431 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:BFO_0000050 - ) , - ( obo:RO_0002331 - obo:BFO_0000050 +### http://purl.obolibrary.org/obo/RO_0010001 +obo:RO_0010001 rdf:type owl:ObjectProperty ; + owl:inverseOf obo:RO_0010002 ; + rdfs:domain obo:BFO_0000031 ; + rdfs:range obo:BFO_0000004 ; + owl:propertyChainAxiom ( obo:RO_0000052 + obo:RO_0000058 ) ; - obo:IAO_0000115 "c involved_in p if and only if c enables some process p', and p' is part of p" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "actively involved in" , - "enables part of" ; - rdfs:label "involved in"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Involved_in"^^xsd:anyURI . + obo:IAO_0000112 "Genetic information generically depend on molecules of DNA." , + "The novel *War and Peace* generically depends on this copy of the novel." , + "The pattern shared by chess boards generically depends on any chess board." , + "The score of a symphony g-depends on a copy of the score." , + "This pdf file generically depends on this server." ; + obo:IAO_0000115 "A generically dependent continuant *b* generically depends on an independent continuant *c* at time *t* means: there inheres in *c* a specifically deendent continuant which concretizes *b* at *t*." ; + obo:IAO_0000119 "[072-ISO]" ; + oboInOwl:hasExactSynonym "g-depends on" ; + rdfs:label "generically depends on" . + + +### http://purl.obolibrary.org/obo/RO_0010002 +obo:RO_0010002 rdf:type owl:ObjectProperty ; + rdfs:domain obo:BFO_0000004 ; + rdfs:range obo:BFO_0000031 ; + owl:propertyChainAxiom ( obo:RO_0000059 + obo:RO_0000053 + ) ; + obo:IAO_0000112 "Molecules of DNA are carriers of genetic information." , + "This copy of *War and Peace* is carrier of the novel written by Tolstoy." , + "This hard drive is carrier of these data items." ; + obo:IAO_0000115 "*b* is carrier of *c* at time *t* if and only if *c* *g-depends on* *b* at *t*" ; + obo:IAO_0000119 "[072-ISO]" ; + rdfs:label "is carrier of"@en . -### http://purl.obolibrary.org/obo/RO_0002333 -obo:RO_0002333 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000057 , - obo:RO_0002328 ; - obo:IAO_0000115 "inverse of enables" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:valid_for_gocam ; - rdfs:label "enabled by"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Enabled_by"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002334 -obo:RO_0002334 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002427 ; - rdf:type owl:TransitiveProperty ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000115 "inverse of regulates" ; - obo:IAO_0000117 ; - obo:IAO_0000589 "regulated by (processual)" ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "regulated by"@en . +################################################################# +# Classes +################################################################# +### http://nmrML.org/nmrCV#NMR:0002001 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:CHEBI_23367 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A molecular entity that has a characterized compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-21T15:06:17Z"^^xsd:dateTime ; + rdfs:label "characterized compound"@en . + + +### http://nmrML.org/nmrCV#NMR:0002002 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_51086 ; + obo:IAO_0000115 "A role which inheres in a molecular entity being characterized in an NMR sample using data acquired from an NMR analysis." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-21T15:10:29Z"^^xsd:dateTime ; + rdfs:label "NMR characterized compound role"@en . + + +### http://nmrML.org/nmrCV#NMR:0002003 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A calibration compound that has a chemical shift calibration compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T14:49:21Z"^^xsd:dateTime ; + rdfs:label "chemical shift calibration compound"@en . + + +### http://nmrML.org/nmrCV#NMR:0002005 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_51086 ; + obo:IAO_0000115 "A role which inheres in a molecular entity that produces one or more peaks used to calibrate the NMR spectrometer and/or the spectrum." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:10:11Z"^^xsd:dateTime ; + rdfs:label "NMR calibration compound role"@en . -### http://purl.obolibrary.org/obo/RO_0002335 -obo:RO_0002335 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002334 ; - obo:IAO_0000115 "inverse of negatively regulates" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "negatively regulated by"@en . - +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget obo:CHEBI_51086 ; + rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds."@en ; + rdfs:isDefinedBy + ] . -### http://purl.obolibrary.org/obo/RO_0002336 -obo:RO_0002336 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002334 ; - obo:IAO_0000115 "inverse of positively regulates" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "positively regulated by"@en . +### http://nmrML.org/nmrCV#NMR:0002006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A role which inheres in a calibration compound that produces one or more peaks used for chemical shift calibration." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:12:21Z"^^xsd:dateTime ; + rdfs:label "NMR chemical shift calibration compound role"@en . -### http://purl.obolibrary.org/obo/RO_0002351 -obo:RO_0002351 rdf:type owl:ObjectProperty . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds." ; + rdfs:isDefinedBy + ] . -### http://purl.obolibrary.org/obo/RO_0002352 -obo:RO_0002352 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0000056 , - obo:RO_0002328 ; - obo:IAO_0000115 "inverse of has input" ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:RO_0002259 , - subsets:ro-eco ; - rdfs:label "input of"@en . +### http://nmrML.org/nmrCV#NMR:0002007 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A role which inheres in a calibration compound of a known concentration that produces one or more peaks used to calibrate a spectrum for quantification." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:15:36Z"^^xsd:dateTime ; + rdfs:label "NMR concentration calibration compound role"@en . -### http://purl.obolibrary.org/obo/RO_0002404 -obo:RO_0002404 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000062 , - obo:RO_0002427 ; - owl:inverseOf obo:RO_0002411 ; - obo:IAO_0000114 obo:IAO_0000428 ; - obo:IAO_0000115 "inverse of upstream of" ; - obo:IAO_0000117 ; - rdfs:label "causally downstream of"@en . +### http://nmrML.org/nmrCV#NMR:0002008 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 3H spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted." ; + rdfs:label "3H spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 3H spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002405 -obo:RO_0002405 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002087 , - obo:RO_0002404 ; - owl:inverseOf obo:RO_0002412 ; - obo:IAO_0000114 obo:IAO_0000428 ; - obo:IAO_0000117 ; - rdfs:label "immediately causally downstream of"@en . +### http://nmrML.org/nmrCV#NMR:0002082 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 3He spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T18:14:29Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3He spectra. The children of this class were manually asserted." ; + rdfs:label "3He spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002407 -obo:RO_0002407 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002213 , - obo:RO_0012012 ; - rdf:type owl:TransitiveProperty ; - owl:propertyChainAxiom ( obo:RO_0002407 - obo:RO_0002629 - ) , - ( obo:RO_0002409 - obo:RO_0002409 - ) , - ( obo:RO_0002629 - obo:RO_0002407 - ) , - ( obo:RO_0002629 - obo:RO_0002629 - ) ; - obo:IAO_0000115 "p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "indirectly activates" ; - obo:RO_0002579 obo:RO_0002213 ; - rdfs:label "indirectly positively regulates"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Indirectly_positively_regulates"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002409 -obo:RO_0002409 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002212 , - obo:RO_0012012 ; - rdf:type owl:TransitiveProperty ; - owl:propertyChainAxiom ( obo:RO_0002409 - obo:RO_0002630 - ) , - ( obo:RO_0002630 - obo:RO_0002409 - ) , - ( obo:RO_0002630 - obo:RO_0002630 - ) ; - obo:IAO_0000115 "p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "indirectly inhibits" ; - obo:RO_0002579 obo:RO_0002212 ; - rdfs:label "indirectly negatively regulates"@en ; - rdfs:seeAlso "https://wiki.geneontology.org/Indirectly_negatively_regulates"^^xsd:anyURI . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 3He spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002410 -obo:RO_0002410 rdf:type owl:ObjectProperty ; - obo:IAO_0000115 "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause." ; - obo:IAO_0000116 """This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. +### http://nmrML.org/nmrCV#NMR:0002083 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 19F spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 19F spectra. The children of this class were manually asserted." ; + rdfs:label "19F spectrum chemical shift reference compound"@en . -To define causal relations in an activity-flow type network, we make use of 3 primitives: +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 19F spectra according to IUPAC recommendations." ; + dcterms:source ; + rdfs:comment + ] . - * Temporal: how do the intervals of the two occurrents relate? - * Is the causal relation regulatory? - * Is the influence positive or negative? -The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. +### http://nmrML.org/nmrCV#NMR:0002084 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 29Si spectra. The children of this class were manually asserted." ; + rdfs:label "29Si spectrum chemical shift reference compound"@en . -For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 29Si spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. -Each of these 3 primitives can be composed to yield a cross-product of different relation types.""" ; - obo:IAO_0000117 ; - obo:IAO_0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - rdfs:label "causally related to"@en . +### http://nmrML.org/nmrCV#NMR:0002085 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 57Fe spectra. The children of this class were manually asserted." ; + rdfs:label "57Fe spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:RO_0002410 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause." ; - oboInOwl:hasDbXref "https://en.wikipedia.org/wiki/Causality" + owl:annotatedTarget "A chemical shift reference compound used for 57Fe spectra according to IUPAC recommendations." ; + dcterms:source , + ] . -### http://purl.obolibrary.org/obo/RO_0002411 -obo:RO_0002411 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:BFO_0000063 , - obo:RO_0002418 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000115 "p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q." ; - obo:IAO_0000117 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_gocam ; - rdfs:label "causally upstream of"@en . - +### http://nmrML.org/nmrCV#NMR:0002086 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 77Se spectra. The children of this class were manually asserted." ; + rdfs:label "77Se spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002412 -obo:RO_0002412 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002090 , - obo:RO_0002411 ; - obo:IAO_0000115 "p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q." ; - obo:IAO_0000117 ; - obo:RO_0002575 obo:RO_0002411 ; - rdfs:label "immediately causally upstream of"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 77Se spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002418 -obo:RO_0002418 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002501 ; - owl:inverseOf obo:RO_0002427 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000115 "p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q." ; - obo:IAO_0000116 "We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "influences (processual)" ; - oboInOwl:hasRelatedSynonym "affects" ; - rdfs:label "causally upstream of or within" . +### http://nmrML.org/nmrCV#NMR:0002087 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 89Y spectra. The children of this class were manually asserted." ; + rdfs:label "89Y spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 89Y spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002427 -obo:RO_0002427 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002501 ; - rdf:type owl:TransitiveProperty ; - obo:IAO_0000115 "inverse of causally upstream of or within" ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - oboInOwl:inSubset obo:RO_0002259 ; - rdfs:label "causally downstream of or within" . +### http://nmrML.org/nmrCV#NMR:0002088 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 103Rh spectra. The children of this class were manually asserted." ; + rdfs:label "103Rh spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002428 -obo:RO_0002428 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002263 , - obo:RO_0002431 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002211 - ) , - ( obo:RO_0002331 - obo:RO_0002211 - ) ; - obo:IAO_0000115 "c involved in regulation of p if c is involved in some p' and p' regulates some p" ; - obo:IAO_0000117 ; - rdfs:label "involved in regulation of" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 103Rh spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002429 -obo:RO_0002429 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002428 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002213 - ) , - ( obo:RO_0002331 - obo:RO_0002213 - ) ; - obo:IAO_0000115 "c involved in regulation of p if c is involved in some p' and p' positively regulates some p" ; - obo:IAO_0000117 ; - obo:RO_0004049 obo:RO_0002428 ; - rdfs:label "involved in positive regulation of" . +### http://nmrML.org/nmrCV#NMR:0002089 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 107Ag spectra. The children of this class were manually asserted." ; + rdfs:label "107Ag spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 107Ag spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002430 -obo:RO_0002430 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002428 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002212 - ) , - ( obo:RO_0002331 - obo:RO_0002212 - ) ; - obo:IAO_0000115 "c involved in regulation of p if c is involved in some p' and p' negatively regulates some p" ; - obo:IAO_0000117 ; - obo:RO_0004050 obo:RO_0002428 ; - rdfs:label "involved in negative regulation of" . +### http://nmrML.org/nmrCV#NMR:0002090 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 109Ag spectra. The children of this class were manually asserted." ; + rdfs:label "109Ag spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002431 -obo:RO_0002431 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 , - obo:RO_0002328 , - obo:RO_0002500 ; - obo:IAO_0000115 "c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p" ; - obo:IAO_0000116 "OWL does not allow defining object properties via a Union" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "involved in or reguates" ; - rdfs:label "involved in or involved in regulation of" . - - -### http://purl.obolibrary.org/obo/RO_0002434 -obo:RO_0002434 rdf:type owl:ObjectProperty , - owl:SymmetricProperty ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - obo:IAO_0000115 "A relationship that holds between two entities in which the processes executed by the two entities are causally connected." ; - obo:IAO_0000116 "This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact." , - "Considering relabeling as 'pairwise interacts with'"^^xsd:anyURI ; - obo:IAO_0000117 ; - obo:IAO_0000232 "Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules." ; - oboInOwl:hasExactSynonym "in pairwise interaction with" ; - oboInOwl:inSubset subsets:ro-eco ; - rdfs:label "interacts with" ; - rdfs:seeAlso "http://purl.obolibrary.org/obo/ro/docs/interaction-relations/"^^xsd:anyURI ; - skos:closeMatch "http://purl.obolibrary.org/obo/MI_0914"^^xsd:anyURI . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 109Ag spectra according to IUPAC recommendations." ; + dce:source ; + dcterms:source + ] . -### http://purl.obolibrary.org/obo/RO_0002436 -obo:RO_0002436 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002434 ; - rdf:type owl:SymmetricProperty ; - obo:IAO_0000115 "An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other." ; - obo:IAO_0000117 ; - obo:IAO_0000118 "binds" , - "molecularly binds with" ; - rdfs:label "molecularly interacts with" ; - rdfs:seeAlso obo:ECO_0000353 ; - skos:closeMatch "http://purl.obolibrary.org/obo/MI_0915"^^xsd:anyURI . +### http://nmrML.org/nmrCV#NMR:0002091 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 111Cd spectra. The children of this class were manually asserted." ; + rdfs:label "111Cd spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 111Cd spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002447 -obo:RO_0002447 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002436 ; - obo:IAO_0000116 "Axiomatization to GO to be added later" ; - obo:IAO_0000117 ; - obo:IAO_0000118 "An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y." ; - rdfs:label "phosphorylates" . - - -### http://purl.obolibrary.org/obo/RO_0002448 -obo:RO_0002448 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002436 , - obo:RO_0011002 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002211 - obo:RO_0002333 - ) ; - obo:IAO_0000115 """The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. - -A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B.""" ; - obo:IAO_0000117 , - ; - oboInOwl:hasExactSynonym "molecularly controls" ; - rdfs:label "directly regulates activity of" . - - -### http://purl.obolibrary.org/obo/RO_0002449 -obo:RO_0002449 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002448 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002630 - obo:RO_0002333 - ) ; - obo:IAO_0000115 """The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B.""" ; - obo:IAO_0000117 , - ; - obo:IAO_0000118 "directly inhibits" ; - oboInOwl:hasExactSynonym "molecularly decreases activity of" ; - rdfs:label "directly negatively regulates activity of" . - - -### http://purl.obolibrary.org/obo/RO_0002450 -obo:RO_0002450 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002448 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002629 - obo:RO_0002333 - ) ; - obo:IAO_0000115 """The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. -For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B.""" ; - obo:IAO_0000117 , - ; - obo:IAO_0000118 "directly activates" ; - oboInOwl:hasExactSynonym "molecularly increases activity of" ; - rdfs:label "directly positively regulates activity of" . +### http://nmrML.org/nmrCV#NMR:0002092 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113Cd spectra. The children of this class were manually asserted." ; + rdfs:label "113Cd spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002464 -obo:RO_0002464 rdf:type owl:ObjectProperty ; - obo:IAO_0000117 ; - obo:IAO_0000232 "This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning." ; - rdfs:label "helper property (not for use in curation)" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 113Cd spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002481 -obo:RO_0002481 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002564 ; - obo:IAO_0000117 ; - rdfs:label "is kinase activity" . +### http://nmrML.org/nmrCV#NMR:0002093 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115Sn spectra. The children of this class were manually asserted." ; + rdfs:label "115Sn spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 115Sn spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002500 -obo:RO_0002500 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002595 ; - owl:inverseOf obo:RO_0002608 ; - obo:IAO_0000115 "A relationship between a material entity and a process where the material entity has some causal role that influences the process" ; - obo:IAO_0000119 ; - rdfs:label "causal agent in process" . +### http://nmrML.org/nmrCV#NMR:0002094 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 117Sn spectra. The children of this class were manually asserted." ; + rdfs:label "117Sn spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002501 -obo:RO_0002501 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000003 ; - rdfs:range obo:BFO_0000003 ; - obo:IAO_0000115 "p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - rdfs:label "causal relation between processes" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 117Sn spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002502 -obo:RO_0002502 rdf:type owl:ObjectProperty ; - obo:IAO_0000117 ; - rdfs:label "depends on" ; - rdfs:seeAlso obo:BFO_0000169 . +### http://nmrML.org/nmrCV#NMR:0002095 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 119Sn spectra. The children of this class were manually asserted." ; + rdfs:label "119Sn spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 119Sn spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002506 -obo:RO_0002506 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000002 ; - rdfs:range obo:BFO_0000002 ; - obo:IAO_0000116 "The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch" ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000232 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - rdfs:label "causal relation between entities" . +### http://nmrML.org/nmrCV#NMR:0002096 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Te spectra. The children of this class were manually asserted." ; + rdfs:label "123Te spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002559 -obo:RO_0002559 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002506 ; - owl:inverseOf obo:RO_0002566 ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "causally influenced by (entity-centric)" ; - rdfs:label "causally influenced by" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 123Te spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002563 -obo:RO_0002563 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002464 ; - obo:IAO_0000117 ; - rdfs:label "interaction relation helper property" ; - rdfs:seeAlso , - "http://purl.obolibrary.org/obo/ro/docs/interaction-relations/"^^xsd:anyURI . +### http://nmrML.org/nmrCV#NMR:0002097 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 125Te spectra. The children of this class were manually asserted." ; + rdfs:label "125Te spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 125Te spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002564 -obo:RO_0002564 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002563 ; - obo:IAO_0000117 ; - rdfs:label "molecular interaction relation helper property" . +### http://nmrML.org/nmrCV#NMR:0002098 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 129Xe spectra. The children of this class were manually asserted." ; + rdfs:label "129Xe spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002566 -obo:RO_0002566 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002506 ; - rdfs:domain obo:BFO_0000002 ; - rdfs:range obo:BFO_0000002 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002411 - obo:RO_0002233 - ) , - ( obo:RO_0002327 - obo:RO_0002411 - obo:RO_0002333 - ) ; - obo:IAO_0000115 "The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size)." ; - obo:IAO_0000117 , - ; - obo:IAO_0000119 ; - obo:IAO_0000589 "causally influences (entity-centric)" ; - rdfs:label "causally influences" . - - -### http://purl.obolibrary.org/obo/RO_0002578 -obo:RO_0002578 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0002412 ; - obo:IAO_0000115 "p directly regulates q iff p is immediately causally upstream of q and p regulates q." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - obo:IAO_0000589 "directly regulates (processual)" ; - obo:RO_0002575 obo:RO_0002211 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "directly regulates" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 129Xe spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002584 -obo:RO_0002584 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 , - obo:RO_0002595 ; - owl:propertyChainAxiom ( obo:BFO_0000051 - obo:RO_0002215 - ) ; - obo:IAO_0000112 "gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'" ; - obo:IAO_0000115 "s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p" ; - obo:IAO_0000117 ; - rdfs:label "has part structure that is capable of" . +### http://nmrML.org/nmrCV#NMR:0002099 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 183W spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 183W spectra. The children of this class were manually asserted." ; + rdfs:label "183W spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 183W spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002595 -obo:RO_0002595 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000015 ; - obo:IAO_0000115 "A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity." ; - obo:IAO_0000116 "Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect." ; - obo:IAO_0000117 ; - obo:IAO_0000119 ; - rdfs:label "causal relation between material entity and a process" . +### http://nmrML.org/nmrCV#NMR:0002100 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Os spectra. The children of this class were manually asserted." ; + rdfs:label "187Os spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0002596 -obo:RO_0002596 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002500 ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002211 - ) ; - obo:IAO_0000112 "pyrethroid -> growth" ; - obo:IAO_0000115 "Holds between c and p if and only if c is capable of some activity a, and a regulates p." ; - obo:IAO_0000119 ; - rdfs:label "capable of regulating" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 187Os spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002597 -obo:RO_0002597 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002596 ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002212 - ) ; - obo:IAO_0000115 "Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p." ; - obo:IAO_0000119 ; - rdfs:label "capable of negatively regulating" . +### http://nmrML.org/nmrCV#NMR:0002101 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 195Pt spectra. The children of this class were manually asserted." ; + rdfs:label "195Pt spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 195Pt spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0002598 -obo:RO_0002598 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002596 ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002213 - ) ; - obo:IAO_0000112 "renin -> arteriolar smooth muscle contraction" ; - obo:IAO_0000115 "Holds between c and p if and only if c is capable of some activity a, and a positively regulates p." ; - obo:IAO_0000119 ; - rdfs:label "capable of positively regulating" . - - -### http://purl.obolibrary.org/obo/RO_0002608 -obo:RO_0002608 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - obo:IAO_0000115 "Inverse of 'causal agent in process'" ; - obo:IAO_0000119 ; - rdfs:label "process has causal agent" . - - -### http://purl.obolibrary.org/obo/RO_0002629 -obo:RO_0002629 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002213 , - obo:RO_0002578 ; - obo:IAO_0000115 "p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q." ; - obo:IAO_0000119 ; - obo:IAO_0000589 "directly positively regulates (process to process)" ; - obo:RO_0004049 obo:RO_0002578 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "directly positively regulates" ; - rdfs:seeAlso "https://wiki.geneontology.org/Directly_positively_regulates"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0002630 -obo:RO_0002630 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002212 , - obo:RO_0002578 ; - obo:IAO_0000115 "p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q." ; - obo:IAO_0000119 ; - obo:IAO_0000589 "directly negatively regulates (process to process)" ; - obo:RO_0004050 obo:RO_0002578 ; - oboInOwl:inSubset obo:valid_for_go_annotation_extension , - obo:valid_for_go_ontology , - obo:valid_for_gocam ; - rdfs:label "directly negatively regulates" ; - rdfs:seeAlso "https://wiki.geneontology.org/Directly_negatively_regulates"^^xsd:anyURI . +### http://nmrML.org/nmrCV#NMR:0002102 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 199Hg spectra. The children of this class were manually asserted." ; + rdfs:label "199Hg spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0004031 -obo:RO_0004031 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002328 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:BFO_0000051 - ) ; - obo:IAO_0000115 "Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-25T23:20:13Z"^^xsd:dateTime ; - rdfs:label "enables subfunction" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 199Hg spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0004032 -obo:RO_0004032 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0004047 - ) ; - obo:RO_0004049 obo:RO_0002264 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:49:30Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of or within, positive effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004033 -obo:RO_0004033 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002264 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0004046 - ) ; - obo:RO_0004050 obo:RO_0002264 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:49:51Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of or within, negative effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004034 -obo:RO_0004034 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002263 , - obo:RO_0004032 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002304 - ) ; - obo:IAO_0000115 "c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive" ; - obo:RO_0004049 obo:RO_0002263 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:53:14Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of, positive effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_positive_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004035 -obo:RO_0004035 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002263 , - obo:RO_0004033 ; - owl:propertyChainAxiom ( obo:RO_0002327 - obo:RO_0002305 - ) ; - obo:IAO_0000115 "c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative" ; - obo:RO_0004050 obo:RO_0002263 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-01-26T23:53:22Z"^^xsd:dateTime ; - oboInOwl:inSubset obo:valid_for_go_gp2term ; - rdfs:label "acts upstream of, negative effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Acts_upstream_of,_negative_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004046 -obo:RO_0004046 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002418 ; - obo:RO_0004050 obo:RO_0002418 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-03-13T23:55:05Z"^^xsd:dateTime ; - rdfs:label "causally upstream of or within, negative effect" ; - rdfs:seeAlso "https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect"^^xsd:anyURI . - - -### http://purl.obolibrary.org/obo/RO_0004047 -obo:RO_0004047 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002418 ; - obo:RO_0004049 obo:RO_0002418 ; - oboInOwl:created_by ; - oboInOwl:creation_date "2018-03-13T23:55:19Z"^^xsd:dateTime ; - rdfs:label "causally upstream of or within, positive effect" ; - rdfs:seeAlso . - - -### http://purl.obolibrary.org/obo/RO_0011002 -obo:RO_0011002 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002566 ; - rdfs:domain obo:BFO_0000040 ; - rdfs:range obo:BFO_0000040 ; - obo:IAO_0000115 "The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B." ; - obo:IAO_0000117 ; - rdfs:label "regulates activity of" . - - -### http://purl.obolibrary.org/obo/RO_0012011 -obo:RO_0012011 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002411 ; - obo:IAO_0000115 "p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2022-09-26T06:07:17Z"^^xsd:dateTime ; - rdfs:label "indirectly causally upstream of"@en . - - -### http://purl.obolibrary.org/obo/RO_0012012 -obo:RO_0012012 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002211 , - obo:RO_0012011 ; - obo:IAO_0000115 "p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q." ; - oboInOwl:created_by ; - oboInOwl:creation_date "2022-09-26T06:08:01Z"^^xsd:dateTime ; - rdfs:label "indirectly regulates"@en . - - -### http://purl.obolibrary.org/obo/RO_0017001 -obo:RO_0017001 rdf:type owl:ObjectProperty ; - owl:propertyChainAxiom ( obo:RO_0002215 - obo:RO_0002233 - ) ; - obo:IAO_0000112 "A diagnostic testing device utilizes a specimen." ; - obo:IAO_0000115 "X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y." ; - obo:IAO_0000117 , - ; - obo:IAO_0000232 "A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input." , - "See github ticket https://github.com/oborel/obo-relations/issues/497" ; - oboInOwl:creation_date "2021-11-08T12:00:00Z"^^xsd:dateTime ; - oboInOwl:hasBroadSynonym "utilizes" ; - rdfs:label "device utilizes material"@en . - - -### http://purl.obolibrary.org/obo/RO_0019000 -obo:RO_0019000 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0002410 ; - rdfs:domain obo:BFO_0000015 ; - rdfs:range obo:PATO_0000001 ; - owl:propertyChainAxiom ( obo:RO_0002211 - obo:RO_0019000 - ) ; - obo:IAO_0000115 "A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C." ; - dcterms:contributor ; - rdfs:label "regulates characteristic" . +### http://nmrML.org/nmrCV#NMR:0002103 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 203Ti spectra. The children of this class were manually asserted." ; + rdfs:label "203Ti spectrum chemical shift reference compound"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 203Ti spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/RO_0019001 -obo:RO_0019001 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0019000 ; - owl:propertyChainAxiom ( obo:RO_0002213 - obo:RO_0019001 - ) ; - obo:IAO_0000115 "A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C." ; - dcterms:contributor ; - rdfs:label "positively regulates characteristic" . +### http://nmrML.org/nmrCV#NMR:0002104 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 205Ti spectra. The children of this class were manually asserted." ; + rdfs:label "205Ti spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/RO_0019002 -obo:RO_0019002 rdf:type owl:ObjectProperty ; - rdfs:subPropertyOf obo:RO_0019000 ; - owl:propertyChainAxiom ( obo:RO_0002212 - obo:RO_0019001 - ) , - ( obo:RO_0002213 - obo:RO_0019002 - ) ; - obo:IAO_0000115 "A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C." ; - dcterms:contributor ; - rdfs:label "negatively regulates characteristic" . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 205Ti spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -################################################################# -# Classes -################################################################# +### http://nmrML.org/nmrCV#NMR:0002105 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 207Pb spectra. The children of this class were manually asserted." ; + rdfs:label "207Pb spectrum chemical shift reference compound"@en . -### http://purl.obolibrary.org/obo/APOLLO_SV_00000796 -obo:APOLLO_SV_00000796 rdf:type owl:Class . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 207Pb spectra according to IUPAC recommendations." ; + dcterms:source , + + ] . -### http://purl.obolibrary.org/obo/BFO_0000001 -obo:BFO_0000001 rdf:type owl:Class ; - rdfs:subClassOf owl:Thing ; - obo:BFO_0000179 "entity" ; - obo:BFO_0000180 "Entity" ; - obo:IAO_0000112 "Julius Caesar"@en , - "Verdi’s Requiem"@en , - "the Second World War"@en , - "your body mass index"@en ; - obo:IAO_0000116 "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81"@en , - "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; - obo:IAO_0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "entity"@en . +### http://nmrML.org/nmrCV#NMR:0002106 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 59Co spectra. The children of this class were manually asserted." ; + rdfs:label "59Co spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000001 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" ; - rdfs:seeAlso + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 59Co spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002107 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 55Mn spectra. The children of this class were manually asserted." ; + rdfs:label "55Mn spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000001 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 55Mn spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000002 -obo:BFO_0000002 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000001 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000002 - ] ; - owl:disjointWith obo:BFO_0000003 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:someValuesFrom obo:BFO_0000003 - ] ; - obo:BFO_0000179 "continuant" ; - obo:BFO_0000180 "Continuant" ; - obo:IAO_0000115 "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en ; - obo:IAO_0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , - "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; - obo:IAO_0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; - obo:IAO_0000601 "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en , - "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en , - "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; - obo:IAO_0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " , - "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " , - "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " , - "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "continuant"@en . +### http://nmrML.org/nmrCV#NMR:0002108 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 53Cr spectra. The children of this class were manually asserted." ; + rdfs:label "53Cr spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 53Cr spectra according to IUPAC recommendations." ; + dcterms:source ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; - obo:IAO_0010000 - ] . + +### http://nmrML.org/nmrCV#NMR:0002109 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 51V spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 51V spectra. The children of this class were manually asserted." ; + rdfs:label "51V spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 51V spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002110 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 50V spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 50V spectra. The children of this class were manually asserted." ; + rdfs:label "50V spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 50V spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002111 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 49Ti spectra. The children of this class were manually asserted." ; + rdfs:label "49Ti spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 49Ti spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002112 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 47Ti spectra. The children of this class were manually asserted." ; + rdfs:label "47Ti spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 47Ti spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002113 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 45Sc spectra. The children of this class were manually asserted." ; + rdfs:label "45Sc spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 45Sc spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002114 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 43Ca spectra. The children of this class were manually asserted." ; + rdfs:label "43Ca spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 43Ca spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002115 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 41K spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 41K spectra. The children of this class were manually asserted." ; + rdfs:label "41K spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000002 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 41K spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000003 -obo:BFO_0000003 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000001 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000003 - ] ; - owl:disjointWith [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:someValuesFrom obo:BFO_0000002 - ] ; - obo:BFO_0000179 "occurrent" ; - obo:BFO_0000180 "Occurrent" ; - obo:IAO_0000115 "An entity that has temporal parts and that happens, unfolds or develops through time."@en ; - obo:IAO_0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , - "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , - "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , - "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; - obo:IAO_0000600 "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; - obo:IAO_0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en , - "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " , - "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "occurrent"@en . +### http://nmrML.org/nmrCV#NMR:0002116 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 40K spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 40K spectra. The children of this class were manually asserted." ; + rdfs:label "40K spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 40K spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002117 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 39K spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 39K spectra. The children of this class were manually asserted." ; + rdfs:label "39K spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 39K spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002118 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 37Cl spectra. The children of this class were manually asserted." ; + rdfs:label "37Cl spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 37Cl spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002119 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 35Cl spectra. The children of this class were manually asserted." ; + rdfs:label "35Cl spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 35Cl spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002120 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 33S spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 33S spectra. The children of this class were manually asserted." ; + rdfs:label "33S spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 33S spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002121 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 27Al spectra. The children of this class were manually asserted." ; + rdfs:label "27Al spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 27Al spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002122 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 25Mg spectra. The children of this class were manually asserted." ; + rdfs:label "25Mg spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000003 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 25Mg spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000004 -obo:BFO_0000004 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000002 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000004 - ] ; - owl:disjointWith obo:BFO_0000020 , - obo:BFO_0000031 ; - obo:BFO_0000179 "ic" ; - obo:BFO_0000180 "IndependentContinuant" ; - obo:IAO_0000112 "a chair"@en , - "a heart"@en , - "a leg"@en , - "a molecule"@en , - "a spatial region"@en , - "an atom"@en , - "an orchestra."@en , - "an organism"@en , - "the bottom right portion of a human torso"@en , - "the interior of your mouth"@en ; - obo:IAO_0000115 "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; - obo:IAO_0000601 "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en , - "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; - obo:IAO_0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , - "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , - "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; - rdfs:comment "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything."@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "independent continuant"@en . +### http://nmrML.org/nmrCV#NMR:0002123 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 23Na spectra. The children of this class were manually asserted." ; + rdfs:label "23Na spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 23Na spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002124 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 21Ne spectra. The children of this class were manually asserted." ; + rdfs:label "21Ne spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 21Ne spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002125 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 17O spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 17O spectra. The children of this class were manually asserted." ; + rdfs:label "17O spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 17O spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002126 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 14N spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 14N spectra. The children of this class were manually asserted." ; + rdfs:label "14N spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 14N spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002127 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 11B spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 11B spectra. The children of this class were manually asserted." ; + rdfs:label "11B spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 11B spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002128 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 10B spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 10B spectra. The children of this class were manually asserted." ; + rdfs:label "10B spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000004 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 10B spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000006 -obo:BFO_0000006 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000141 ; - owl:disjointWith obo:BFO_0000029 , - obo:BFO_0000140 ; - obo:BFO_0000179 "s-region" ; - obo:BFO_0000180 "SpatialRegion" ; - obo:IAO_0000116 "BFO 2 Reference: Spatial regions do not participate in processes."@en , - "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; - obo:IAO_0000600 "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; - obo:IAO_0000601 "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; - obo:IAO_0000602 "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " , - "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "spatial region"@en . +### http://nmrML.org/nmrCV#NMR:0002130 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 3H spectra. The children of this class were manually asserted." ; + rdfs:label "9Be spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 9Be spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002131 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-26T16:16:31Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 7Li spectra. The children of this class were manually asserted." ; + rdfs:label "7Li spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 7Li spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002132 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 6Li spectra. The children of this class were manually asserted." ; + rdfs:label "6Li spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 6Li spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002133 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 61Ni spectra. The children of this class were manually asserted." ; + rdfs:label "61Ni spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 61Ni spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002134 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 63Cu spectra. The children of this class were manually asserted." ; + rdfs:label "63Cu spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000006 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 63Cu spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000008 -obo:BFO_0000008 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - owl:disjointWith obo:BFO_0000011 , - obo:BFO_0000015 , - obo:BFO_0000035 ; - obo:BFO_0000179 "t-region" ; - obo:BFO_0000180 "TemporalRegion" ; - obo:IAO_0000116 "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; - obo:IAO_0000600 "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; - obo:IAO_0000601 "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en , - "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; - obo:IAO_0000602 "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " , - "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " , - "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "temporal region"@en . +### http://nmrML.org/nmrCV#NMR:0002135 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 65Cu spectra. The children of this class were manually asserted." ; + rdfs:label "65Cu spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 65Cu spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002136 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 67Zn spectra. The children of this class were manually asserted." ; + rdfs:label "67Zn spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 67Zn spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002137 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 69Ga spectra. The children of this class were manually asserted." ; + rdfs:label "69Ga spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 69Ga spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002138 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 71Ga spectra. The children of this class were manually asserted." ; + rdfs:label "71Ga spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 71Ga spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002139 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 73Ge spectra. The children of this class were manually asserted." ; + rdfs:label "73Ge spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 73Ge spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002140 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 75As spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 75As spectra. The children of this class were manually asserted." ; + rdfs:label "75As spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 75As spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002141 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 79Br spectra. The children of this class were manually asserted." ; + rdfs:label "79Br spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000008 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 79Br spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000009 -obo:BFO_0000009 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - owl:disjointWith obo:BFO_0000028 ; - obo:BFO_0000179 "2d-s-region" ; - obo:BFO_0000180 "TwoDimensionalSpatialRegion" ; - obo:IAO_0000112 "an infinitely thin plane in space."@en , - "the surface of a sphere-shaped part of space"@en ; - obo:IAO_0000600 "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "two-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:0002142 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 81Br spectra. The children of this class were manually asserted." ; + rdfs:label "81Br spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000009 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 81Br spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002143 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 83Kr spectra. The children of this class were manually asserted." ; + rdfs:label "83Kr spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000009 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 83Kr spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000011 -obo:BFO_0000011 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - obo:BFO_0000179 "st-region" ; - obo:BFO_0000180 "SpatiotemporalRegion" ; - obo:IAO_0000112 "the spatiotemporal region occupied by a human life"@en , - "the spatiotemporal region occupied by a process of cellular meiosis."@en , - "the spatiotemporal region occupied by the development of a cancer tumor"@en ; - obo:IAO_0000600 "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; - obo:IAO_0000601 "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en , - "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en , - "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en , - "Every spatiotemporal region occupies_spatiotemporal_region itself."@en , - "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; - obo:IAO_0000602 "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " , - "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " , - "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " , - "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " , - "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "spatiotemporal region"@en . +### http://nmrML.org/nmrCV#NMR:0002144 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 85Rb spectra. The children of this class were manually asserted." ; + rdfs:label "85Rb spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 85Rb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002145 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Rb spectra. The children of this class were manually asserted." ; + rdfs:label "87Rb spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Rb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002146 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 91Zr spectra. The children of this class were manually asserted." ; + rdfs:label "91Zr spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 91Zr spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002147 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 93Nb spectra. The children of this class were manually asserted." ; + rdfs:label "93Nb spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 93Nb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002148 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 95Mo spectra. The children of this class were manually asserted." ; + rdfs:label "95Mo spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 95Mo spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002149 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 97Mo spectra. The children of this class were manually asserted." ; + rdfs:label "97Mo spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 97Mo spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002150 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Tc spectra. The children of this class were manually asserted." ; + rdfs:label "99Tc spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 99Tc spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002151 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 99Ru spectra. The children of this class were manually asserted." ; + rdfs:label "99Ru spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 99Ru spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002152 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 101Ru spectra. The children of this class were manually asserted." ; + rdfs:label "101Ru spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 101Ru spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002153 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 105Pd spectra. The children of this class were manually asserted." ; + rdfs:label "105Pd spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000011 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 105Pd spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000015 -obo:BFO_0000015 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - obo:BFO_0000179 "process" ; - obo:BFO_0000180 "Process" ; - obo:IAO_0000112 "a process of cell-division, \\ a beating of the heart"@en , - "a process of meiosis"@en , - "a process of sleeping"@en , - "the course of a disease"@en , - "the flight of a bird"@en , - "the life of an organism"@en , - "your process of aging."@en ; - obo:IAO_0000115 "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; - obo:IAO_0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; - obo:IAO_0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; - rdfs:comment "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "process"@en . +### http://nmrML.org/nmrCV#NMR:0002154 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 113In spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 113In spectra. The children of this class were manually asserted." ; + rdfs:label "113In spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000015 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 113In spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002155 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 115In spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 115In spectra. The children of this class were manually asserted." ; + rdfs:label "115In spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000015 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 115In spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000016 -obo:BFO_0000016 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000017 ; - owl:disjointWith obo:BFO_0000023 ; - obo:BFO_0000179 "disposition" ; - obo:BFO_0000180 "Disposition" ; - obo:IAO_0000112 "an atom of element X has the disposition to decay to an atom of element Y"@en , - "certain people have a predisposition to colon cancer"@en , - "children are innately disposed to categorize objects in certain ways."@en , - "the cell wall is disposed to filter chemicals in endocytosis and exocytosis"@en ; - obo:IAO_0000116 "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type."@en ; - obo:IAO_0000600 "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; - obo:IAO_0000601 "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; - obo:IAO_0000602 "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " , - "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "disposition"@en . +### http://nmrML.org/nmrCV#NMR:0002156 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 121Sb spectra. The children of this class were manually asserted." ; + rdfs:label "121Sb spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 121Sb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002157 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 123Sb spectra. The children of this class were manually asserted." ; + rdfs:label "123Sb spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 123Sb spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002158 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 127I spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 127I spectra. The children of this class were manually asserted." ; + rdfs:label "127I spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 127I spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002159 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 131Xe spectra. The children of this class were manually asserted." ; + rdfs:label "131Xe spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000016 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 131Xe spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000017 -obo:BFO_0000017 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000020 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000017 - ] ; - owl:disjointWith obo:BFO_0000019 ; - obo:BFO_0000179 "realizable" ; - obo:BFO_0000180 "RealizableEntity" ; - obo:IAO_0000112 "the disposition of this piece of metal to conduct electricity."@en , - "the disposition of your blood to coagulate"@en , - "the function of your reproductive organs"@en , - "the role of being a doctor"@en , - "the role of this boundary to delineate where Utah and Colorado meet"@en ; - obo:IAO_0000115 "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en ; - obo:IAO_0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; - obo:IAO_0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; - obo:IAO_0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , - "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "realizable entity"@en . +### http://nmrML.org/nmrCV#NMR:0002160 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 133Cs spectra. The children of this class were manually asserted." ; + rdfs:label "133Cs spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 133Cs spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002161 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 135Ba spectra. The children of this class were manually asserted." ; + rdfs:label "135Ba spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 135Ba spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002162 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 137Ba spectra. The children of this class were manually asserted." ; + rdfs:label "137Ba spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 137Ba spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002163 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 138La spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 138La spectra. The children of this class were manually asserted." ; + rdfs:label "138La spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000017 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 138La spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000018 -obo:BFO_0000018 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - owl:disjointWith obo:BFO_0000028 ; - obo:BFO_0000179 "0d-s-region" ; - obo:BFO_0000180 "ZeroDimensionalSpatialRegion" ; - obo:IAO_0000600 "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "zero-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:0002164 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 139La spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 139La spectra. The children of this class were manually asserted." ; + rdfs:label "139La spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000018 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 139La spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002165 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 177Hf spectra. The children of this class were manually asserted." ; + rdfs:label "177Hf spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000018 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 177Hf spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000019 -obo:BFO_0000019 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000020 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000019 - ] ; - obo:BFO_0000179 "quality" ; - obo:BFO_0000180 "Quality" ; - obo:IAO_0000112 "the ambient temperature of this portion of air"@en , - "the color of a tomato"@en , - "the length of the circumference of your waist"@en , - "the mass of this piece of gold."@en , - "the shape of your nose"@en , - "the shape of your nostril"@en ; - obo:IAO_0000600 "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; - obo:IAO_0000601 "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " , - "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "quality"@en . +### http://nmrML.org/nmrCV#NMR:0002166 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 179Hf spectra. The children of this class were manually asserted." ; + rdfs:label "179Hf spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 179Hf spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002167 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 181Ta spectra. The children of this class were manually asserted." ; + rdfs:label "181Ta spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 181Ta spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002168 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 185Re spectra. The children of this class were manually asserted." ; + rdfs:label "185Re spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 185Re spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002169 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 187Re spectra. The children of this class were manually asserted." ; + rdfs:label "187Re spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000019 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 187Re spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000020 -obo:BFO_0000020 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000002 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000050 ; - owl:allValuesFrom obo:BFO_0000020 - ] ; - owl:disjointWith obo:BFO_0000031 ; - obo:BFO_0000179 "sdc" ; - obo:BFO_0000180 "SpecificallyDependentContinuant" ; - obo:IAO_0000112 "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en , - "of one-sided specifically dependent continuants: the mass of this tomato"@en , - "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en , - "the disposition of this fish to decay"@en , - "the function of this heart: to pump blood"@en , - "the mutual dependence of proton donors and acceptors in chemical reactions [79"@en , - "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction"@en , - "the pink color of a medium rare piece of grilled filet mignon at its center"@en , - "the role of being a doctor"@en , - "the shape of this hole."@en , - "the smell of this portion of mozzarella"@en ; - obo:IAO_0000115 "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; - obo:IAO_0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; - obo:IAO_0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; - rdfs:comment "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "specifically dependent continuant"@en . +### http://nmrML.org/nmrCV#NMR:0002170 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 189Os spectra. The children of this class were manually asserted." ; + rdfs:label "189Os spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 189Os spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002171 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 191Ir spectra. The children of this class were manually asserted." ; + rdfs:label "191Ir spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000020 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; - obo:IAO_0010000 ; - rdfs:comment "per discussion with Barry Smith" + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 191Ir spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002172 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 193Ir spectra. The children of this class were manually asserted." ; + rdfs:label "193Ir spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000020 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 193Ir spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000023 -obo:BFO_0000023 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000017 ; - obo:BFO_0000179 "role" ; - obo:BFO_0000180 "Role" ; - obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , - "the priest role"@en , - "the role of a boundary to demarcate two neighboring administrative territories"@en , - "the role of a building in serving as a military target"@en , - "the role of a stone in marking a property boundary"@en , - "the role of subject in a clinical trial"@en , - "the student role"@en ; - obo:IAO_0000115 "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en ; - obo:IAO_0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; - obo:IAO_0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "role"@en . +### http://nmrML.org/nmrCV#NMR:0002173 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 197Au spectra. The children of this class were manually asserted." ; + rdfs:label "197Au spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000023 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 197Au spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:0002174 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 201Hg spectra. The children of this class were manually asserted." ; + rdfs:label "201Hg spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000023 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 201Hg spectra according to IUPAC recommendations." ; + dcterms:source ] . -### http://purl.obolibrary.org/obo/BFO_0000024 -obo:BFO_0000024 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:BFO_0000179 "fiat-object-part" ; - obo:BFO_0000180 "FiatObjectPart" ; - obo:IAO_0000112 "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29"@en , - "the FMA:regional parts of an intact human body."@en , - "the Western hemisphere of the Earth"@en , - "the division of the brain into regions"@en , - "the division of the planet into hemispheres"@en , - "the dorsal and ventral surfaces of the body"@en , - "the upper and lower lobes of the left lung"@en ; - obo:IAO_0000116 "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions"@en ; - obo:IAO_0000600 "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; - obo:IAO_0000602 "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "fiat object part"@en . +### http://nmrML.org/nmrCV#NMR:0002175 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:created "2024-08-22T15:59:35Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 209Bi spectra. The children of this class were manually asserted." ; + rdfs:label "209Bi spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000024 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 209Bi spectra according to IUPAC recommendations." ; + dcterms:source ] . + +### http://nmrML.org/nmrCV#NMR:1000000 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of integers (32bits)." ; + rdfs:label "integer32"@en . + + +### http://nmrML.org/nmrCV#NMR:1000001 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A reference number relevant to the sample under study." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000001" ; + rdfs:label "sample number" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000024 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A reference number relevant to the sample under study." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." ] . -### http://purl.obolibrary.org/obo/BFO_0000026 -obo:BFO_0000026 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - owl:disjointWith obo:BFO_0000028 ; - obo:BFO_0000179 "1d-s-region" ; - obo:BFO_0000180 "OneDimensionalSpatialRegion" ; - obo:IAO_0000112 "an edge of a cube-shaped portion of space."@en ; - obo:IAO_0000600 "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "one-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:1000002 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "For 1r/1i spectra and for Bruker, this term describe an array of longs (64bits)." ; + rdfs:label "long64"@en . + + +### http://nmrML.org/nmrCV#NMR:1000003 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The chemical phase of a pure sample, or the state of a mixed sample." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000003" ; + rdfs:label "sample state information" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000026 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The chemical phase of a pure sample, or the state of a mixed sample." ; + oboInOwl:hasDbXref "MSI:NMR" ] . + +### http://nmrML.org/nmrCV#NMR:1000004 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Total mass of sample used." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000004" ; + rdfs:label "sample mass information" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000026 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Total mass of sample used." ; + oboInOwl:hasDbXref "MSI:NMR" ] . +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." + ] . -### http://purl.obolibrary.org/obo/BFO_0000027 -obo:BFO_0000027 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:BFO_0000179 "object-aggregate" ; - obo:BFO_0000180 "ObjectAggregate" ; - obo:IAO_0000112 "a collection of cells in a blood biobank."@en , - "a swarm of bees is an aggregate of members who are linked together through natural bonds"@en , - "a symphony orchestra"@en , - "an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)"@en , - "defined by fiat: the aggregate of members of an organization"@en , - "defined through physical attachment: the aggregate of atoms in a lump of granite"@en , - "defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container"@en , - "defined via attributive delimitations such as: the patients in this hospital"@en , - "the aggregate of bearings in a constant velocity axle joint"@en , - "the aggregate of blood cells in your body"@en , - "the nitrogen atoms in the atmosphere"@en , - "the restaurants in Palo Alto"@en , - "your collection of Meissen ceramic plates."@en ; - obo:IAO_0000116 "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " , - "BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee)."@en ; - obo:IAO_0000119 "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; - obo:IAO_0000600 "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; - obo:IAO_0000602 "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "object aggregate"@en . + +### http://nmrML.org/nmrCV#NMR:1000005 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Total volume of solution used." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000005" ; + rdfs:label "sample volume" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Total volume of solution used." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." ] . + +### http://nmrML.org/nmrCV#NMR:1000006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000006" ; + rdfs:label "sample concentration" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000119 ; - owl:annotatedTarget "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Concentration of sample in picomol/ul, femtomol/ul or attomol/ul solution used." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." ] . + +### http://nmrML.org/nmrCV#NMR:1000008 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible +to determine if the frequency is positive or negative. The instrument uses a spectrometer +frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule +produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency +is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency +signals are very easy frequency to detect, transmit, amplify and sample. +The complication with this rotating frame of reference is that a single detector can not distinguish positive and +negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels +separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these +two channels, it is possible to distinguish positive and negative frequencies. This section shows how the +quadrature signal is processed to obtain an NMR spectrum. +The Fourier transform produces a complex number with a real and an imaginary component. The Re function +extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number.""" ; + rdfs:label "quadrature detection"@en . + + +### http://nmrML.org/nmrCV#NMR:1000010 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "contact role"@en . + + +### http://nmrML.org/nmrCV#NMR:1000011 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "data file attribute"@en . + + +### http://nmrML.org/nmrCV#NMR:1000012 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "The concept represented by this class is already present ('NMR instrument') and ontologically more correct." ; + obo:IAO_0000231 obo:IAO_0000227 ; + obo:IAO_0100001 ; + rdfs:label "obsolete_NMR instrument type"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000013 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1D spectrum coordinate system descriptor"@en . + + +### http://nmrML.org/nmrCV#NMR:1000014 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pre-acquisition solvent suppression"@en . + + +### http://nmrML.org/nmrCV#NMR:1000015 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000016 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_38589 ; + rdfs:label "obsolete_Hexafluorobenzene"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000017 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85365 ; + oboInOwl:hasExactSynonym "CDCl3" ; + rdfs:label "obsolete_Chloroform-d"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000018 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_41981 ; + oboInOwl:consider "CHEBI:41981" ; + oboInOwl:hasExactSynonym "D2O" ; + rdfs:label "obsolete_heavy water"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000019 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "sample pH"@en . + + +### http://nmrML.org/nmrCV#NMR:1000020 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "post buffer pH"@en . + + +### http://nmrML.org/nmrCV#NMR:1000021 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca-Serra" ; + obo:IAO_0000119 "http://www.scs.illinois.edu/nmr/handouts/general_pdf/ugi034.pdf" ; + rdfs:label "apodization" ; + skos:definition """Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. +Apodization is usually performed by applying a window function to the FID""" . + + +### http://nmrML.org/nmrCV#NMR:1000022 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.metabolomicssociety.org/databases" ; + rdfs:comment "PRS: rename 'reference' to 'identifier'"@en ; + rdfs:label "metabolomics database identifier"@en . + + +### http://nmrML.org/nmrCV#NMR:1000023 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Metabolights identifier"@en . + + +### http://nmrML.org/nmrCV#NMR:1000024 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_38472 ; + rdfs:label "obsolete_acetonitrile"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000025 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_47032 ; + rdfs:label "obsolete_1,4-Dioxane"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000026 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 1H spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 1H spectra. The children of this class were manually asserted." ; + rdfs:label "1H spectrum chemical shift reference compound"@en . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000027 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 1H spectra according to IUPAC recommendations." ; + dcterms:source , + ] . -### http://purl.obolibrary.org/obo/BFO_0000028 -obo:BFO_0000028 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000006 ; - obo:BFO_0000179 "3d-s-region" ; - obo:BFO_0000180 "ThreeDimensionalSpatialRegion" ; - obo:IAO_0000112 "a cube-shaped region of space"@en , - "a sphere-shaped region of space,"@en ; - obo:IAO_0000600 "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "three-dimensional spatial region"@en . +### http://nmrML.org/nmrCV#NMR:1000027 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_228806 ; + oboInOwl:hasExactSynonym "DSS" ; + rdfs:label "obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000028 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_32954 ; + rdfs:label "obsolete_sodium acetate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000029 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85361 ; + oboInOwl:hasExactSynonym "TMS" ; + rdfs:label "obsolete_tetramethylsilane"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000030 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 13C spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 13C spectra. The children of this class were manually asserted." ; + rdfs:label "13C spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000028 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 13C spectra according to IUPAC recommendations." ; + dcterms:source , + ] . + +### http://nmrML.org/nmrCV#NMR:1000031 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Instrument model name not including the vendor's name." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000031" ; + rdfs:label "NMR instrument model" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000028 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Instrument model name not including the vendor's name." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000029 -obo:BFO_0000029 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000141 ; - obo:BFO_0000179 "site" ; - obo:BFO_0000180 "Site" ; - obo:IAO_0000112 "Manhattan Canyon)"@en , - "a hole in the interior of a portion of cheese"@en , - "a rabbit hole"@en , - "an air traffic control region defined in the airspace above an airport"@en , - "the Grand Canyon"@en , - "the Piazza San Marco"@en , - "the cockpit of an aircraft"@en , - "the hold of a ship"@en , - "the interior of a kangaroo pouch"@en , - "the interior of the trunk of your car"@en , - "the interior of your bedroom"@en , - "the interior of your office"@en , - "the interior of your refrigerator"@en , - "the lumen of your gut"@en , - "your left nostril (a fiat part – the opening – of your left nasal cavity)"@en ; - obo:IAO_0000600 "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; - obo:IAO_0000602 "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "site"@en . +### http://nmrML.org/nmrCV#NMR:1000032 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Free text description of a single customization made to the instrument; for several modifications, use several entries." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000032" ; + rdfs:label "instrument customization" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000029 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Free text description of a single customization made to the instrument; for several modifications, use several entries." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000029 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." ] . -### http://purl.obolibrary.org/obo/BFO_0000030 -obo:BFO_0000030 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:BFO_0000179 "object" ; - obo:BFO_0000180 "Object" ; - obo:IAO_0000112 "atom"@en , - "cell"@en , - "cells and organisms"@en , - "engineered artifacts"@en , - "grain of sand"@en , - "molecule"@en , - "organelle"@en , - "organism"@en , - "planet"@en , - "solid portions of matter"@en , - "star"@en ; - obo:IAO_0000116 "BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting."@en , - "BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below)."@en , - "BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47"@en , - "BFO 2 Reference: an object is a maximal causally unified material entity"@en , - "BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74"@en ; - obo:IAO_0000600 "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "object"@en . +### http://nmrML.org/nmrCV#NMR:1000033 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85365 ; + rdfs:label "obsolete_Chloroform-d1"@en ; + owl:deprecated "true"^^xsd:boolean . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000030 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000034 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "keyword" . -### http://purl.obolibrary.org/obo/BFO_0000031 -obo:BFO_0000031 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000002 ; - obo:BFO_0000179 "gdc" ; - obo:BFO_0000180 "GenericallyDependentContinuant" ; - obo:IAO_0000112 "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity."@en , - "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop"@en , - "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; - obo:IAO_0000115 "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; - obo:IAO_0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "generically dependent continuant"@en . + +### http://nmrML.org/nmrCV#NMR:1000035 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_55317 ; + rdfs:label "obsolete_tetramethylammonium bromide"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000036 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 15N spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 15N spectra. The children of this class were manually asserted." ; + rdfs:label "15N spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000031 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 15N spectra according to IUPAC recommendations." ; + dcterms:source , + ] . + +### http://nmrML.org/nmrCV#NMR:1000037 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_16134 ; + rdfs:label "obsolete_ammonia (liquid)"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000038 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85364 ; + rdfs:label "obsolete_ammonium bromide"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000039 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_34856 ; + rdfs:label "obsolete_1,4-morpholine"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000040 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_77701 ; + rdfs:label "obsolete_nitromethane"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000041 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_16227 ; + rdfs:label "obsolete_pyridine"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000042 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_63005 ; + rdfs:label "obsolete_sodium nitrate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000043 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "solvent filtering" ; + rdfs:label "post-acquisition solvent suppression"@en . + + +### http://nmrML.org/nmrCV#NMR:1000044 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks which are up to several hertz frequency from each other. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds." ; + dce:source "http://en.wikipedia.org/wiki/Nuclear_magnetic_resonance_decoupling" ; + rdfs:label "decoupling method"@en . + + +### http://nmrML.org/nmrCV#NMR:1000045 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear decoupling"@en . + + +### http://nmrML.org/nmrCV#NMR:1000046 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear decoupling"@en . + + +### http://nmrML.org/nmrCV#NMR:1000047 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in emulsion form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000047" ; + rdfs:label "emulsion" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000031 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in emulsion form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000034 -obo:BFO_0000034 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000016 ; - obo:BFO_0000179 "function" ; - obo:BFO_0000180 "Function" ; - obo:IAO_0000112 "the function of a hammer to drive in nails"@en , - "the function of a heart pacemaker to regulate the beating of a heart through electricity"@en , - "the function of amylase in saliva to break down starch into sugar"@en ; - obo:IAO_0000116 "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc."@en ; - obo:IAO_0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "function"@en . +### http://nmrML.org/nmrCV#NMR:1000048 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in gaseous form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000048" ; + rdfs:label "gas" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000034 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in gaseous form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . + +### http://nmrML.org/nmrCV#NMR:1000049 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in liquid form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000049" ; + rdfs:label "liquid" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000034 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in liquid form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000035 -obo:BFO_0000035 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000003 ; - obo:BFO_0000179 "p-boundary" ; - obo:BFO_0000180 "ProcessBoundary" ; - obo:IAO_0000112 "the boundary between the 2nd and 3rd year of your life."@en ; - obo:IAO_0000115 "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; - obo:IAO_0000601 "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; - obo:IAO_0000602 "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " , - "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "process boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000050 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in solid form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000050" ; + rdfs:label "solid" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "State if the sample is in solid form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; - obo:IAO_0010000 - ] . + +### http://nmrML.org/nmrCV#NMR:1000051 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in solution form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000051" ; + rdfs:label "solution" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in solution form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . + +### http://nmrML.org/nmrCV#NMR:1000052 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "State if the sample is in suspension form." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000052" ; + rdfs:label "suspension" . + [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000035 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "State if the sample is in suspension form." ; + oboInOwl:hasDbXref "MSI:NMR" ] . -### http://purl.obolibrary.org/obo/BFO_0000038 -obo:BFO_0000038 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000008 ; - owl:disjointWith obo:BFO_0000148 ; - obo:BFO_0000179 "1d-t-region" ; - obo:BFO_0000180 "OneDimensionalTemporalRegion" ; - obo:IAO_0000112 "the temporal region during which a process occurs."@en ; - obo:IAO_0000116 "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)."@en ; - obo:IAO_0000600 "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "one-dimensional temporal region"@en . +### http://nmrML.org/nmrCV#NMR:1000053 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Sample batch lot identifier." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000053" ; + rdfs:label "sample batch information" . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000038 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Sample batch lot identifier." ; + oboInOwl:hasDbXref "MSI:NMR" ] . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000038 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; - obo:IAO_0010000 + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." ] . -### http://purl.obolibrary.org/obo/BFO_0000040 -obo:BFO_0000040 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000004 ; - owl:disjointWith obo:BFO_0000141 ; - obo:BFO_0000179 "material" ; - obo:BFO_0000180 "MaterialEntity" ; - obo:IAO_0000112 "a flame"@en , - "a forest fire"@en , - "a human being"@en , - "a hurricane"@en , - "a photon"@en , - "a puff of smoke"@en , - "a sea wave"@en , - "a tornado"@en , - "an aggregate of human beings."@en , - "an energy wave"@en , - "an epidemic"@en , - "the undetached arm of a human being"@en ; - obo:IAO_0000115 "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en ; - obo:IAO_0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , - "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , - "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en ; - obo:IAO_0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; - obo:IAO_0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , - "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; - obo:IAO_0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " , - "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " , - "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "material entity"@en . +### http://nmrML.org/nmrCV#NMR:1000054 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "broad band decoupling"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000055 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "off resonance decoupling"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000601 ; - owl:annotatedTarget "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000056 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "band-selective decoupling" , + "narowband decoupling" ; + rdfs:label "specific decoupling"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000040 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000057 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "angle of sinusoid"@en . -### http://purl.obolibrary.org/obo/BFO_0000140 -obo:BFO_0000140 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000141 ; - obo:BFO_0000179 "cf-boundary" ; - obo:BFO_0000180 "ContinuantFiatBoundary" ; - obo:IAO_0000115 "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; - obo:IAO_0000116 "BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions."@en , - "BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29"@en , - "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; - obo:IAO_0000601 "Every continuant fiat boundary is located at some spatial region at every time at which it exists"@en ; - obo:IAO_0000602 "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000058 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 31P spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 31P spectra. The children of this class were manually asserted." ; + rdfs:label "31P spectrum chemical shift reference compound"@en . [ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedSource ; owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; - obo:IAO_0010000 + owl:annotatedTarget "A chemical shift reference compound used for 31P spectra according to IUPAC recommendations." ; + dcterms:source , + ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000140 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000140 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000059 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_26078 ; + oboInOwl:hasExactSynonym "H3PO4" ; + rdfs:label "obsolete_phosphoric acid"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/BFO_0000141 -obo:BFO_0000141 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000004 ; - obo:BFO_0000179 "immaterial" ; - obo:BFO_0000180 "ImmaterialEntity" ; - obo:IAO_0000116 "BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "immaterial entity"@en . +### http://nmrML.org/nmrCV#NMR:1000060 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_37971 ; + oboInOwl:hasExactSynonym "P4" ; + rdfs:label "obsolete_phosphorus"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/BFO_0000142 -obo:BFO_0000142 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000140 ; - owl:disjointWith obo:BFO_0000146 , - obo:BFO_0000147 ; - obo:BFO_0000179 "1d-cf-boundary" ; - obo:BFO_0000180 "OneDimensionalContinuantFiatBoundary" ; - obo:IAO_0000112 "The Equator"@en , - "all geopolitical boundaries"@en , - "all lines of latitude and longitude"@en , - "the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin."@en , - "the median sulcus of your tongue"@en ; - obo:IAO_0000600 "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; - obo:IAO_0000602 "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "one-dimensional continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000061 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_46324 ; + oboInOwl:hasExactSynonym "(CH3O)3PO" ; + rdfs:label "obsolete_trimethyl phosphate"@en ; + owl:deprecated "true"^^xsd:boolean . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000142 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000142 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000062 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_183318 ; + oboInOwl:hasExactSynonym "P(C6H5)3" ; + rdfs:label "obsolete_triphenylphosphine"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/BFO_0000144 -obo:BFO_0000144 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000015 ; - owl:disjointWith obo:BFO_0000182 ; - obo:BFO_0000179 "process-profile" ; - obo:BFO_0000180 "ProcessProfile" ; - obo:IAO_0000112 "On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels"@en , - "One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance."@en , - "The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on."@en ; - obo:IAO_0000115 "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; - obo:IAO_0000600 "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; - obo:IAO_0000602 "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " , - "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "process profile"@en . +### http://nmrML.org/nmrCV#NMR:1000063 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_36601 ; + oboInOwl:hasExactSynonym "O=P(C6H5)3" ; + rdfs:label "obsolete_triphenylphosphine oxide"@en ; + owl:deprecated "true"^^xsd:boolean . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000064 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "co-dissolved internal reference"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000144 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000065 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "synthetic reference signal"@en . -### http://purl.obolibrary.org/obo/BFO_0000145 -obo:BFO_0000145 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000019 ; - obo:BFO_0000179 "r-quality" ; - obo:BFO_0000180 "RelationalQuality" ; - obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , - "a marriage bond, an instance of requited love, an obligation between one person and another."@en ; - obo:IAO_0000115 "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; - obo:IAO_0000602 "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "relational quality"@en . +### http://nmrML.org/nmrCV#NMR:1000066 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "residual solvent signal"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000145 ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000145 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000067 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "FID zero filling"@en . -### http://purl.obolibrary.org/obo/BFO_0000146 -obo:BFO_0000146 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000140 ; - obo:BFO_0000179 "2d-cf-boundary" ; - obo:BFO_0000180 "TwoDimensionalContinuantFiatBoundary" ; - obo:IAO_0000600 "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; - obo:IAO_0000602 "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "two-dimensional continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000068 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data extrapolation using linear prediction"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000146 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; - obo:IAO_0010000 - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000146 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000069 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "multiplying FID by window function"@en . -### http://purl.obolibrary.org/obo/BFO_0000147 -obo:BFO_0000147 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000140 ; - obo:BFO_0000179 "0d-cf-boundary" ; - obo:BFO_0000180 "ZeroDimensionalContinuantFiatBoundary" ; - obo:IAO_0000112 "the geographic North Pole"@en , - "the point of origin of some spatial coordinate system."@en , - "the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet"@en ; - obo:IAO_0000116 "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; - obo:IAO_0000600 "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; - obo:IAO_0000602 "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "zero-dimensional continuant fiat boundary"@en . +### http://nmrML.org/nmrCV#NMR:1000070 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "FID fourier transformation"@en ; + skos:definition "The mathematical conversion of time-resolved FID raw data into frequency resolved NMR spectra (frequency-resolved NMR data) by means of fourier transformation of coordinate systems." . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000147 ; - owl:annotatedProperty obo:IAO_0000116 ; - owl:annotatedTarget "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; - obo:IAO_0010000 ; - rdfs:comment "requested by Melanie Courtot" ; - rdfs:seeAlso - ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000147 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000071 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "phasing" , + "spectral phasing" ; + rdfs:label "phase correction"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000147 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000072 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak integration"@en . -### http://purl.obolibrary.org/obo/BFO_0000148 -obo:BFO_0000148 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000008 ; - obo:BFO_0000179 "0d-t-region" ; - obo:BFO_0000180 "ZeroDimensionalTemporalRegion" ; - obo:IAO_0000112 "a temporal region that is occupied by a process boundary"@en , - "right now"@en , - "the moment at which a child is born"@en , - "the moment at which a finger is detached in an industrial accident"@en , - "the moment of death."@en ; - obo:IAO_0000118 "temporal instant."@en ; - obo:IAO_0000600 "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; - obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "zero-dimensional temporal region"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000148 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000073 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak alignment"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000148 ; - owl:annotatedProperty obo:IAO_0000602 ; - owl:annotatedTarget "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000074 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak shape fitting"@en . -### http://purl.obolibrary.org/obo/BFO_0000182 -obo:BFO_0000182 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000015 ; - obo:BFO_0000179 "history" ; - obo:BFO_0000180 "History" ; - obo:IAO_0000600 "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; - rdfs:isDefinedBy obo:bfo.owl ; - rdfs:label "history"@en . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:BFO_0000182 ; - owl:annotatedProperty obo:IAO_0000600 ; - owl:annotatedTarget "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; - obo:IAO_0010000 - ] . +### http://nmrML.org/nmrCV#NMR:1000075 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "spectral referencing"@en . -### http://purl.obolibrary.org/obo/GO_0003674 -obo:GO_0003674 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000077 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85363 ; + dce:source "Pohl, L.; Eckle, M. (1969). \"Sodium 3-(trimethylsilyl)tetradeuteriopropionate, a new water-soluble standard for 1H.N.M.R.\". Angewandte Chemie, International Edition in English 8 (5): 381. doi:10.1002/anie.196903811" ; + oboInOwl:hasExactSynonym "TMSP" , + "trimethylsilyl propanoic acid" ; + rdfs:label "obsolete_sodium trimethylsilyl-propionate"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/GO_0008150 -obo:GO_0008150 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000078 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be 'linear scaling algorithm'" ; + rdfs:label "linear scaling"@en . -### http://purl.obolibrary.org/obo/GO_0016301 -obo:GO_0016301 rdf:type owl:Class ; - rdfs:subClassOf [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002481 ; - owl:hasSelf "true"^^xsd:boolean - ] . +### http://nmrML.org/nmrCV#NMR:1000079 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be called 'scaling algorithm'" ; + rdfs:label "scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000005 -obo:IAO_0000005 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000080 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be postfixed with algorithm" ; + rdfs:label "non-linear scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000009 -obo:IAO_0000009 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000081 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "total spectral area scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000010 -obo:IAO_0000010 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000082 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Dieterle F, Ross A, Schlotterbeck G, Senn H: Probabilistic quotient normalization as robust method to account for dilution of complex biological mixtures. Application in 1H NMR metabonomics. Anal Chem 2006, 78(13):4281-90." ; + rdfs:label "probabilistic quotient normalization"@en . -### http://purl.obolibrary.org/obo/IAO_0000027 -obo:IAO_0000027 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000030 ; - obo:IAO_0000111 "data item"@en ; - obo:IAO_0000112 "Data items include counts of things, analyte concentrations, and statistical summaries."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements."@en ; - obo:IAO_0000116 "2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers."@en , - "2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum."@en , - "2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym."@en , - "2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/" , - """JAR: datum -- well, this will be very tricky to define, but maybe some -information-like stuff that might be put into a computer and that is -meant, by someone, to denote and/or to be interpreted by some -process... I would include lists, tables, sentences... I think I might -defer to Barry, or to Brian Cantwell Smith +### http://nmrML.org/nmrCV#NMR:1000083 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "glog scaling" ; + rdfs:label "scaling by generalized logarithmic transformation"@en . -JAR: A data item is an approximately justified approximately true approximate belief"""@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , - "PERSON: Chris Stoeckert"@en , - "PERSON: Jonathan Rees"@en ; - obo:IAO_0000118 "data"@en ; - rdfs:label "data item"@en . +### http://nmrML.org/nmrCV#NMR:1000084 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pareto scaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000030 -obo:IAO_0000030 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000031 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:IAO_0000136 ; - owl:someValuesFrom obo:BFO_0000001 - ] ; - obo:IAO_0000111 "information content entity"@en ; - obo:IAO_0000112 "Examples of information content entites include journal articles, data, graphical layouts, and graphs."@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A generically dependent continuant that is about some thing."@en ; - obo:IAO_0000116 "2014-03-10: The use of \"thing\" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ)."@en , - """information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). -Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity."""@en ; - obo:IAO_0000117 "PERSON: Chris Stoeckert"@en ; - obo:IAO_0000119 "OBI_0000142"@en ; - rdfs:label "information content entity"@en . +### http://nmrML.org/nmrCV#NMR:1000085 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "autoscaling"@en . -### http://purl.obolibrary.org/obo/IAO_0000037 -obo:IAO_0000037 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000086 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "JRES spectrum" ; + rdfs:label "2D J-resolved spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_0000038 -obo:IAO_0000038 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000087 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.biomedcentral.com/1471-2105/12/366#B2" ; + rdfs:label "MetaboLab software"@en . -### http://purl.obolibrary.org/obo/IAO_0000064 -obo:IAO_0000064 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000088 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Metaboquant software"@en . -### http://purl.obolibrary.org/obo/IAO_0000078 -obo:IAO_0000078 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:oneOf ( obo:IAO_0000002 - obo:IAO_0000120 - obo:IAO_0000121 - obo:IAO_0000122 - obo:IAO_0000123 - obo:IAO_0000124 - obo:IAO_0000125 - obo:IAO_0000423 - obo:IAO_0000428 - ) - ] ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "curation status specification"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; - obo:IAO_0000116 "Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting)"@en ; - obo:IAO_0000117 "PERSON:Bill Bug"@en ; - obo:IAO_0000119 "GROUP:OBI:"@en , - "OBI_0000266"@en ; - rdfs:label "curation status specification"@en . +### http://nmrML.org/nmrCV#NMR:1000089 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "rNMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000098 -obo:IAO_0000098 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000090 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "open source NMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000100 -obo:IAO_0000100 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000091 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "commercial NMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000101 -obo:IAO_0000101 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000092 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Günther U, Ludwig C, Rüterjans H: NMRLAB - advanced NMR data processing in Matlab., J Magn Reson 2000, 145(2):201-208." ; + rdfs:label "NMRLab software"@en . -### http://purl.obolibrary.org/obo/IAO_0000102 -obo:IAO_0000102 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000027 ; - obo:IAO_0000111 "data about an ontology part"@en ; - obo:IAO_0000115 "Data about an ontology part is a data item about a part of an ontology, for example a term"@en ; - obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; - rdfs:label "data about an ontology part"@en . +### http://nmrML.org/nmrCV#NMR:1000093 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR 1995, 6(3):277-293." ; + rdfs:label "NMRPipe software"@en . -### http://purl.obolibrary.org/obo/IAO_0000104 -obo:IAO_0000104 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000094 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "van Beek JD: matNMR: a flexible toolbox for processing, analyzing and visualizing magnetic resonance data in Matlab. J Magn Reson 2007, 187:19-26. " ; + rdfs:label "matNMR software"@en . -### http://purl.obolibrary.org/obo/IAO_0000179 -obo:IAO_0000179 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000095 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "concentration of chemical compound"@en . -### http://purl.obolibrary.org/obo/IAO_0000180 -obo:IAO_0000180 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000096 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "manual phase correction"@en . -### http://purl.obolibrary.org/obo/IAO_0000183 -obo:IAO_0000183 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000097 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "automatic phase correction"@en . -### http://purl.obolibrary.org/obo/IAO_0000184 -obo:IAO_0000184 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000098 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "DC offset correction"@en . -### http://purl.obolibrary.org/obo/IAO_0000225 -obo:IAO_0000225 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:oneOf ( obo:IAO_0000103 - obo:IAO_0000226 - obo:IAO_0000227 - obo:IAO_0000228 - obo:IAO_0000229 - obo:OMO_0001000 - ) - ] ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "obsolescence reason specification"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; - obo:IAO_0000116 "The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology."@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , - "PERSON: Melanie Courtot"@en ; - rdfs:label "obsolescence reason specification"@en . +### http://nmrML.org/nmrCV#NMR:1000099 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://bmcbioinformatics.biomedcentral.com/articles/10.1186/1471-2105-12-366" ; + rdfs:label "Gibbs multiplication"@en . -### http://purl.obolibrary.org/obo/IAO_0000310 -obo:IAO_0000310 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000100 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "skyline projection"@en . -### http://purl.obolibrary.org/obo/IAO_0000409 -obo:IAO_0000409 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:oneOf ( obo:IAO_0000410 - obo:IAO_0000420 - obo:IAO_0000421 - ) - ] ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "denotator type"@en ; - obo:IAO_0000112 "The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are \"natural kinds\" and the latter arbitrary collections of entities."@en ; - obo:IAO_0000115 "A denotator type indicates how a term should be interpreted from an ontological perspective."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "Barry Smith, Werner Ceusters"@en ; - rdfs:label "denotator type"@en . +### http://nmrML.org/nmrCV#NMR:1000101 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "shifted sine apodization" ; + rdfs:label "shifted sine window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000000 -obo:IAO_8000000 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000102 ; - obo:IAO_0000111 "ontology module"@en ; - obo:IAO_0000116 "I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it."@en ; - obo:IAO_0000118 "ontology file"@en ; - obo:IAO_0000232 "This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology."@en ; - rdfs:label "ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000102 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "SINC" , + "Sinc window multiplication" ; + rdfs:label "sinc window multiplication of FID (1D)"@en . -### http://purl.obolibrary.org/obo/IAO_8000001 -obo:IAO_8000001 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "base ontology module"@en ; - obo:IAO_0000115 "An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies."@en ; - rdfs:label "base ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000103 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.sciencedirect.com/science/article/pii/S0003267008000950" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/36" ; + oboInOwl:hasExactSynonym "combined sine-bell–exponential window function" ; + rdfs:label "SEM window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000002 -obo:IAO_8000002 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "editors ontology module"@en ; - obo:IAO_0000115 "An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users."@en ; - obo:IAO_0000118 "source ontology module"@en ; - rdfs:label "editors ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000104 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TRAP" , + "trapezoid apodization" ; + rdfs:comment """Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 + -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization.""" ; + rdfs:label "trapezoid window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000003 -obo:IAO_8000003 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "main release ontology module"@en ; - obo:IAO_0000115 "An ontology module that is intended to be the primary release product and the one consumed by the majority of tools."@en ; - obo:IAO_0000116 "TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module"@en ; - rdfs:label "main release ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000105 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "shifted gaussian window function"@en . -### http://purl.obolibrary.org/obo/IAO_8000004 -obo:IAO_8000004 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "bridge ontology module"@en ; - obo:IAO_0000115 "An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module."@en ; - rdfs:label "bridge ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000106 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "baseline correction using spline function"@en . -### http://purl.obolibrary.org/obo/IAO_8000005 -obo:IAO_8000005 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "import ontology module"@en ; - obo:IAO_0000115 "A subset ontology module that is intended to be imported from another ontology."@en ; - obo:IAO_0000116 "TODO: add axioms that indicate this is the output of a module extraction process."@en ; - obo:IAO_0000118 "import file"@en ; - rdfs:label "import ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000107 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "HSQC NMR spectrum" ; + rdfs:label "heteronuclear single quantum coherence spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000006 -obo:IAO_8000006 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "subset ontology module"@en ; - obo:IAO_0000115 "An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms."@en ; - obo:IAO_0000118 "ontology slim"@en , - "subset ontology"@en ; - rdfs:label "subset ontology module"@en ; - rdfs:seeAlso , - . +### http://nmrML.org/nmrCV#NMR:1000108 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Zangger-Sterk pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000007 -obo:IAO_8000007 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "curation subset ontology module"@en ; - obo:IAO_0000115 "A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation."@en ; - rdfs:label "curation subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000109 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/256" ; + rdfs:label "pure shift 1D Zangger-Sterk pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000008 -obo:IAO_8000008 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "analysis ontology module"@en ; - obo:IAO_0000115 "An ontology module that is intended for usage in analysis or discovery applications."@en ; - rdfs:label "analysis subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000110 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/264" ; + rdfs:label "oneshot pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000009 -obo:IAO_8000009 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "single layer ontology module"@en ; - obo:IAO_0000115 "A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint."@en ; - obo:IAO_0000118 "ribbon subset"@en ; - rdfs:label "single layer subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000111 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/265" ; + rdfs:label "pure shift oneshot pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000010 -obo:IAO_8000010 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "exclusion subset ontology module"@en ; - obo:IAO_0000115 "A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes."@en ; - obo:IAO_0000118 "antislim"@en ; - rdfs:label "exclusion subset ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000112 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.chemistry.manchester.ac.uk/?q=node/285" ; + oboInOwl:hasExactSynonym "PE Watergate pulse sequence" ; + rdfs:label "perfect echo watergate pulse sequence"@en . -### http://purl.obolibrary.org/obo/IAO_8000011 -obo:IAO_8000011 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000005 ; - obo:IAO_0000111 "external import ontology module"@en ; - obo:IAO_0000115 "An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach."@en ; - obo:IAO_0000118 "external import"@en ; - rdfs:label "external import ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000113 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR Star 3.1 file format"@en . -### http://purl.obolibrary.org/obo/IAO_8000012 -obo:IAO_8000012 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "species subset ontology module"@en ; - obo:IAO_0000115 "A subset ontology that is crafted to either include or exclude a taxonomic grouping of species."@en ; - obo:IAO_0000118 "taxon subset"@en ; - rdfs:label "species subset ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000114 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR Star 2.1 file format"@en . -### http://purl.obolibrary.org/obo/IAO_8000013 -obo:IAO_8000013 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "reasoned ontology module"@en ; - obo:IAO_0000115 "An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available."@en ; - rdfs:label "reasoned ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000115 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "three dimensional spectrum" ; + rdfs:label "3D spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000014 -obo:IAO_8000014 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000000 ; - obo:IAO_0000111 "generated ontology module"@en ; - obo:IAO_0000115 "An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV."@en ; - obo:IAO_0000116 "TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process"@en ; - rdfs:label "generated ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000116 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "four dimensional spectrum" ; + rdfs:label "4D spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000015 -obo:IAO_8000015 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000014 ; - obo:IAO_0000111 "template generated ontology module"@en ; - obo:IAO_0000115 "An ontology module that is automatically generated from a template specification and fillers for slots in that template."@en ; - rdfs:label "template generated ontology module"@en ; - rdfs:seeAlso , - , - . +### http://nmrML.org/nmrCV#NMR:1000117 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum by dimensionality"@en . -### http://purl.obolibrary.org/obo/IAO_8000016 -obo:IAO_8000016 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000004 ; - obo:IAO_0000111 "taxonomic bridge ontology module"@en ; - rdfs:label "taxonomic bridge ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000120 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear chemical shift spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000017 -obo:IAO_8000017 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000006 ; - obo:IAO_0000111 "ontology module subsetted by expressivity"@en ; - rdfs:label "ontology module subsetted by expressivity"@en . +### http://nmrML.org/nmrCV#NMR:1000121 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear chemical shift spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000018 -obo:IAO_8000018 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000017 ; - obo:IAO_0000111 "obo basic subset ontology module"@en ; - obo:IAO_0000115 """A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. +### http://nmrML.org/nmrCV#NMR:1000122 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bruker instrument model." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000122" ; + rdfs:label "Bruker instrument model" . -Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bruker instrument model." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . -An ontology is OBO Basic if and only if it has the following characteristics: -DAG -Unidirectional -No Dangling Clauses -Fully Asserted -Fully Labeled -No equivalence axioms -Singly labeled edges -No qualifier lists -No disjointness axioms -No owl-axioms header -No imports"""@en ; - rdfs:label "obo basic subset ontology module"@en ; - rdfs:seeAlso . +### http://nmrML.org/nmrCV#NMR:1000123 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear exchange spectroscopy spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000019 -obo:IAO_8000019 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000017 ; - obo:IAO_0000111 "ontology module subsetted by OWL profile"@en ; - rdfs:label "ontology module subsetted by OWL profile"@en . +### http://nmrML.org/nmrCV#NMR:1000124 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear exchange spectroscopy spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_8000020 -obo:IAO_8000020 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_8000019 ; - obo:IAO_0000111 "EL++ ontology module"@en ; - rdfs:label "EL++ ontology module"@en . +### http://nmrML.org/nmrCV#NMR:1000128 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "homonuclear J-resolved spectrum"@en . -### http://purl.obolibrary.org/obo/NCBITaxon_9606 -obo:NCBITaxon_9606 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000129 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "heteronuclear J-resolved spectrum"@en . -### http://purl.obolibrary.org/obo/NMRCV_0000000 -obo:NMRCV_0000000 rdf:type owl:Class ; - rdfs:label "root node"@en . +### http://nmrML.org/nmrCV#NMR:1000130 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "calibration test spectrum"@en . -### http://purl.obolibrary.org/obo/OBI_0000011 -obo:OBI_0000011 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; - rdfs:subClassOf obo:BFO_0000015 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; - obo:IAO_0000111 "planned process" , - "planned process"@en ; - obo:IAO_0000112 "Injecting mice with a vaccine in order to test its efficacy" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A process that realizes a plan which is the concretization of a plan specification."@en ; - obo:IAO_0000116 "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" , - """We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some -objectives is a planned process.""" ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000119 "branch derived" ; - obo:IAO_0000232 "6/11/9: Edited at workshop. Used to include: is initiated by an agent" , - "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)"@en ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "planned process"@en . +### http://nmrML.org/nmrCV#NMR:1000131 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR star software"@en . -### http://purl.obolibrary.org/obo/OBI_0000014 -obo:OBI_0000014 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000017 ; - obo:IAO_0000111 "regulator role" ; - obo:IAO_0000112 "Fact sheet - Regulating the companies The role of the regulator. Ofwat is the economic regulator of the water and sewerage industry in England and Wales. http://www.ofwat.gov.uk/aptrix/ofwat/publish.nsf/Content/roleofregulator_factsheet170805"@en ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a regulatory role involved with making and/or enforcing relevant legislation and governmental orders"@en ; - obo:IAO_0000117 "Person:Jennifer Fostel"@en ; - obo:IAO_0000118 "regulator" ; - obo:IAO_0000119 "OBI"@en ; - rdfs:label "regulator role"@en . +### http://nmrML.org/nmrCV#NMR:1000132 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.felixnmr.com/" ; + rdfs:label "Felix software"@en . -### http://purl.obolibrary.org/obo/OBI_0000017 -obo:OBI_0000017 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 ; - obo:IAO_0000111 "regulatory role"@en ; - obo:IAO_0000112 "Regulatory agency, Ethics committee, Approval letter; example: Browse these EPA Regulatory Role subtopics http://www.epa.gov/ebtpages/enviregulatoryrole.html Feb 29, 2008"@en ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a role which inheres in material entities and is realized in the processes of making, enforcing or being defined by legislation or orders issued by a governmental body."@en ; - obo:IAO_0000117 "GROUP: Role branch"@en ; - obo:IAO_0000119 "OBI, CDISC"@en ; - obo:IAO_0000232 "govt agents responsible for creating regulations; proxies for enforcing regulations. CDISC definition: regulatory authorities. Bodies having the power to regulate. NOTE: In the ICH GCP guideline the term includes the authorities that review submitted clinical data and those that conduct inspections. These bodies are sometimes referred to as competent"@en ; - rdfs:label "regulatory role"@en . - - -### http://purl.obolibrary.org/obo/OBI_0000018 -obo:OBI_0000018 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000947 ; - obo:IAO_0000111 "material supplier role" ; - obo:IAO_0000112 "Jackson Labs is an organization which provide mice as experimental material" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a role realized through the process of supplying materials such as animal subjects, reagents or other materials used in an investigation."@en ; - obo:IAO_0000116 "Supplier role is a special kind of service, e.g. biobank" ; - obo:IAO_0000117 "PERSON:Jennifer Fostel"@en ; - obo:IAO_0000118 "material provider role" , - "supplier" ; - rdfs:label "material supplier role"@en . +### http://nmrML.org/nmrCV#NMR:1000133 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "PIPP software"@en . -### http://purl.obolibrary.org/obo/OBI_0000023 -obo:OBI_0000023 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0000663 - ] ; - rdfs:subClassOf obo:BFO_0000002 , - obo:IAO_0000100 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0000663 - ] ; - obo:IAO_0000111 "classified data set" ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A data set that is produced as the output of a class prediction data transformation and consists of a data set with assigned class labels."@en ; - obo:IAO_0000117 "PERSON: James Malone" , - "PERSON: Monnie McGee" ; - obo:IAO_0000118 "data set with assigned class labels" ; - rdfs:label "classified data set"@en . +### http://nmrML.org/nmrCV#NMR:1000134 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "TALOS+ software"@en . -### http://purl.obolibrary.org/obo/OBI_0000112 -obo:OBI_0000112 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000052 ; - owl:someValuesFrom [ owl:intersectionOf ( obo:BFO_0000040 - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0000659 - ] - ) ; - rdf:type owl:Class - ] - ] ; - obo:IAO_0000111 "specimen role" ; - obo:IAO_0000112 "liver section; a portion of a culture of cells; a nemotode or other animal once no longer a subject (generally killed); portion of blood from a patient." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "a role borne by a material entity that is gained during a specimen collection process and that can be realized by use of the specimen in an investigation"@en ; - obo:IAO_0000116 "22Jun09. The definition includes whole organisms, and can include a human. The link between specimen role and study subject role has been removed. A specimen taken as part of a case study is not considered to be a population representative, while a specimen taken as representing a population, e.g. person taken from a cohort, blood specimen taken from an animal) would be considered a population representative and would also bear material sample role." , - "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." , - """blood taken from animal: animal continues in study, whereas blood has role specimen. -something taken from study subject, leaves the study and becomes the specimen."""@en , - """parasite example -- when parasite in people we study people, people are subjects and parasites are specimen -- when parasite extracted, they become subject in the following study -specimen can later be subject."""@en ; - obo:IAO_0000117 "GROUP: Role Branch" ; - obo:IAO_0000119 "OBI" ; - obo:IAO_0000233 ; - rdfs:label "specimen role"@en . +### http://nmrML.org/nmrCV#NMR:1000135 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.cyana.org/wiki/index.php/Main_Page" ; + rdfs:label "CYANA software"@en . -### http://purl.obolibrary.org/obo/OBI_0000245 -obo:OBI_0000245 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:IAO_0000111 "organization"@en ; - obo:IAO_0000112 "PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods."@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members."@en ; - obo:IAO_0000116 """BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: -1) there are organization_member_roles (president, treasurer, branch -editor), with individual persons as bearers +### http://nmrML.org/nmrCV#NMR:1000136 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr.cit.nih.gov/xplor-nih/" ; + rdfs:label "XPLOR-NIH software"@en . -2) there are organization_roles (employer, owner, vendor, patent holder) -3) an organization has a charter / rules / bylaws, which specify what roles -there are, how they should be realized, and how to modify the -charter/rules/bylaws themselves. +### http://nmrML.org/nmrCV#NMR:1000137 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "computed concentration"@en ; + skos:editorialNote "request these in UO ?" . -It is debatable what the organization itself is (some kind of dependent -continuant or an aggregate of people). This also determines who/what the -bearer of organization_roles' are. My personal favorite is still to define -organization as a kind of 'legal entity', but thinking it through leads to -all kinds of questions that are clearly outside the scope of OBI. -Interestingly enough, it does not seem to matter much where we place -organization itself, as long as we can subclass it (University, Corporation, -Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, -W3C, University of Oklahoma), and have it play roles. +### http://nmrML.org/nmrCV#NMR:1000138 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.bpc.uni-frankfurt.de/guentert/wiki/index.php/XEASY" ; + rdfs:label "XEASY software"@en . -This leads to my proposal: We define organization through the statements 1 - -3 above, but without an 'is a' statement for now. We can leave it in its -current place in the is_a hierarchy (material entity) or move it up to -'continuant'. We leave further clarifications to BFO, and close this issue -for now."""@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg" , - "PERSON: Bjoern Peters" , - "PERSON: Philippe Rocca-Serra" , - "PERSON: Susanna Sansone" ; - obo:IAO_0000119 "GROUP: OBI" ; - rdfs:label "organization"@en . +### http://nmrML.org/nmrCV#NMR:1000139 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "sparky software"@en . -### http://purl.obolibrary.org/obo/OBI_0000450 -obo:OBI_0000450 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000245 - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000014 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:OBI_0000245 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000014 - ] ; - obo:IAO_0000111 "regulatory agency"@en ; - obo:IAO_0000112 "The US Environmental Protection Agency" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A regulatory agency is a organization that has responsibility over or for the legislation (acts and regulations) for a given sector of the government."@en ; - obo:IAO_0000117 "GROUP: OBI Biomaterial Branch" ; - obo:IAO_0000119 "WEB: en.wikipedia.org/wiki/Regulator" ; - rdfs:label "regulatory agency"@en . +### http://nmrML.org/nmrCV#NMR:1000140 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://nmr-software.blogspot.de/2007/04/cara.html" ; + rdfs:label "CARA software"@en . -### http://purl.obolibrary.org/obo/OBI_0000571 -obo:OBI_0000571 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000052 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - ] ; - obo:IAO_0000111 "manufacturer role" ; - obo:IAO_0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process." ; - obo:IAO_0000117 "GROUP: Role Branch" ; - obo:IAO_0000119 "OBI" ; - rdfs:label "manufacturer role" . +### http://nmrML.org/nmrCV#NMR:1000141 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Wattos software"@en . -### http://purl.obolibrary.org/obo/OBI_0000648 -obo:OBI_0000648 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0200175 - ] ; - rdfs:subClassOf obo:BFO_0000002 , - obo:IAO_0000100 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000312 ; - owl:someValuesFrom obo:OBI_0200175 - ] ; - obo:IAO_0000111 "clustered data set" ; - obo:IAO_0000112 "A clustered data set is the output of a K means clustering data transformation" ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A data set that is produced as the output of a class discovery data transformation and consists of a data set with assigned discovered class labels."@en ; - obo:IAO_0000117 "PERSON: James Malone" , - "PERSON: Monnie McGee" ; - obo:IAO_0000118 "data set with assigned discovered class labels" ; - obo:IAO_0000232 "AR thinks could be a data item instead" ; - rdfs:label "clustered data set"@en . +### http://nmrML.org/nmrCV#NMR:1000142 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "MADNMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0000659 -obo:OBI_0000659 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000011 - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000684 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:OBI_0000011 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:someValuesFrom obo:BFO_0000040 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0100051 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000684 - ] ; - obo:IAO_0000111 "specimen collection process" ; - obo:IAO_0000112 "drawing blood from a patient for analysis, collecting a piece of a plant for depositing in a herbarium, buying meat from a butcher in order to measure its protein content in an investigation" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A planned process with the objective of collecting a specimen." ; - obo:IAO_0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." , - "Philly2013: A specimen collection can have as part a material entity acquisition, such as ordering from a bank. The distinction is that specimen collection necessarily involves the creation of a specimen role. However ordering cell lines cells from ATCC for use in an investigation is NOT a specimen collection, because the cell lines already have a specimen role." , - "Philly2013: The specimen_role for the specimen is created during the specimen collection process." , - """label changed to 'specimen collection process' on 10/27/2014, details see tracker: -http://sourceforge.net/p/obi/obi-terms/716/""" ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000118 "specimen collection" ; - obo:IAO_0000232 "5/31/2012: This process is not necessarily an acquisition, as specimens may be collected from materials already in posession" , - "6/9/09: used at workshop" ; - rdfs:label "specimen collection process" . +### http://nmrML.org/nmrCV#NMR:1000143 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Pronto software"@en . -### http://purl.obolibrary.org/obo/OBI_0000663 -obo:OBI_0000663 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:unionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000023 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200179 - ] - ) - ] ; - rdfs:subClassOf obo:OBI_0200000 ; - obo:IAO_0000111 "class prediction data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A class prediction data transformation (sometimes called supervised classification) is a data transformation that has objective class prediction."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000118 "supervised classification data transformation" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "class prediction data transformation"@en . +### http://nmrML.org/nmrCV#NMR:1000144 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "TRIAD NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0000684 -obo:OBI_0000684 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000005 ; - obo:IAO_0000111 "specimen collection objective" ; - obo:IAO_0000112 "The objective to collect bits of excrement in the rainforest. The objective to obtain a blood sample from a patient." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A objective specification to obtain a material entity for potential use as an input during an investigation." ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000119 "Bjoern Peters" ; - rdfs:label "specimen collection objective" . +### http://nmrML.org/nmrCV#NMR:1000145 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "library based computed concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000700 -obo:OBI_0000700 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000663 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200179 - ] ; - obo:IAO_0000111 "support vector machine" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A support vector machine is a data transformation with a class prediction objective based on the construction of a separating hyperplane that maximizes the margin between two data sets of vectors in n-dimensional space." ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - obo:IAO_0000118 "SVM" ; - obo:IAO_0000119 "PERSON: Ryan Brinkman" ; - rdfs:label "support vector machine" . - - -### http://purl.obolibrary.org/obo/OBI_0000704 -obo:OBI_0000704 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "decision tree induction objective" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A decision tree induction objective is a data transformation objective in which a tree-like graph of edges and nodes is created and from which the selection of each branch requires that some type of logical decision is made." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "decision tree induction objective" . +### http://nmrML.org/nmrCV#NMR:1000146 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "Lorenzian (-Integration) (Modeled Area) Estimated Concentration" ; + rdfs:comment "https://docs.google.com/spreadsheets/d/1egsLQWoQuCxAYPr9MIo-F0A5K9RCbJSC8yWZyYq_fiQ/edit?usp=sharing" ; + rdfs:label "Lorenzian estimated concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000707 -obo:OBI_0000707 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000704 - ] ; - rdfs:subClassOf obo:OBI_0200000 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000704 - ] ; - obo:IAO_0000111 "decision tree building data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A decision tree building data transformation is a data transformation that has objective decision tree induction."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "decision tree building data transformation"@en . +### http://nmrML.org/nmrCV#NMR:1000147 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "Measured Area (Integration) based Concentration" ; + rdfs:label "measured area based concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000713 -obo:OBI_0000713 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000010 ; - obo:IAO_0000111 "GenePattern software" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "a software that provides access to more than 100 tools for gene expression analysis, proteomics, SNP analysis and common data processing tasks." ; - obo:IAO_0000117 "James Malone" , - "Person:Helen Parkinson" ; - obo:IAO_0000119 "WEB: http://www.broadinstitute.org/cancer/software/genepattern/" ; - rdfs:label "GenePattern software" . +### http://nmrML.org/nmrCV#NMR:1000148 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "time-domain amplitude computed concentration"@en . -### http://purl.obolibrary.org/obo/OBI_0000726 -obo:OBI_0000726 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200000 ; - obo:IAO_0000111 "peak matching" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "Peak matching is a data transformation performed on a dataset of a graph of ordered data points (e.g. a spectrum) with the objective of pattern matching local maxima above a noise threshold" ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - obo:IAO_0000119 "PERSON: Ryan Brinkman" ; - rdfs:label "peak matching" . - - -### http://purl.obolibrary.org/obo/OBI_0000727 -obo:OBI_0000727 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200171 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "k-nearest neighbors"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A k-nearest neighbors is a data transformation which achieves a class discovery or partitioning objective, in which an input data object with vector y is assigned to a class label based upon the k closest training data set points to y; where k is the largest value that class label is assigned."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "k-NN" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "k-nearest neighbors"@en . +### http://nmrML.org/nmrCV#NMR:1000149 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "group time delay compensation"@en ; + rdfs:seeAlso "http://nmr-analysis.blogspot.fr/2008/02/why-arent-bruker-fids-time-corrected.html" ; + skos:definition "This is independent of the bruker acquisition parameter named \"GRPDLY\" (Group Delay), but this is a \"shift\" applied on the fid to calibrate its zero" . -### http://purl.obolibrary.org/obo/OBI_0000749 -obo:OBI_0000749 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000707 ; - obo:IAO_0000111 "CART"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A CART (classification and regression trees) is a data transformation method for producing a classification or regression model with a tree-based structure."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "classification and regression trees" ; - obo:IAO_0000119 "BOOK: David J. Hand, Heikki Mannila and Padhraic Smyth (2001) Principles of Data Mining."@en ; - rdfs:label "CART"@en . +### http://nmrML.org/nmrCV#NMR:1000150 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "scaling by forward linear prediction"@en . -### http://purl.obolibrary.org/obo/OBI_0000792 -obo:OBI_0000792 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200188 - ] ; - rdfs:subClassOf obo:OBI_0200171 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200188 - ] ; - obo:IAO_0000111 "statistical model validation" ; - obo:IAO_0000112 "Using the expression levels of 20 proteins to predict whether a cancer patient will respond to a drug. A practical goal would be to determine which subset of the 20 features should be used to produce the best predictive model. - wikipedia" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A data transformation which assesses how the results of a statistical analysis will generalize to an independent data set." ; - obo:IAO_0000117 "Helen Parkinson" ; - obo:IAO_0000119 "http://en.wikipedia.org/wiki/Cross-validation_%28statistics%29" ; - rdfs:label "statistical model validation" . +### http://nmrML.org/nmrCV#NMR:1000151 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "back calculation of first points by linear-prediction"@en . -### http://purl.obolibrary.org/obo/OBI_0000835 -obo:OBI_0000835 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000571 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000571 - ] ; - obo:IAO_0000111 "manufacturer" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A person or organization that has a manufacturer role." ; - rdfs:label "manufacturer" . +### http://nmrML.org/nmrCV#NMR:1000152 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "scaling by mirror image linear prediction"@en . -### http://purl.obolibrary.org/obo/OBI_0000947 -obo:OBI_0000947 rdf:type owl:Class ; - rdfs:subClassOf obo:BFO_0000023 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000052 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - ] ; - obo:IAO_0000111 "service provider role" ; - obo:IAO_0000112 "Jackson Lab provides experimental animals, EBI provides training on databases, a core facility provides access to a DNA sequencer." ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "is a role which inheres in a person or organization and is realized in in a planned process which provides access to training, materials or execution of protocols for an organization or person" ; - obo:IAO_0000117 "PERSON:Helen Parkinson" ; - rdfs:label "service provider role" . +### http://nmrML.org/nmrCV#NMR:1000153 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "digital filtering"@en . -### http://purl.obolibrary.org/obo/OBI_0000963 -obo:OBI_0000963 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000009 ; - obo:IAO_0000111 "categorical label" ; - obo:IAO_0000112 "The labels 'positive' vs. 'negative', or 'left handed', 'right handed', 'ambidexterous', or 'strongly binding', 'weakly binding' , 'not binding', or '+++', '++', '+', '-' etc. form scales of categorical labels." ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A label that is part of a categorical datum and that indicates the value of the data item on the categorical scale." ; - obo:IAO_0000117 "Bjoern Peters" ; - obo:IAO_0000119 "Bjoern Peters" ; - rdfs:label "categorical label" . +### http://nmrML.org/nmrCV#NMR:1000154 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000119 "Daniel Schober" ; + dce:source "http://jjhelmus.github.io/nmrglue/current/jbnmr_examples/s11_strip_plots.html" ; + rdfs:label "3D strip plot generation"@en ; + skos:definition """A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. +The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus.""" . -### http://purl.obolibrary.org/obo/OBI_0001000 -obo:OBI_0001000 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000310 ; - obo:IAO_0000111 "questionnaire" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A document with a set of printed or written questions with a choice of answers, devised for the purposes of a survey or statistical study."@en ; - obo:IAO_0000116 """JT: It plays a role in collecting data that could be fleshed out more; but I'm thinking it is, in itself, an edited document. -JZ: based on textual definition of edited document, it can be defined as N&S. I prefer to leave questionnaire as a document now. We can add more restrictions in the future and use that to determine it is an edited document or not."""@en , - "Need to clarify if this is a document or a directive information entity (or what their connection is))" ; - obo:IAO_0000117 "PERSON: Jessica Turner"@en ; - obo:IAO_0000119 "Merriam-Webster"@en ; - rdfs:label "questionnaire" . - - -### http://purl.obolibrary.org/obo/OBI_0001930 -obo:OBI_0001930 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001933 ; - obo:IAO_0000111 "categorical value specification" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A value specification that is specifies one category out of a fixed number of nominal categories" ; - obo:IAO_0000117 "PERSON:Bjoern Peters" ; - rdfs:label "categorical value specification" . +### http://nmrML.org/nmrCV#NMR:1000155 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Batman software"@en . -### http://purl.obolibrary.org/obo/OBI_0001933 -obo:OBI_0001933 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000030 ; - obo:IAO_0000111 "value specification" ; - obo:IAO_0000112 "The value of 'positive' in a classification scheme of \"positive or negative\"; the value of '20g' on the quantitative scale of mass." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "An information content entity that specifies a value within a classification scheme or on a quantitative scale." ; - obo:IAO_0000116 "This term is currently a descendant of 'information content entity', which requires that it 'is about' something. A value specification of '20g' for a measurement data item of the mass of a particular mouse 'is about' the mass of that mouse. However there are cases where a value specification is not clearly about any particular. In the future we may change 'value specification' to remove the 'is about' requirement." ; - obo:IAO_0000117 "PERSON:Bjoern Peters" ; - rdfs:label "value specification" . +### http://nmrML.org/nmrCV#NMR:1000156 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL instrument model"@en . -### http://purl.obolibrary.org/obo/OBI_0002076 -obo:OBI_0002076 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:BFO_0000040 - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002351 ; - owl:allValuesFrom obo:OBI_0100051 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 ; - obo:IAO_0000111 "collection of specimens"@en ; - obo:IAO_0000112 "Blood cells collected from multiple donors over the course of a study."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A material entity that has two or more specimens as its parts."@en ; - obo:IAO_0000116 "Details see tracker: https://sourceforge.net/p/obi/obi-terms/778/" ; - obo:IAO_0000117 "Person: Chris Stoeckert, Jie Zheng"@en ; - obo:IAO_0000119 "OBIB, OBI" ; - dce:source "Biobank" ; - rdfs:label "collection of specimens"@en . - - -### http://purl.obolibrary.org/obo/OBI_0002205 -obo:OBI_0002205 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "histologic grade according to AJCC 7th edition" ; - obo:IAO_0000112 "G1:Well differentiated" , - "G4: Undifferentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the American Joint Committee on Cancer (AJCC) 7th Edition grading system." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade according to AJCC 7th edition" . +### http://nmrML.org/nmrCV#NMR:1000157 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "tecmag instrument model"@en . -### http://purl.obolibrary.org/obo/OBI_0002210 -obo:OBI_0002210 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "histologic grade according to the Fuhrman Nuclear Grading System" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a histologic grade assigned to a tumor slide specimen according to the Fuhrman Nuclear Grading System." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Histologic Grade (Fuhrman Nuclear Grading System)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade according to the Fuhrman Nuclear Grading System" . - - -### http://purl.obolibrary.org/obo/OBI_0002215 -obo:OBI_0002215 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "histologic grade for ovarian tumor" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a histologic grade assigned to a ovarian tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade for ovarian tumor" . +### http://nmrML.org/nmrCV#NMR:1000158 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Bao et al. (2013) A new automatic baseline correction method based on iterative method, J. Magn. Res. 218:35-43" , + "Golotvin & Williams (2000), Improved baseline recognition and modeling of FT NMR spectra, J. Magn. Res. 146:122-125" ; + rdfs:label "automatic baseline recognition"@en . -### http://purl.obolibrary.org/obo/OBI_0002216 -obo:OBI_0002216 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002215 ; - obo:IAO_0000111 "histologic grade for ovarian tumor according to a two-tier grading system" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor that is from a two-tier histological classification of tumors." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade for ovarian tumor according to a two-tier grading system" . +### http://nmrML.org/nmrCV#NMR:1000159 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "Deprecated in favor of CHEBI equivalent class." ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_85363 ; + oboInOwl:hasExactSynonym "TSP" ; + rdfs:label "obsolete_Trimethylsilyl propionate"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/OBI_0002219 -obo:OBI_0002219 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002215 ; - obo:IAO_0000111 "histologic grade for ovarian tumor according to the World Health Organization" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor that is from a histological classification by the World Health Organization (WHO)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "histologic grade for ovarian tumor according to the World Health Organization" . +### http://nmrML.org/nmrCV#NMR:1000160 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "pulse sequence from Wishart lab library" ; + rdfs:label "TMIC lab pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0002224 -obo:OBI_0002224 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for colon and rectum according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread colorectal primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for colon and rectum according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002232 -obo:OBI_0002232 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for lung according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM American Joint Committee on Cancer (AJCC) version 7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread lung primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for lung according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002243 -obo:OBI_0002243 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for kidney according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread kidney primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for kidney according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002256 -obo:OBI_0002256 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic primary tumor stage for ovary according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of the primary tumor. TNM pathologic primary tumor findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pT: Pathologic spread ovarian primary tumor (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic primary tumor stage for ovary according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002270 -obo:OBI_0002270 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for colon and rectum according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of colorectal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for colon and rectum according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002279 -obo:OBI_0002279 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for lung according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread colon lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for lung according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002284 -obo:OBI_0002284 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for kidney according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread kidney lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for kidney according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002287 -obo:OBI_0002287 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic lymph node stage for ovary according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to staging of regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "pN: Pathologic spread ovarian lymph nodes (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic lymph node stage for ovary according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002290 -obo:OBI_0002290 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for colon according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of colon cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: colon distant metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for colon according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002298 -obo:OBI_0002298 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for lung according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of lung cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: lung distant metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for lung according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002306 -obo:OBI_0002306 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for kidney according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of renal cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: kidney distant Metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for kidney according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002310 -obo:OBI_0002310 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "pathologic distant metastases stage for ovary according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the TNM AJCC v7 classification system as they pertain to distant metastases. TNM pathologic distant metastasis findings are based on clinical findings supplemented by histopathologic examination of one or more tissue specimens acquired during surgery." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "M: ovarian distant metastases (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pathologic distant metastases stage for ovary according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002314 -obo:OBI_0002314 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "clinical tumor stage group according to AJCC 7th edition" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is an assessment of the stage of a cancer according to the American Joint Committee on Cancer (AJCC) v7 staging systems." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Clinical tumor stage group (AJCC 7th Edition)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "clinical tumor stage group according to AJCC 7th edition" . - - -### http://purl.obolibrary.org/obo/OBI_0002326 -obo:OBI_0002326 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "International Federation of Gynecology and Obstetrics cervical cancer stage value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is an assessment of the stage of a gynecologic cancer according to the International Federation of Gynecology and Obstetrics (FIGO) staging systems." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Clinical FIGO stage" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "International Federation of Gynecology and Obstetrics cervical cancer stage value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002341 -obo:OBI_0002341 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "International Federation of Gynecology and Obstetrics ovarian cancer stage value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is a pathologic finding about one or more characteristics of ovarian cancer following the rules of the FIGO classification system." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Pathologic Tumor Stage Grouping for ovarian cancer (FIGO)" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "International Federation of Gynecology and Obstetrics ovarian cancer stage value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002356 -obo:OBI_0002356 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0001930 ; - obo:IAO_0000111 "performance status value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A categorical value specification that is an assessment of a participant's performance status (general well-being and activities of daily life)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Performance Status Scale" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Performance_status" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "performance status value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002357 -obo:OBI_0002357 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002356 ; - obo:IAO_0000111 "Eastern Cooperative Oncology Group score value specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A performance status value specification designed by the Eastern Cooperative Oncology Group to assess disease progression and its affect on the daily living abilities of the patient." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "ECOG score" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Eastern Cooperative Oncology Group score value specification" . - - -### http://purl.obolibrary.org/obo/OBI_0002363 -obo:OBI_0002363 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0002356 ; - obo:IAO_0000111 "Karnofsky score vaue specification" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A performance status value specification designed for classifying patients 16 years of age or older by their functional impairment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Karnofsky Score" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Karnofsky score vaue specification" . +### http://nmrML.org/nmrCV#NMR:1000161 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "probe gradient strength"@en . -### http://purl.obolibrary.org/obo/OBI_0002989 -obo:OBI_0002989 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Class ; - owl:unionOf ( obo:NCBITaxon_9606 - obo:OBI_0000245 - ) - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000018 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000018 - ] ; - obo:IAO_0000111 "material supplier" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A person or organization that provides material supplies to other people or organizations." ; - obo:IAO_0000117 "Rebecca Jackson" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1289" ; - rdfs:label "material supplier" . +### http://nmrML.org/nmrCV#NMR:1000162 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "e.g. Linux or Windows, ..." ; + rdfs:label "NMR acquisition computer operating system"@en . -### http://purl.obolibrary.org/obo/OBI_0100051 -obo:OBI_0100051 rdf:type owl:Class ; - owl:equivalentClass [ owl:intersectionOf ( obo:BFO_0000040 - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000112 - ] - ) ; - rdf:type owl:Class - ] ; - rdfs:subClassOf obo:BFO_0000040 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000087 ; - owl:someValuesFrom obo:OBI_0000112 - ] ; - obo:IAO_0000111 "specimen"@en ; - obo:IAO_0000112 "Biobanking of blood taken and stored in a freezer for potential future investigations stores specimen." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A material entity that has the specimen role."@en ; - obo:IAO_0000116 "Note: definition is in specimen creation objective which is defined as an objective to obtain and store a material entity for potential use as an input during an investigation." ; - obo:IAO_0000117 "PERSON: James Malone" , - "PERSON: Philippe Rocca-Serra" ; - obo:IAO_0000119 "GROUP: OBI Biomaterial Branch"@en ; - obo:IAO_0000233 ; - rdfs:label "specimen"@en . +### http://nmrML.org/nmrCV#NMR:1000163 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "e.g. Bruker Biospin ICON-NMR" ; + rdfs:label "NMR autosampler software"@en . -### http://purl.obolibrary.org/obo/OBI_0200000 -obo:OBI_0200000 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200166 - ] ; - rdfs:subClassOf obo:OBI_0000011 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom [ owl:intersectionOf ( obo:IAO_0000064 - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000051 ; - owl:someValuesFrom obo:IAO_0000005 - ] - ) ; - rdf:type owl:Class - ] - ] - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200166 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:allValuesFrom obo:IAO_0000027 - ] ; - obo:IAO_0000111 "data transformation"@en ; - obo:IAO_0000112 "The application of a clustering protocol to microarray data or the application of a statistical testing method on a primary data set to determine a p-value." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A planned process that produces output data from input data."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "Helen Parkinson"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Philippe Rocca-Serra" , - "Richard Scheuermann"@en , - "Ryan Brinkman"@en , - "Tina Hernandez-Boussard"@en ; - obo:IAO_0000118 "data analysis"@en , - "data processing"@en ; - obo:IAO_0000119 "Branch editors"@en ; - obo:IAO_0000412 obo:obi.owl ; - rdfs:label "data transformation"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200033 -obo:OBI_0200033 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000792 ; - obo:IAO_0000111 "leave one out cross validation method"@en ; - obo:IAO_0000112 "The authors conducted leave-one-out cross validation to estimate the strength and accuracy of the differentially expressed filtered genes. http://bioinformatics.oxfordjournals.org/cgi/content/abstract/19/3/368" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "is a data transformation : leave-one-out cross-validation (LOOCV) involves using a single observation from the original sample as the validation data, and the remaining observations as the training data. This is repeated such that each observation in the sample is used once as the validation data" ; - obo:IAO_0000116 "2009-11-10. Tracker: https://sourceforge.net/tracker/?func=detail&aid=2893049&group_id=177891&atid=886178" ; - obo:IAO_0000117 "Person:Helen Parkinson" ; - rdfs:label "leave one out cross validation method"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200041 -obo:OBI_0200041 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200171 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "k-means clustering"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A k-means clustering is a data transformation which achieves a class discovery or partitioning objective, which takes as input a collection of objects (represented as points in multidimensional space) and which partitions them into a specified number k of clusters. The algorithm attempts to find the centers of natural clusters in the data. The most common form of the algorithm starts by partitioning the input points into k initial sets, either at random or using some heuristic data. It then calculates the mean point, or centroid, of each set. It constructs a new partition by associating each point with the closest centroid. Then the centroids are recalculated for the new clusters, and the algorithm repeated by alternate applications of these two steps until convergence, which is obtained when the points no longer switch clusters (or alternatively centroids are no longer changed)."@en ; - obo:IAO_0000117 "Elisabetta Manduchi" , - "James Malone"@en , - "Philippe Rocca-Serra" ; - obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/K-means"@en ; - rdfs:label "k-means clustering"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200042 -obo:OBI_0200042 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "hierarchical clustering"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A hierarchical clustering is a data transformation which achieves a class discovery objective, which takes as input data item and builds a hierarchy of clusters. The traditional representation of this hierarchy is a tree (visualized by a dendrogram), with the individual input objects at one end (leaves) and a single cluster containing every object at the other (root)."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/Data_clustering#Hierarchical_clustering"@en ; - rdfs:label "hierarchical clustering"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200050 -obo:OBI_0200050 rdf:type owl:Class ; - rdfs:subClassOf obo:APOLLO_SV_00000796 , - obo:OBI_0200175 , - [ owl:intersectionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) ; - rdf:type owl:Class - ] ; - obo:IAO_0000111 "dimensionality reduction"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A dimensionality reduction is data partitioning which transforms each input m-dimensional vector (x_1, x_2, ..., x_m) into an output n-dimensional vector (y_1, y_2, ..., y_n), where n is smaller than m."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Philippe Rocca-Serra" ; - obo:IAO_0000118 "data projection" ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi"@en , - "PERSON: James Malone"@en , - "PERSON: Melanie Courtot"@en ; - rdfs:label "dimensionality reduction"@en . +### http://nmrML.org/nmrCV#NMR:1000164 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker Biospin ICON-NMR software"@en ; + rdfs:seeAlso "http://www.bruker.com/products/mr/nmr/nmr-software/software/iconnmr/overview.html" . -### http://purl.obolibrary.org/obo/OBI_0200051 -obo:OBI_0200051 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200050 ; - obo:IAO_0000111 "principal components analysis dimensionality reduction"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A principal components analysis dimensionality reduction is a dimensionality reduction achieved by applying principal components analysis and by keeping low-order principal components and excluding higher-order ones."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Philippe Rocca-Serra" ; - obo:IAO_0000118 "pca data reduction"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi"@en , - "PERSON: James Malone"@en , - "PERSON: Melanie Courtot"@en ; - rdfs:label "principal components analysis dimensionality reduction"@en . +### http://nmrML.org/nmrCV#NMR:1000165 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "buffer pH"@en . -### http://purl.obolibrary.org/obo/OBI_0200111 -obo:OBI_0200111 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000011 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:someValuesFrom obo:IAO_0000027 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:IAO_0000038 - obo:IAO_0000101 - ) - ] - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:allValuesFrom obo:IAO_0000027 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:allValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:IAO_0000038 - obo:IAO_0000101 - ) - ] - ] ; - obo:IAO_0000111 "data visualization" ; - obo:IAO_0000112 "Generation of a heatmap from a microarray dataset" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A planned process with the objective to graphically represent some data by inputing the data and outputting images, diagrams or animations."@en ; - obo:IAO_0000117 "Elisabetta Manduchi"@en , - "James Malone"@en , - "Melanie Courtot"@en , - "Tina Boussard"@en ; - obo:IAO_0000118 "data encoding as image" , - "visualization"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi"@en , - "PERSON: James Malone"@en , - "PERSON: Melanie Courtot"@en , - "PERSON: Tina Boussard"@en ; - obo:IAO_0000232 """Possible future hierarchy might include this: -information_encoding ->data_encoding ->>image_encoding""" ; - rdfs:label "data visualization"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200166 -obo:OBI_0200166 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000005 ; - obo:IAO_0000111 "data transformation objective"@en ; - obo:IAO_0000112 "normalize objective"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "An objective specification to transformation input data into output data"@en ; - obo:IAO_0000116 "Modified definition in 2013 Philly OBI workshop" ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "data transformation objective"@en . +### http://nmrML.org/nmrCV#NMR:1000166 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:coverage "e.g. heavy water (D2O)" ; + oboInOwl:hasExactSynonym "lock frequency" ; + rdfs:label "field frequency lock"@en . -### http://purl.obolibrary.org/obo/OBI_0200171 -obo:OBI_0200171 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200172 - ] ; - rdfs:subClassOf obo:OBI_0200000 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200172 - ] ; - obo:IAO_0000111 "partitioning data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A partitioning data transformation is a data transformation that has objective partitioning."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "partitioning data transformation"@en . +### http://nmrML.org/nmrCV#NMR:1000167 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A calibration compound that has a role concentration calibration compound in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + oboInOwl:hasExactSynonym "quantitation standard" ; + rdfs:label "concentration calibration compound"@en . -### http://purl.obolibrary.org/obo/OBI_0200172 -obo:OBI_0200172 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "partitioning objective"@en ; - obo:IAO_0000112 "A k-means clustering which has partitioning objective is a data transformation in which the input data is partitioned into k output sets."@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A partitioning objective is a data transformation objective where the aim is to generate a collection of disjoint non-empty subsets whose union equals a non-empty input set."@en ; - obo:IAO_0000117 "Elisabetta Manduchi" , - "James Malone"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi" ; - rdfs:label "partitioning objective"@en . +### http://nmrML.org/nmrCV#NMR:1000168 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR acquisition software"@en . -### http://purl.obolibrary.org/obo/OBI_0200175 -obo:OBI_0200175 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Class ; - owl:unionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom obo:OBI_0000648 - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0200178 - ] - ) - ] ; - rdfs:subClassOf obo:OBI_0200000 ; - obo:IAO_0000111 "class discovery data transformation"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A class discovery data transformation (sometimes called unsupervised classification) is a data transformation that has objective class discovery."@en ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000118 "clustering data transformation" , - "unsupervised classification data transformation" ; - obo:IAO_0000119 "PERSON: James Malone"@en ; - rdfs:label "class discovery data transformation"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200178 -obo:OBI_0200178 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "class discovery objective"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "A class discovery objective (sometimes called unsupervised classification) is a data transformation objective where the aim is to organize input data (typically vectors of attributes) into classes, where the number of classes and their specifications are not known a priori. Depending on usage, the class assignment can be definite or probabilistic."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "clustering objective" , - "discriminant analysis objective"@en , - "unsupervised classification objective"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi" , - "PERSON: James Malone" ; - rdfs:label "class discovery objective"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200179 -obo:OBI_0200179 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200166 ; - obo:IAO_0000111 "class prediction objective"@en ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 """A class prediction objective (sometimes called supervised classification) is a data transformation objective where the aim is to create a predictor from training data through a machine learning technique. The training data consist of pairs of objects (typically vectors of attributes) and -class labels for these objects. The resulting predictor can be used to attach class labels to any valid novel input object. Depending on usage, the prediction can be definite or probabilistic. A classification is learned from the training data and can then be tested on test data."""@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "classification objective" , - "supervised classification objective"@en ; - obo:IAO_0000119 "PERSON: Elisabetta Manduchi" , - "PERSON: James Malone" ; - rdfs:label "class prediction objective"@en . - - -### http://purl.obolibrary.org/obo/OBI_0200188 -obo:OBI_0200188 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200172 ; - obo:IAO_0000111 "cross validation objective"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "A cross validation objective is a data transformation objective in which the aim is to partition a sample of data into subsets such that the analysis is initially performed on a single subset, while the other subset(s) are retained for subsequent use in confirming and validating the initial analysis."@en ; - obo:IAO_0000117 "James Malone"@en ; - obo:IAO_0000118 "rotation estimation objective"@en ; - obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/Cross_validation" ; - rdfs:label "cross validation objective"@en . +### http://nmrML.org/nmrCV#NMR:1000169 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CIMR MI standard"@en . -### http://purl.obolibrary.org/obo/OBI_0200190 -obo:OBI_0200190 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0200111 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000299 ; - owl:someValuesFrom [ rdf:type owl:Class ; - owl:unionOf ( obo:IAO_0000037 - obo:IAO_0000179 - obo:IAO_0000180 - obo:IAO_0000183 - obo:IAO_0000184 - ) - ] - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000293 ; - owl:allValuesFrom obo:OBI_0000648 - ] ; - obo:IAO_0000111 "clustered data visualization" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A data visualization which has input of a clustered data set and produces an output of a report graph which is capable of rendering data of this type." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "clustered data visualization" . +### http://nmrML.org/nmrCV#NMR:1000170 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "signal line width check"@en . -### http://purl.obolibrary.org/obo/PATO_0000001 -obo:PATO_0000001 rdf:type owl:Class . +### http://nmrML.org/nmrCV#NMR:1000171 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "signal line width at five percent intensity check"@en . -################################################################# -# Individuals -################################################################# -### http://purl.obolibrary.org/obo/IAO_0000002 -obo:IAO_0000002 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "example to be eventually removed"@en ; - rdfs:label "example to be eventually removed"@en . +### http://nmrML.org/nmrCV#NMR:1000172 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "NMR spectrum descriptor"@en . -### http://purl.obolibrary.org/obo/IAO_0000103 -obo:IAO_0000103 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "failed exploratory term"@en ; - obo:IAO_0000115 "The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job"@en ; - obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; - rdfs:label "failed exploratory term"@en . +### http://nmrML.org/nmrCV#NMR:1000173 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pulse width"@en . -### http://purl.obolibrary.org/obo/IAO_0000120 -obo:IAO_0000120 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "metadata complete"@en ; - obo:IAO_0000115 "Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete."@en ; - rdfs:label "metadata complete"@en . +### http://nmrML.org/nmrCV#NMR:1000174 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "hard pulse width"@en . -### http://purl.obolibrary.org/obo/IAO_0000121 -obo:IAO_0000121 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "organizational term"@en ; - obo:IAO_0000115 "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en ; - rdfs:label "organizational term"@en . +### http://nmrML.org/nmrCV#NMR:1000175 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "spectrum width" ; + rdfs:label "sweep width"@en . -### http://purl.obolibrary.org/obo/IAO_0000122 -obo:IAO_0000122 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "ready for release"@en ; - obo:IAO_0000115 "Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking \"ready_for_release\" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed \"ready_for_release\" will also derived from a chain of ancestor classes that are also \"ready_for_release.\""@en ; - rdfs:label "ready for release"@en . +### http://nmrML.org/nmrCV#NMR:1000176 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "number of data points in spectrum" , + "number of first dimension data points" ; + rdfs:label "number of data points"@en . -### http://purl.obolibrary.org/obo/IAO_0000123 -obo:IAO_0000123 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "metadata incomplete"@en ; - obo:IAO_0000115 "Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors."@en ; - rdfs:label "metadata incomplete"@en . +### http://nmrML.org/nmrCV#NMR:1000177 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum." ; + rdfs:label "x end value"@en . -### http://purl.obolibrary.org/obo/IAO_0000124 -obo:IAO_0000124 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "uncurated"@en ; - obo:IAO_0000115 "Nothing done yet beyond assigning a unique class ID and proposing a preferred term."@en ; - rdfs:label "uncurated"@en . +### http://nmrML.org/nmrCV#NMR:1000178 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "y-axis type"@en . -### http://purl.obolibrary.org/obo/IAO_0000125 -obo:IAO_0000125 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "pending final vetting"@en ; - obo:IAO_0000115 "All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor."@en ; - rdfs:label "pending final vetting"@en . +### http://nmrML.org/nmrCV#NMR:1000179 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "bucket x center" ; + rdfs:label "center of bin on x-axis"@en . -### http://purl.obolibrary.org/obo/IAO_0000224 -obo:IAO_0000224 rdf:type owl:NamedIndividual ; - obo:IAO_0000115 "Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes."@en ; - obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , - "PERSON: Melanie Courtot"@en ; - obo:IAO_0000231 obo:IAO_0000226 ; - rdfs:label "obsolete_core"@en ; - owl:deprecated "true"^^xsd:boolean . +### http://nmrML.org/nmrCV#NMR:1000180 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "NMR spectrum quantification method" ; + rdfs:label "spectral quantitation algorithm"@en . -### http://purl.obolibrary.org/obo/IAO_0000226 -obo:IAO_0000226 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "placeholder removed"@en ; - rdfs:label "placeholder removed"@en . +### http://nmrML.org/nmrCV#NMR:1000181 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The NMRProcFlow open source software provides a complete set of tools for processing (e.g. Bucketing) and visualization of 1D NMR data, the whole within an interactive interface based on a spectra visualization."@en ; + rdfs:label "NMRProcFlow software"@en ; + foaf:homepage "http://www.nmrprocflow.org/"@en . -### http://purl.obolibrary.org/obo/IAO_0000227 -obo:IAO_0000227 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "terms merged"@en ; - obo:IAO_0000116 "An editor note should explain what were the merged terms and the reason for the merge."@en ; - rdfs:label "terms merged"@en . +### http://nmrML.org/nmrCV#NMR:1000182 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bayesil is a web system that automatically identifies and quantifies metabolites using 1D 1H NMR spectra of ultra-filtered plasma, serum or cerebrospinal fluid. The NMR spectra must be collected in a standardized fashion for Bayesil to perform optimally. Bayesil first performs all spectral processing steps, including Fourier transformation, phasing, solvent filtering, chemical shift referencing, baseline correction and reference line shape convolution automatically. It then deconvolutes the resulting NMR spectrum using a reference spectral library, which here contains the signatures of more than 60 metabolites. This deconvolution process determines both the identity and quantity of the compounds in the biofluid mixture."@en ; + dce:source "Ravanbakhsh S, Liu P, Bjorndahl TC, Mandal R, Grant JR, Wilson M, Eisner R, Sinelnikov I, Hu X, Luchinat C, Greiner R, Wishart DS. (2015) Accurate, Fully-Automated NMR Spectral Profiling for Metabolomics. PLoS ONE 10(5): e0124219." ; + rdfs:label "Bayesil software"@en ; + foaf:homepage "http://bayesil.ca/" . -### http://purl.obolibrary.org/obo/IAO_0000228 -obo:IAO_0000228 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "term imported"@en ; - obo:IAO_0000116 "This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use."@en ; - rdfs:label "term imported"@en . +### http://nmrML.org/nmrCV#NMR:1000183 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "nmrML-Assign is a web server for creating an nmrML file from a FID and a structure. The FID is first automatically processed with Bayesil. The resulting interactive spectrum allows assigning peaks to specific atoms in the structure and the assignments are saved in the nmrML format. For more information about nmrML please visit nmrML.org. nmrML-Assign works with 1H and 13C NMR spectra in Bruker or Agilent/Varian format."@en ; + rdfs:comment "Uses JspectraView Software"@en ; + rdfs:label "nmrML Assign"@en ; + foaf:homepage "http://nmrml.bayesil.ca/"@en . -### http://purl.obolibrary.org/obo/IAO_0000229 -obo:IAO_0000229 rdf:type owl:NamedIndividual , - obo:IAO_0000225 ; - obo:IAO_0000111 "term split"@en ; - obo:IAO_0000116 "This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created."@en ; - rdfs:label "term split"@en . +### http://nmrML.org/nmrCV#NMR:1000184 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "d" ; + rdfs:label "doublet feature"@en . -### http://purl.obolibrary.org/obo/IAO_0000410 -obo:IAO_0000410 rdf:type owl:NamedIndividual , - obo:IAO_0000409 ; - obo:IAO_0000111 "universal"@en ; - obo:IAO_0000116 "Hard to give a definition for. Intuitively a \"natural kind\" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf"@en ; - rdfs:label "universal"@en . +### http://nmrML.org/nmrCV#NMR:1000185 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "t" ; + rdfs:label "triplet feature"@en . -### http://purl.obolibrary.org/obo/IAO_0000420 -obo:IAO_0000420 rdf:type owl:NamedIndividual , - obo:IAO_0000409 ; - obo:IAO_0000111 "defined class"@en ; - obo:IAO_0000115 "A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal"@en ; - obo:IAO_0000116 "\"definitions\", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - rdfs:label "defined class"@en . +### http://nmrML.org/nmrCV#NMR:1000186 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "q" ; + rdfs:label "quatruplet feature"@en . -### http://purl.obolibrary.org/obo/IAO_0000421 -obo:IAO_0000421 rdf:type owl:NamedIndividual , - obo:IAO_0000409 ; - obo:IAO_0000111 "named class expression"@en ; - obo:IAO_0000115 "A named class expression is a logical expression that is given a name. The name can be used in place of the expression."@en ; - obo:IAO_0000116 "named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions"@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - rdfs:label "named class expression"@en . +### http://nmrML.org/nmrCV#NMR:1000188 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "a set of peaks that are highly correlated in a series of samples" ; + dce:coverage "a feature request by Daniel Jacob inserted at IBP hackathon" ; + rdfs:label "cluster of peaks across samples"@en . -### http://purl.obolibrary.org/obo/IAO_0000423 -obo:IAO_0000423 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "to be replaced with external ontology term"@en ; - obo:IAO_0000115 "Terms with this status should eventually replaced with a term from another ontology."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "group:OBI"@en ; - rdfs:label "to be replaced with external ontology term"@en . +### http://nmrML.org/nmrCV#NMR:1000189 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "simulated spectrum"@en . -### http://purl.obolibrary.org/obo/IAO_0000428 -obo:IAO_0000428 rdf:type owl:NamedIndividual , - obo:IAO_0000078 ; - obo:IAO_0000111 "requires discussion"@en ; - obo:IAO_0000115 "A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues."@en ; - obo:IAO_0000117 "Alan Ruttenberg"@en ; - obo:IAO_0000119 "group:OBI"@en ; - rdfs:label "requires discussion"@en . +### http://nmrML.org/nmrCV#NMR:1000190 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "pulse parameter"@en . -### http://purl.obolibrary.org/obo/OBI_0000317 -obo:OBI_0000317 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "Transformation-ML"@en ; - obo:IAO_0000112 "Transformation-ML file describing parameter transformations used in a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "Transformation-ML is a format standard of a digital entity that is conformant with the Transformation-ML standard.(http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://wiki.ficcs.org/ficcs/Transformation-ML?action=AttachFile&do=get&target=Transformation-ML_v1.0.26.pdf" ; - rdfs:label "Transformation-ML"@en . +### http://nmrML.org/nmrCV#NMR:1000191 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL FID format"@en . -### http://purl.obolibrary.org/obo/OBI_0000321 -obo:OBI_0000321 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "ACS"@en ; - obo:IAO_0000112 "d06.acs, ACS1.0 data file of well D06 of plate 2 of part 1 of a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "ACS is a format standard of a digital entity that is conformant with the Analytical Cytometry Standard. (http://www.isac-net.org/content/view/607/150/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.isac-net.org/content/view/607/150/" ; - rdfs:label "ACS"@en . +### http://nmrML.org/nmrCV#NMR:1000192 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "dd" ; + rdfs:label "doublet of doublets feature"@en . -### http://purl.obolibrary.org/obo/OBI_0000322 -obo:OBI_0000322 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "XML"@en ; - obo:IAO_0000112 "RDF/XML file, OWL file, Compensation-ML file, WSDL document, SVG document"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "XML is a format standard of a digital entity that is conformant with the W3C Extensible Markup Language Recommendation.(http://www.w3.org/XML/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.w3.org/XML/" ; - rdfs:label "XML"@en . +### http://nmrML.org/nmrCV#NMR:1000193 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ABX multiplet pattern"@en ; + skos:definition "AMX, ABX and ABC patterns, and various related spin systems are very common in Proton NMR of organic molecules.When two of the protons of an AMX pattern approach each other to form an ABX pattern, the characteristic changes in intensities of a strongly coupled system (leaning) are seen, and, as the size of J approaches the value of νAB more complicated changes arise, so that the pattern can no longer be analyzed correctly by first order methods." ; + foaf:homepage "http://www.chem.wisc.edu/areas/reich/nmr/05-hmr-12-abx.htm" . -### http://purl.obolibrary.org/obo/OBI_0000324 -obo:OBI_0000324 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "RDF"@en ; - obo:IAO_0000112 "A FOAF file, a SKOS file, an OWL file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "RDF is a format standard of a digital entity that is conformant with the W3C Resource Description Framework RDF/XML Syntax specification.(http://www.w3.org/RDF/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.w3.org/RDF/" ; - rdfs:label "RDF"@en . +### http://nmrML.org/nmrCV#NMR:1000194 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "s" ; + rdfs:label "singlet feature"@en . -### http://purl.obolibrary.org/obo/OBI_0000325 -obo:OBI_0000325 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "zip"@en ; - obo:IAO_0000112 "MagicDraw MDZIP archive, Java JAR file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "zip is a format standard of a digital entity that is conformant with the PKWARE .ZIP file format specification (http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.pkware.com/index.php?option=com_content&task=view&id=59&Itemid=103/" ; - rdfs:label "zip"@en . +### http://nmrML.org/nmrCV#NMR:1000195 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "qi" ; + rdfs:label "quintet feature"@en . -### http://purl.obolibrary.org/obo/OBI_0000326 -obo:OBI_0000326 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "tar"@en ; - obo:IAO_0000112 "Example.tar file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "tar is a format standard of a digital entity that is conformant with the tape archive file format as standardized by POSIX.1-1998, POSIX.1-2001, or any other tar format compliant with the GNU tar specification. (http://www.gnu.org/software/tar/manual/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.gnu.org/software/tar/manual/" ; - rdfs:label "tar"@en . +### http://nmrML.org/nmrCV#NMR:1000196 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "dt" ; + rdfs:label "doublet of triplets"@en . -### http://purl.obolibrary.org/obo/OBI_0000327 -obo:OBI_0000327 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "FCS"@en ; - obo:IAO_0000112 "d01.fcs, FCS3 data file of well D06 of plate 2 of part 1 of a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "FCS is a format standard of a digital entity that is conformant with the Flow Cytometry Data File Standard.(http://www.fcspress.com/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.fcspress.com/" ; - rdfs:label "FCS"@en . +### http://nmrML.org/nmrCV#NMR:1000197 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "td" ; + rdfs:label "triplet of douplets"@en . -### http://purl.obolibrary.org/obo/OBI_0000329 -obo:OBI_0000329 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "Compensation-ML"@en ; - obo:IAO_0000112 "compfoo.xml, Compensation-ML file describing compensation used in a GvHD experiment"@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "Compensation-ML is a format standard of a digital entity that is conformant with the Compensation-ML standard. (http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://wiki.ficcs.org/ficcs/Compensation-ML?action=AttachFile&do=get&target=Compensation-ML_v1.0.24.pdf" ; - rdfs:label "Compensation-ML"@en . +### http://nmrML.org/nmrCV#NMR:1000198 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "tt" ; + rdfs:label "triplet of triplets"@en . -### http://purl.obolibrary.org/obo/OBI_0000330 -obo:OBI_0000330 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "Gating-ML"@en ; - obo:IAO_0000112 "foogate.xml, Gating-ML file describing gates used in a GvHD experiment."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "Gating-ML is a format standard of a digital entity that is conformant with the Gating-ML standard. (http://www.flowcyt.org/gating/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.flowcyt.org/gating/" ; - rdfs:label "Gating-ML"@en . +### http://nmrML.org/nmrCV#NMR:1000199 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum by pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0000332 -obo:OBI_0000332 rdf:type owl:NamedIndividual , - obo:IAO_0000098 ; - obo:IAO_0000111 "OWL"@en ; - obo:IAO_0000112 "OBI ontology file, Basic Formal Ontology file, BIRNLex file, BioPAX file."@en ; - obo:IAO_0000114 obo:IAO_0000125 ; - obo:IAO_0000115 "OWL is a format standard of a digital entity that is conformant with the W3C Web Ontology Language specification.(http://www.w3.org/2004/OWL/)"@en ; - obo:IAO_0000117 "person:Jennifer Fostel"@en ; - obo:IAO_0000119 "web-page:http://www.w3.org/2004/OWL/" ; - rdfs:label "OWL"@en . - - -### http://purl.obolibrary.org/obo/OBI_0000462 -obo:OBI_0000462 rdf:type owl:NamedIndividual , - obo:OBI_0000835 , - obo:OBI_0002989 ; - obo:IAO_0000111 "Affymetrix" ; - obo:IAO_0000112 "Affymetrix supplied microarray" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization which supplies technology, tools and protocols for use in high throughput applications" ; - rdfs:label "Affymetrix" . +### http://nmrML.org/nmrCV#NMR:1000200 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum by processing step"@en . -### http://purl.obolibrary.org/obo/OBI_0000752 -obo:OBI_0000752 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Thermo" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Thermo" . +### http://nmrML.org/nmrCV#NMR:1000201 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D spectrum coordinate system descriptor"@en . -### http://purl.obolibrary.org/obo/OBI_0000753 -obo:OBI_0000753 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Waters" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Waters" . +### http://nmrML.org/nmrCV#NMR:1000202 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "y-axis value type"@en ; + rdfs:seeAlso "the subclasses come from the Rubtsov specification" . -### http://purl.obolibrary.org/obo/OBI_0000754 -obo:OBI_0000754 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "BIO-RAD" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "BIO-RAD" . +### http://nmrML.org/nmrCV#NMR:1000203 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "power value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000755 -obo:OBI_0000755 rdf:type owl:NamedIndividual , - obo:OBI_0200042 ; - obo:IAO_0000111 "GenePattern hierarchical clustering" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern hierarchical clustering" . +### http://nmrML.org/nmrCV#NMR:1000204 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "magnitude value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000756 -obo:OBI_0000756 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Ambion" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Ambion" . +### http://nmrML.org/nmrCV#NMR:1000205 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "real value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000757 -obo:OBI_0000757 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Helicos" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Helicos" . +### http://nmrML.org/nmrCV#NMR:1000206 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "imaginary value type"@en . -### http://purl.obolibrary.org/obo/OBI_0000758 -obo:OBI_0000758 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Roche" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Roche" . +### http://nmrML.org/nmrCV#NMR:1000207 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex value types"@en . -### http://purl.obolibrary.org/obo/OBI_0000759 -obo:OBI_0000759 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Illumina" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Illumina" . +### http://nmrML.org/nmrCV#NMR:1000208 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "spectral projection axis"@en . -### http://purl.obolibrary.org/obo/OBI_0000760 -obo:OBI_0000760 rdf:type owl:NamedIndividual , - obo:OBI_0200051 ; - obo:IAO_0000111 "GenePattern PCA" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "GenePattern PCA" . +### http://nmrML.org/nmrCV#NMR:1000209 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "f1 axis"@en . -### http://purl.obolibrary.org/obo/OBI_0000761 -obo:OBI_0000761 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000775 ; - obo:IAO_0000111 "GenePattern module SVM" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module SVM is a GenePattern software module which is used to run a support vector machine data transformation." ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - rdfs:label "GenePattern module SVM" . +### http://nmrML.org/nmrCV#NMR:1000210 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "f2 axis"@en . -### http://purl.obolibrary.org/obo/OBI_0000762 -obo:OBI_0000762 rdf:type owl:NamedIndividual , - obo:OBI_0000727 ; - obo:IAO_0000111 "GenePattern k-nearest neighbors" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern k-nearest neighbors" . +### http://nmrML.org/nmrCV#NMR:1000211 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR Format converter"@en . -### http://purl.obolibrary.org/obo/OBI_0000763 -obo:OBI_0000763 rdf:type owl:NamedIndividual , - obo:OBI_0200033 ; - obo:IAO_0000111 "GenePattern LOOCV" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "GenePattern LOOCV" . +### http://nmrML.org/nmrCV#NMR:1000212 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "BML-NMR identifier"@en . -### http://purl.obolibrary.org/obo/OBI_0000764 -obo:OBI_0000764 rdf:type owl:NamedIndividual , - obo:OBI_0200041 ; - obo:IAO_0000111 "GenePattern k-means clustering" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern k-means clustering" . +### http://nmrML.org/nmrCV#NMR:1000214 + rdf:type owl:Class ; + rdfs:comment "DEPRECATED will be further specified via a concentration value" , + "Not considered relevant anymore." ; + rdfs:label "DEPRECATED creatinine"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/OBI_0000765 -obo:OBI_0000765 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Agilent" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Agilent" . +### http://nmrML.org/nmrCV#NMR:1000220 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0000766 -obo:OBI_0000766 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000764 ; - obo:IAO_0000111 "GenePattern module KMeansClustering" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "GenePattern module KMeansClustering is a GenePattern software module which is used to perform a k Means clustering data transformation." ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone" ; - rdfs:label "GenePattern module KMeansClustering" . +### http://nmrML.org/nmrCV#NMR:1000221 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "used to be labeled 'NMR spectrum simulation'" ; + rdfs:label "data simulation"@en . -### http://purl.obolibrary.org/obo/OBI_0000767 -obo:OBI_0000767 rdf:type owl:NamedIndividual , - obo:OBI_0000749 ; - obo:IAO_0000111 "GenePattern CART" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern CART" . +### http://nmrML.org/nmrCV#NMR:1000222 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "DNP NMR" , + "dynamic nuclear polarization enhanced NMR system" ; + rdfs:label "dynamic nuclear polarization NMR instrument"@en . -### http://purl.obolibrary.org/obo/OBI_0000768 -obo:OBI_0000768 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000763 , - obo:OBI_0000767 ; - obo:IAO_0000111 "GenePattern module CARTXValidation" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module CARTXValidation is a GenePattern software module which uses a CART decision tree induction with a leave one out cross validation data transformations." ; - rdfs:label "GenePattern module CARTXValidation" . +### http://nmrML.org/nmrCV#NMR:1000223 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chemical shift is the resonance frequency of a nucleus related to a chemical shift standard. in ppm along x-axis" ; + dce:source "http://en.wikipedia.org/wiki/Chemical_shift" ; + rdfs:label "chemical shift"@en . -### http://purl.obolibrary.org/obo/OBI_0000769 -obo:OBI_0000769 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Li-Cor" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Li-Cor" . +### http://nmrML.org/nmrCV#NMR:1000224 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "an information object that describes the strength of the NMR signal" ; + rdfs:label "nmr signal intensity"@en . -### http://purl.obolibrary.org/obo/OBI_0000770 -obo:OBI_0000770 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Bruker Corporation" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Bruker Corporation" . +### http://nmrML.org/nmrCV#NMR:1000225 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "baseline correction using polynomial function"@en . -### http://purl.obolibrary.org/obo/OBI_0000771 -obo:OBI_0000771 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000111 "GenePattern module KNNXValidation" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "GenePattern module KNNXValidation is a GenePattern software module which uses a k-nearest neighbours clustering with a leave one out cross validation data transformations." ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone" ; - rdfs:label "GenePattern module KNNXValidation" . +### http://nmrML.org/nmrCV#NMR:1000226 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "first transient of the tnnoesy-presaturation pulse sequence"@en . -### http://purl.obolibrary.org/obo/OBI_0000772 -obo:OBI_0000772 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000778 ; - obo:IAO_0000111 "GenePattern module PeakMatch" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "GenePattern module PeakMatch" . +### http://nmrML.org/nmrCV#NMR:1000227 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian acquisition parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0000773 -obo:OBI_0000773 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000762 ; - obo:IAO_0000111 "GenePattern module KNN" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module KNN is a GenePattern software module which perform a k-nearest neighbors data transformation." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern module KNN" . +### http://nmrML.org/nmrCV#NMR:1000228 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "procpar"@en . -### http://purl.obolibrary.org/obo/OBI_0000774 -obo:OBI_0000774 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000755 ; - obo:IAO_0000111 "GenePattern module HierarchicalClustering" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "GenePattern module HierarchicalClustering is a GenePattern software module which is used to perform a hierarchical clustering data transformation." ; - obo:IAO_0000117 "James Malone" , - "PERSON: James Malone" ; - rdfs:label "GenePattern module HierarchicalClustering" . +### http://nmrML.org/nmrCV#NMR:1000229 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "acqus"@en . -### http://purl.obolibrary.org/obo/OBI_0000775 -obo:OBI_0000775 rdf:type owl:NamedIndividual , - obo:OBI_0000700 ; - obo:IAO_0000111 "GenePattern SVM" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern SVM" . +### http://nmrML.org/nmrCV#NMR:1000230 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker acquisition parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0000776 -obo:OBI_0000776 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Applied Biosystems" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Applied Biosystems" . +### http://nmrML.org/nmrCV#NMR:1000231 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000231" ; + rdfs:label "peak feature" . -### http://purl.obolibrary.org/obo/OBI_0000777 -obo:OBI_0000777 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000760 ; - obo:IAO_0000111 "GenePattern module PCA" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "GenePattern module PCA is a GenePattern software module which is used to perform a principal components analysis dimensionality reduction data transformation." ; - obo:IAO_0000117 "James Malone" ; - obo:IAO_0000119 "PERSON: James Malone" ; - rdfs:label "GenePattern module PCA" . +### http://nmrML.org/nmrCV#NMR:1000232 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "global"@en . -### http://purl.obolibrary.org/obo/OBI_0000778 -obo:OBI_0000778 rdf:type owl:NamedIndividual , - obo:OBI_0000726 ; - obo:IAO_0000111 "GenePattern peak matching" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "James Malone" , - "Ryan Brinkman" ; - rdfs:label "GenePattern peak matching" . +### http://nmrML.org/nmrCV#NMR:1000233 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Varian autosampler"@en . -### http://purl.obolibrary.org/obo/OBI_0000779 -obo:OBI_0000779 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Bruker Daltonics" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Philippe Rocca-Serra" ; - rdfs:label "Bruker Daltonics" . +### http://nmrML.org/nmrCV#NMR:1000234 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian SMS 50"@en . -### http://purl.obolibrary.org/obo/OBI_0000780 -obo:OBI_0000780 rdf:type owl:NamedIndividual , - obo:OBI_0200190 ; - obo:IAO_0000111 "GenePattern HeatMapViewer data visualization" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "The GenePattern process of generating Heat Maps from clustered data." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern HeatMapViewer data visualization" . +### http://nmrML.org/nmrCV#NMR:1000235 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Varian probe"@en . -### http://purl.obolibrary.org/obo/OBI_0000781 -obo:OBI_0000781 rdf:type owl:NamedIndividual , - obo:OBI_0200190 ; - obo:IAO_0000111 "GenePattern HierarchicalClusteringViewer data visualization" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "The GenePattern process of generating hierarchical clustering visualization from clustered data." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern HierarchicalClusteringViewer data visualization" . +### http://nmrML.org/nmrCV#NMR:1000236 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "5mm HCN probe"@en . -### http://purl.obolibrary.org/obo/OBI_0000782 -obo:OBI_0000782 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000780 ; - obo:IAO_0000111 "GenePattern module HeatMapViewer" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A GenePattern software module which is used to generate a heatmap view of data." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern module HeatMapViewer" . +### http://nmrML.org/nmrCV#NMR:1000237 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian liquid cold probe"@en . -### http://purl.obolibrary.org/obo/OBI_0000783 -obo:OBI_0000783 rdf:type owl:NamedIndividual , - obo:OBI_0000713 ; - obo:IAO_0000136 obo:OBI_0000781 ; - obo:IAO_0000111 "GenePattern module HierarchicalClusteringViewer" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "A GenePattern software module which is used to generate a view of data that has been hierarchically clustered." ; - obo:IAO_0000117 "James Malone" ; - rdfs:label "GenePattern module HierarchicalClusteringViewer" . +### http://nmrML.org/nmrCV#NMR:1000238 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "e.g as in HMDB" ; + rdfs:label "reference compound NMR spectrum"@en . -### http://purl.obolibrary.org/obo/OBI_0000829 -obo:OBI_0000829 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Sysmex Corporation, Kobe, Japan" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000119 "WEB:http://www.sysmex.com/@2009/08/06" ; - rdfs:label "Sysmex Corporation, Kobe, Japan" . +### http://nmrML.org/nmrCV#NMR:1000239 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Mestrelab software"@en . -### http://purl.obolibrary.org/obo/OBI_0000901 -obo:OBI_0000901 rdf:type owl:NamedIndividual , - obo:OBI_0000450 ; - obo:IAO_0000111 "U.S. Food and Drug Administration" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000118 "FDA" ; - rdfs:label "U.S. Food and Drug Administration" . +### http://nmrML.org/nmrCV#NMR:1000240 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ACD spectrus software"@en . -### http://purl.obolibrary.org/obo/OBI_0000958 -obo:OBI_0000958 rdf:type owl:NamedIndividual , - obo:OBI_0000963 ; - obo:IAO_0000111 "right handed" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "right handed" . +### http://nmrML.org/nmrCV#NMR:1000241 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Mat NMR 3 software"@en . -### http://purl.obolibrary.org/obo/OBI_0000979 -obo:OBI_0000979 rdf:type owl:NamedIndividual , - obo:OBI_0000963 ; - obo:IAO_0000111 "ambidexterous" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "ambidexterous" . +### http://nmrML.org/nmrCV#NMR:1000242 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMRLab software"@en . -### http://purl.obolibrary.org/obo/OBI_0000998 -obo:OBI_0000998 rdf:type owl:NamedIndividual , - obo:OBI_0000963 ; - obo:IAO_0000111 "left handed" ; - obo:IAO_0000114 obo:IAO_0000123 ; - rdfs:label "left handed" . +### http://nmrML.org/nmrCV#NMR:1000243 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Spinworks NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0001004 -obo:OBI_0001004 rdf:type owl:NamedIndividual , - obo:OBI_0001000 ; - obo:IAO_0000111 "Edingburgh handedness inventory" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "The Edinburgh Handedness Inventory is a set of questions used to assess the dominance of a person's right or left hand in everyday activities."@en ; - obo:IAO_0000117 "PERSON:Alan Ruttenberg" , - "PERSON:Jessica Turner" ; - obo:IAO_0000119 "PMID:5146491#Oldfield, R.C. (1971). The assessment and analysis of handedness: The Edinburgh inventory. Neuropsychologia, 9, 97-113" , - "WEB:http://www.cse.yorku.ca/course_archive/2006-07/W/4441/EdinburghInventory.html" ; - rdfs:label "Edingburgh handedness inventory" . - - -### http://purl.obolibrary.org/obo/OBI_0001213 -obo:OBI_0001213 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "eBioscience" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.ebioscience.com/@2011/04/11" ; - rdfs:label "eBioscience" . +### http://nmrML.org/nmrCV#NMR:1000244 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR software vendor"@en . -### http://purl.obolibrary.org/obo/OBI_0001224 -obo:OBI_0001224 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Cytopeia" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.cytopeia.com/@2011/04/11" ; - rdfs:label "Cytopeia" . +### http://nmrML.org/nmrCV#NMR:1000245 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Spinworks"@en . -### http://purl.obolibrary.org/obo/OBI_0001287 -obo:OBI_0001287 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Exalpha Biological" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.exalpha.com/@2011/04/11" ; - rdfs:label "Exalpha Biological" . +### http://nmrML.org/nmrCV#NMR:1000246 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "iNMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0001312 -obo:OBI_0001312 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Apogee Flow Systems" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.apogeeflow.com/@2011/04/11" ; - rdfs:label "Apogee Flow Systems" . +### http://nmrML.org/nmrCV#NMR:1000247 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR pipe"@en . -### http://purl.obolibrary.org/obo/OBI_0001320 -obo:OBI_0001320 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Exbio Antibodies" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.exbio.cz/@2011/04/11" ; - rdfs:label "Exbio Antibodies" . +### http://nmrML.org/nmrCV#NMR:1000248 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "cule NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0001321 -obo:OBI_0001321 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Becton Dickinson (BD Biosciences)" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.bdbiosciences.com/@2011/04/11" ; - rdfs:label "Becton Dickinson (BD Biosciences)" . +### http://nmrML.org/nmrCV#NMR:1000249 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Matlab"@en ; + rdfs:comment "By Batman/ Tim Ebbels Group"@en ; + rdfs:label "Matlab to nmrML converter"@en . -### http://purl.obolibrary.org/obo/OBI_0001338 -obo:OBI_0001338 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Dako Cytomation" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.dakousa.com/@2011/04/11" ; - rdfs:label "Dako Cytomation" . +### http://nmrML.org/nmrCV#NMR:1000250 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker processing parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0001340 -obo:OBI_0001340 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Millipore" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.guavatechnologies.com/@2011/04/11" ; - rdfs:label "Millipore" . +### http://nmrML.org/nmrCV#NMR:1000251 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "procs"@en . -### http://purl.obolibrary.org/obo/OBI_0001347 -obo:OBI_0001347 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Antigenix" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.antigenix.com/@2011/04/11" ; - rdfs:label "Antigenix" . +### http://nmrML.org/nmrCV#NMR:1000252 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian processing parameter file"@en . -### http://purl.obolibrary.org/obo/OBI_0001355 -obo:OBI_0001355 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Partec" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.partec.de/@2011/04/11" ; - rdfs:label "Partec" . +### http://nmrML.org/nmrCV#NMR:1000253 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://mmcd.nmrfam.wisc.edu/" ; + rdfs:comment "PRS: rename 'identifyer' to 'identifier'"@en ; + rdfs:label "Madison Metabolomics Consortium Database MMCD identifier"@en . -### http://purl.obolibrary.org/obo/OBI_0001372 -obo:OBI_0001372 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Beckman Coulter" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.beckmancoulter.com/@2011/04/11" ; - rdfs:label "Beckman Coulter" . +### http://nmrML.org/nmrCV#NMR:1000254 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://bigg.ucsd.edu/" ; + rdfs:label "Bigg metabolomics database identifier"@en . -### http://purl.obolibrary.org/obo/OBI_0001375 -obo:OBI_0001375 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Advanced Instruments Inc. (AI Companies)" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.aicompanies.com/@2011/04/11" ; - rdfs:label "Advanced Instruments Inc. (AI Companies)" . +### http://nmrML.org/nmrCV#NMR:1000255 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "Lorentz-to-Gauss apodization" ; + rdfs:comment """Functional form: + gm(x_i) = exp(e - g*g) + Where: e = pi*i*g1 + g = 0.6*pi*g2*(g3*(size-1)-i) + Parameters: + * data Array of spectral data. + * g1 Inverse exponential width. + * g2 Gaussian broaden width. + * g3 Location of gauss maximum. + * inv Set True for inverse apodization.""" ; + rdfs:label "Lorentz Gaussian window function"@en . -### http://purl.obolibrary.org/obo/OBI_0001424 -obo:OBI_0001424 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Miltenyi Biotec" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.miltenyibiotec.com/@2011/04/11" ; - rdfs:label "Miltenyi Biotec" . +### http://nmrML.org/nmrCV#NMR:1000256 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TRAF" , + "Transform of Reverse Added FIDs" ; + rdfs:label "traf window function"@en ; + skos:definition "A Window function described by Daniel Traficante in their original paper." . -### http://purl.obolibrary.org/obo/OBI_0001428 -obo:OBI_0001428 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "AES Chemunex" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.aeschemunex.com/@2011/04/11" ; - rdfs:label "AES Chemunex" . +### http://nmrML.org/nmrCV#NMR:1000257 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TRAFS" ; + rdfs:label "trafs window function"@en . -### http://purl.obolibrary.org/obo/OBI_0001431 -obo:OBI_0001431 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Bentley Instruments" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://bentleyinstruments.com/@2011/04/11" ; - rdfs:label "Bentley Instruments" . +### http://nmrML.org/nmrCV#NMR:1000258 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak fitting"@en . -### http://purl.obolibrary.org/obo/OBI_0001434 -obo:OBI_0001434 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Invitrogen" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.invitrogen.com/@2011/04/11" ; - rdfs:label "Invitrogen" . +### http://nmrML.org/nmrCV#NMR:1000259 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "peak assignment"@en . -### http://purl.obolibrary.org/obo/OBI_0001443 -obo:OBI_0001443 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Luminex" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.luminexcorp.com/@2011/04/11" ; - rdfs:label "Luminex" . +### http://nmrML.org/nmrCV#NMR:1000260 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "deconvolution"@en . -### http://purl.obolibrary.org/obo/OBI_0001458 -obo:OBI_0001458 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "CytoBuoy" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000117 "Karin Breuer" ; - obo:IAO_0000119 "WEB:http://www.cytobuoy.com/@2011/04/11" ; - rdfs:label "CytoBuoy" . +### http://nmrML.org/nmrCV#NMR:1000261 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A method of sorting multiple spectra by position of chemical shift peaks. This method is used in Batman and improves the fit for shifted/overlapped peaks." ; + rdfs:label "chemical shift sorting"@en . -### http://purl.obolibrary.org/obo/OBI_0001855 -obo:OBI_0001855 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Nimblegen" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization that focuses on manufacturing target enrichment probe pools for DNA sequencing." ; - obo:IAO_0000117 "Person: Jie Zheng" ; - rdfs:label "Nimblegen" . +### http://nmrML.org/nmrCV#NMR:1000262 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "fid file"@en . -### http://purl.obolibrary.org/obo/OBI_0001856 -obo:OBI_0001856 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Pacific Biosciences" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization that supplies tools for studying the synthesis and regulation of DNA, RNA and protein. It developed a powerful technology platform called single molecule real-time (SMRT) technology which enables real-time analysis of biomolecules with single molecule resolution." ; - obo:IAO_0000117 "Person: Jie Zheng" ; - rdfs:label "Pacific Biosciences" . +### http://nmrML.org/nmrCV#NMR:1000263 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian FID file"@en . -### http://purl.obolibrary.org/obo/OBI_0001860 -obo:OBI_0001860 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "NanoString Technologies" ; - obo:IAO_0000114 obo:IAO_0000123 ; - obo:IAO_0000115 "An organization that supplies life science tools for translational research and molecular diagnostics based on a novel digital molecular barcoding technology. The NanoString platform can provide simple, multiplexed digital profiling of single molecules." ; - rdfs:label "NanoString Technologies" . +### http://nmrML.org/nmrCV#NMR:1000264 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker FID file"@en . -### http://purl.obolibrary.org/obo/OBI_0002193 -obo:OBI_0002193 rdf:type owl:NamedIndividual , - obo:OBI_0000245 ; - obo:IAO_0000111 "Thermo Fisher Scientific" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An organization that is an American multinational, biotechnology product development company, created in 2006 by the merger of Thermo Electron and Fisher Scientific." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific" ; - rdfs:label "Thermo Fisher Scientific" . +### http://nmrML.org/nmrCV#NMR:1000265 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Jacob D. et al (2013) Analytical and Bioanalytical Chemistry, 405, 5049-5061" ; + rdfs:comment "Taking advantage of the concentration variability of each compound in a series of samples, buckets are linked together into clusters based on significant correlations.This is done i.g. in ERVA-based bucketing" ; + rdfs:label "ERVA-based bucketing"@en . -### http://purl.obolibrary.org/obo/OBI_0002206 -obo:OBI_0002206 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G1: Well differentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells and the organization of the tumor tissue appear close to normal." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G1" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G1: Well differentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002207 -obo:OBI_0002207 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G2: Moderately differentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells are moderately differentiated and reflect an intermediate grade." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G2" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G2: Moderately differentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002208 -obo:OBI_0002208 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G3: Poorly differentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells are poorly differentiated and do not look like normal cells and tissue." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G3" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G3: Poorly differentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002209 -obo:OBI_0002209 rdf:type owl:NamedIndividual , - obo:OBI_0002205 ; - obo:IAO_0000111 "G4: Undifferentiated" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to AJCC 7th edition indicating that the tumor cells are undifferentiated and do not look like normal cells and tissue." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G4" ; - obo:IAO_0000119 "https://www.cancer.gov/about-cancer/diagnosis-staging/prognosis/tumor-grade-fact-sheet" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G4: Undifferentiated" . - - -### http://purl.obolibrary.org/obo/OBI_0002211 -obo:OBI_0002211 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G1 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are round, uniform, approximately 10um and that nucleoli are inconspicuous or absent." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 1" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G1 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002212 -obo:OBI_0002212 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G2 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are slightly irregular, approximately 15um and nucleoli are evident." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 2" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G2 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002213 -obo:OBI_0002213 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G3 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei are very irregular, approximately 20um and nucleoli large and prominent." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 3" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G3 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002214 -obo:OBI_0002214 rdf:type owl:NamedIndividual , - obo:OBI_0002210 ; - obo:IAO_0000111 "G4 (Fuhrman)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade according to the Fuhrman Nuclear Grading System indicating that nuclei arei bizarre and multilobulated, 20um or greater and nucleoli are prominent and chromatin clumped." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Grade 4" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G4 (Fuhrman)" . - - -### http://purl.obolibrary.org/obo/OBI_0002217 -obo:OBI_0002217 rdf:type owl:NamedIndividual , - obo:OBI_0002216 ; - obo:IAO_0000111 "Low grade ovarian tumor" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is low grade." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Low grade" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Low grade ovarian tumor" . - - -### http://purl.obolibrary.org/obo/OBI_0002218 -obo:OBI_0002218 rdf:type owl:NamedIndividual , - obo:OBI_0002216 ; - obo:IAO_0000111 "High grade ovarian tumor" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to a two-tier grading system indicating that the tumor is high grade." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "High grade" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "High grade ovarian tumor" . - - -### http://purl.obolibrary.org/obo/OBI_0002220 -obo:OBI_0002220 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G1 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is well differentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G1" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G1 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002221 -obo:OBI_0002221 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G2 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is moderately differentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G2" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G2 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002222 -obo:OBI_0002222 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G3 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is poorly differentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G3" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G3 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002223 -obo:OBI_0002223 rdf:type owl:NamedIndividual , - obo:OBI_0002219 ; - obo:IAO_0000111 "G4 (WHO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A histologic grade for ovarian tumor according to the World Health Organization indicating that the tumor is undifferentiated." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "G4" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "G4 (WHO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002225 -obo:OBI_0002225 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT0 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000266 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "cluster of peaks"@en . -### http://purl.obolibrary.org/obo/OBI_0002226 -obo:OBI_0002226 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pTis (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating carcinoma in situ (intraepithelial or invasion of lamina propria)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pTis (colon)" . +### http://nmrML.org/nmrCV#NMR:1000267 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Match NMR tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002227 -obo:OBI_0002227 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT1 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades submucosa." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000268 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "shaped tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002228 -obo:OBI_0002228 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT2 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades muscularis propria." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000269 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Shigemi tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002229 -obo:OBI_0002229 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT3 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor invades subserosa or into non-peritionealized pericolic or perirectal tissues." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (colon)" . +### http://nmrML.org/nmrCV#NMR:1000270 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "standard tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002230 -obo:OBI_0002230 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT4a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor perforates visceral peritoneum." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4a (colon)" . +### http://nmrML.org/nmrCV#NMR:1000271 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Bruker tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002231 -obo:OBI_0002231 rdf:type owl:NamedIndividual , - obo:OBI_0002224 ; - obo:IAO_0000111 "pT4b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for colon and rectum according to AJCC 7th edition indicating that the tumor directly invades other organs or structures." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4b (colon)" . +### http://nmrML.org/nmrCV#NMR:1000272 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "JEOL magnet"@en ; + foaf:homepage "http://www.jeolusa.com/PRODUCTS/Nuclear-Magnetic-Resonance/Magnets" . -### http://purl.obolibrary.org/obo/OBI_0002233 -obo:OBI_0002233 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT0 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000273 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL ECS magnet"@en . -### http://purl.obolibrary.org/obo/OBI_0002234 -obo:OBI_0002234 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pTis (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating carcinoma in situ." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pTis (lung)" . +### http://nmrML.org/nmrCV#NMR:1000274 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL ECA magnet"@en . -### http://purl.obolibrary.org/obo/OBI_0002235 -obo:OBI_0002235 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 3 cm or less in greatest dimension, surrounded by lung or visceral pleura without bronchoscopic evidence of invasion more proximal than the lobar bronchus (i.e., not in the main bronchus)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000275 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL ECX magnet"@en . -### http://purl.obolibrary.org/obo/OBI_0002236 -obo:OBI_0002236 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT1a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is 2 cm or less in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1a (lung)" . +### http://nmrML.org/nmrCV#NMR:1000276 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian NMR software"@en . -### http://purl.obolibrary.org/obo/OBI_0002237 -obo:OBI_0002237 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT1b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 2 cm but not more than 3 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1b (lung)" . +### http://nmrML.org/nmrCV#NMR:1000277 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "VnmrJ software"@en . -### http://purl.obolibrary.org/obo/OBI_0002238 -obo:OBI_0002238 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT2 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 7 cm or the tumor has any of the following features: involves main bronchus, 2 cm or more distal to the carina, invades visceral pleura, associated with atelectasis or obstructive pneumonitis that extends to the hilar region but does not involve the entire lung." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000278 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Wilmad tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002239 -obo:OBI_0002239 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT2a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 3 cm but not more than 5 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2a (lung)" . +### http://nmrML.org/nmrCV#NMR:1000283 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "4mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002240 -obo:OBI_0002240 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT2b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 5 cm but not more than 7 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2b (lung)" . +### http://nmrML.org/nmrCV#NMR:1000284 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2.5mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002241 -obo:OBI_0002241 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT3 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor is more than 7 cm or one that directly invades any of: parietal pleura, chest wall (including superior sulcus tumors), diaphragm, phrenic nerve, mediastinal pleura, parietal pericardiu or the tumor is in the main bronchus less than 2 cm distal to the carina but without involvement of the carina or there is associated atelectasis or obstructive pneumonitis of the entire lung or there is separate tumor nodule(s) in the same lobe as the primary." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000285 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002242 -obo:OBI_0002242 rdf:type owl:NamedIndividual , - obo:OBI_0002232 ; - obo:IAO_0000111 "pT4 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for lung according to AJCC 7th edition indicating that the tumor of any size that invades any of the following: mediastinum, heart, great vessels, trachea, recurrent laryngeal nerve, esophagus, vertebral body, carina or there is separate tumor nodule(s) in a different ipsilateral lobe to that of the primary." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4 (lung)" . +### http://nmrML.org/nmrCV#NMR:1000286 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "5mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002244 -obo:OBI_0002244 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT0 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1000287 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002245 -obo:OBI_0002245 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT1 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 7 cm or less in greatest dimension and limited to the kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1000288 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1.7mm Match tube"@en . -### http://purl.obolibrary.org/obo/OBI_0002246 -obo:OBI_0002246 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT1a (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is 4 cm or less." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1a (kidney)" . +### http://nmrML.org/nmrCV#NMR:1000289 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2mm Match tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000290 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "4.25mm Match tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000291 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000292 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "5mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000293 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000294 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1.7mm standard tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000295 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Wilmad economy tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000296 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Wilmad precision tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000297 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Norell tube"@en . + + +### http://nmrML.org/nmrCV#NMR:1000298 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL FID file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000299 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R"@en ; + rdfs:comment "R statistics to nmrML. Developed by Steffen Neumann, IPB-Halle.de"@en ; + rdfs:label "nmRIO"@en . + + +### http://nmrML.org/nmrCV#NMR:1000300 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\R\\rNMR-IO"@en ; + rdfs:label "rNMR-IO"@en . + + +### http://nmrML.org/nmrCV#NMR:1000301 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 """Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. +As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. + +The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. + +The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step."""@en ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\Java\\converter"@en ; + rdfs:comment "Developed by Daniel Jacob at INRA Bordeaux. The recommended converter for Bruker and Varian/Agilent vendor format conversion."@en ; + rdfs:label "Vendor2nmrML_Java"@en . + + +### http://nmrML.org/nmrCV#NMR:1000302 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + oboInOwl:hasExactSynonym "Agilent magnet" ; + rdfs:label "Varian magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000303 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "premium compact narrow bore magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000304 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "premium shielded narrow bore magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000305 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "premium shielded wide bore magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000306 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "modified gaussian apodization" ; + rdfs:comment """Functional form: + gmb(x_i) = exp(-a*i - b*i*i) + Parameters: + * data Array of spectral data. + * a Exponential term. + * b Gaussian term. + * inv Set True for inverse apodization.""" ; + rdfs:label "modified Gaussian window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000307 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "exponentially damped J-modulation apodization" ; + rdfs:comment """Functional form: + jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) + Parameters: + * data Array of spectral data. + * e Exponential term. + * off Start of modulation in fraction of pi radians. + * end End of modulation in fraction of pi radians. + * inv Set True for inverse apodization""" ; + rdfs:label "exponentially damped J-modulation window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000308 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "shifted sine-bell apodization" ; + rdfs:comment """Functional form: + sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow + Parameters: + * data Array of spectral data. + * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) + * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) + * pow Power of Sine-Bell + * inv Set True for inverse apodization.""" ; + rdfs:label "shifted sine bell window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000309 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "triangle apodization" ; + rdfs:comment """Functional form: + 0:loc linear increase/decrease from lHi to 1.0 + loc: linear increase/decrease from 1.0 to rHi + + Parameters: + * data Array of spectral data. + * loc Location of apex, \"auto\" sets to middle. + * lHi Left side starting height. + * rHi Right side starting height. + * inv Set True for inverse apodization.""" ; + rdfs:label "triangle window function"@en . + + +### http://nmrML.org/nmrCV#NMR:1000310 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The acquisition log file is a created during an acquisition and could useful for debugging an acquisition that has gone awry." ; + rdfs:label "acquisition log file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000311 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Parser_and_Converters\\python"@en ; + rdfs:comment "A Python based vendor to nmrML converter developed by MIchael Wilson at TMIC Edmonton."@en ; + rdfs:label "PynmrML"@en . + + +### http://nmrML.org/nmrCV#NMR:1000312 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A web server designed to permit comprehensive metabolomic data analysis, visualization and interpretation. It supports a wide range of complex statistical calculations and high quality graphical rendering functions that require significant computational resources."@en ; + rdfs:comment " Jianguo Xia, Igor V. Sinelnikov, Beomsoo Han and David S. Wishart, MetaboAnalyst 3.0—making metabolomics more meaningful, Nucl. Acids Res. (1 July 2015) 43 (W1): W251-W257. doi: 10.1093/nar/gkv380 "@en ; + rdfs:label "MetaboAnalyst software"@en ; + foaf:homepage "www.metaboanalyst.ca"@en . + + +### http://nmrML.org/nmrCV#NMR:1000313 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "acqu2s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000314 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "acqu3s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000315 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "proc2s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000316 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "proc3s"@en . + + +### http://nmrML.org/nmrCV#NMR:1000317 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000318 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker NMR spectrum file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000319 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "1R file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000320 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "title file"@en . + + +### http://nmrML.org/nmrCV#NMR:1000321 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A new program package, XEASY, was written for interactive computer support of the analysis of NMR spectra for three-dimensional structure determination of biological macromolecules. XEASY was developed for work with 2D, 3D and 4D NMR data sets. It includes all the functions performed by the precursor program EASY, which was designed for the analysis of 2D NMR spectra, i.e., peak picking and support of sequence-specific resonance assignments, cross-peak assignments, cross-peak integration and rate constant determination for dynamic processes."@en ; + dce:source "Christian Bartels, Tai-he Xia, Martin Billeter, Peter Güntert, Kurt Wüthrich, The program XEASY for computer-supported NMR spectral analysis of biological macromolecules, J Biomol NMR (1995) 6: 1. doi:10.1007/BF00417486"@en ; + rdfs:label "XEASY software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000322 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR spectrum vizualisation software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000323 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "Used in NMR Assign tool for Baysil"@en ; + rdfs:label "JspectraView software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000324 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "cryoprobe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000325 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "inverse detection NMR probe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000326 + rdf:type owl:Class ; + rdfs:subClassOf , + , + , + ; + rdfs:label "5mm inverse detection cryoprobe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000327 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "Git: nmrML\\tools\\Visualizers\\PMB_NMRviewer"@en ; + rdfs:comment "Developed by Daniel Jacob, INRA Bordeaux"@en ; + rdfs:label "NMRViewer software"@en ; + skos:example "http://services.cbib.u-bordeaux2.fr/SPECNMR/examples"@en . + + +### http://nmrML.org/nmrCV#NMR:1000328 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + rdfs:label "material processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000329 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AB multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000330 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_197449 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:CHEBI_23367 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_197449 + ] ; + obo:IAO_0000111 "NMR solvent"@en ; + obo:IAO_0000115 "A molecular entity that is used as a solvent in nuclear magnetic resonance (NMR) spectroscopy"@en ; + rdfs:label "NMR solvent (molecular entity)"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget obo:CHEBI_23367 ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty rdfs:label ; + owl:annotatedTarget "NMR solvent (molecular entity)"@en ; + skos:editorialNote "We needed to add material entity in the label to avoid clashes with the similary labeled role class in CHEBI."@en + ] . + + +### http://nmrML.org/nmrCV#NMR:1000331 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + rdfs:comment "Use Chebi entities here." ; + rdfs:label "NMR buffer"@en . + + +### http://nmrML.org/nmrCV#NMR:1000332 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "presat water suppression"@en . + + +### http://nmrML.org/nmrCV#NMR:1000333 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VNMRS 600"@en . + + +### http://nmrML.org/nmrCV#NMR:1000334 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data content encoding"@en . + + +### http://nmrML.org/nmrCV#NMR:1000335 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data compression scheme"@en . + + +### http://nmrML.org/nmrCV#NMR:1000336 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "byte format"@en . + + +### http://nmrML.org/nmrCV#NMR:1000337 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "zlib"@en . + + +### http://nmrML.org/nmrCV#NMR:1000338 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex64"@en ; + skos:definition "This byte format uses a consecutive array of two 32bit float numbers to represent the real and imaginary part of the complex values." . + + +### http://nmrML.org/nmrCV#NMR:1000339 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex128"@en ; + skos:definition "This byte format uses a consecutive array of two 64bit double precision values to represent the real and imaginary part of the complex values." . + + +### http://nmrML.org/nmrCV#NMR:1000341 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "binary data compression type"@en . + + +### http://nmrML.org/nmrCV#NMR:1000342 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AB2 multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000343 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "data encoding parameter"@en . + + +### http://nmrML.org/nmrCV#NMR:1000344 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "uncompressed data"@en . + + +### http://nmrML.org/nmrCV#NMR:1000345 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "DSPFVS - DSP (Digital signal processing) firmware version corresponds to the version of the digital filter, a hardware component used by the spectrometer" ; + oboInOwl:hasExactSynonym "DSPFVS" ; + rdfs:label "digital signal processing firmware version"@en . + + +### http://nmrML.org/nmrCV#NMR:1000346 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "DECIM - decimation factor is a (bruker) acquisition parameter that captures the number of raw analog points that are averaged in order to obtain a digital signal recorded in the fid." ; + oboInOwl:hasExactSynonym "DECIM" ; + rdfs:label "decimation factor"@en . + + +### http://nmrML.org/nmrCV#NMR:1000347 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "GRPDLY - is the time delay (in number of points?) between acquiring the analog signal and producing the digital signal (i.e. \"The group delay is the time necessary for the digital filter function to “walk into” the raw FID and start generating significant intensity.\")" ; + oboInOwl:hasExactSynonym "GRPDLY" ; + rdfs:label "group time delay"@en . + + +### http://nmrML.org/nmrCV#NMR:1000348 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR sampling strategy"@en ; + skos:definition "a type of data acquisition parameter (when recording the FID) which can be continuous/uniform or sparse/non-uniform signal acquisition." . + + +### http://nmrML.org/nmrCV#NMR:1000349 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "continuous sampling" ; + rdfs:label "uniform sampling"@en ; + skos:definition "With uniform sampling, each sample is separated by the \"dwell time\"." ; + skos:editorialNote "With uniform sampling we don't need to record the time points because we know the dwell time. We may add named strategies to the CV over time that are more specific than non-uniform" . + + +### http://nmrML.org/nmrCV#NMR:1000350 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://link.springer.com/chapter/10.1007%2F1-4020-3910-7_142#page-1" ; + oboInOwl:hasExactSynonym "sparse sampling" ; + rdfs:label "non-uniform sampling"@en ; + skos:definition "with non-uniform, some samples are skipped, there are different strategies for which to skip, but we can simply record the time point as well as the complex data point in order to represent this type of data." ; + skos:editorialNote "Non-uniform sampling is something likely to become more important in the future, because it allows you to capture higher dimension spectra much more quickly" . + + +### http://nmrML.org/nmrCV#NMR:1000352 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker XWIN-NMR software"@en . + + +### http://nmrML.org/nmrCV#NMR:1000353 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "software attribute"@en . + + +### http://nmrML.org/nmrCV#NMR:1000354 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR software version"@en . + + +### http://nmrML.org/nmrCV#NMR:1000355 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "ABX3 multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000356 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AA'BB' multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000357 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + rdfs:label "AA'XX' multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000358 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "variable size bucketing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000359 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "uniform bucketing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000360 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "intelligent bucketing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000361 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "bucket importing"@en . + + +### http://nmrML.org/nmrCV#NMR:1000362 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "put in as reqired by NMRProcFlow tool" ; + rdfs:label "bucket resetting"@en . + + +### http://nmrML.org/nmrCV#NMR:1000363 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "as needed for nmrProcFlow" ; + rdfs:label "global baseline correction"@en . + + +### http://nmrML.org/nmrCV#NMR:1000364 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "as needed for nmrProcFlow" ; + rdfs:label "local baseline correction"@en . + + +### http://nmrML.org/nmrCV#NMR:1000365 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "bucket fusioning"@en . + + +### http://nmrML.org/nmrCV#NMR:1000368 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000116 "duplicate of http://nmrML.org/nmrCV#NMR:1400227" ; + obo:IAO_0000231 obo:IAO_0000227 ; + obo:IAO_0100001 ; + rdfs:label "obsolete_JNM-ECX Series FT NMR instrument"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000369 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECZR Series FT NMR instrument"@en ; + skos:definition """JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. +Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. +The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. +400 MHz - 1 GHz""" . + + +### http://nmrML.org/nmrCV#NMR:1000370 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECZS Series FT NMR instrument"@en ; + skos:definition """The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. +Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. +Whatever your application field ECZS can demonstrate its power. +400 MHz""" . + + +### http://nmrML.org/nmrCV#NMR:1000371 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AVANCE III HD"@en . + + +### http://nmrML.org/nmrCV#NMR:1000372 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NanoBay400 MHz"@en . + + +### http://nmrML.org/nmrCV#NMR:1000373 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Fourier 300HD"@en . + + +### http://nmrML.org/nmrCV#NMR:1000374 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "DNP-NMR"@en . + + +### http://nmrML.org/nmrCV#NMR:1000376 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "LC-NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000377 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "LC-NMR/MS instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000378 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Food-Screener instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000379 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AVANCE IVDr"@en . + + +### http://nmrML.org/nmrCV#NMR:1000380 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 400MHz YH magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000381 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 500MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000382 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 600MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000383 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 700MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000384 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Resonance 800MHz magnet"@en . + + +### http://nmrML.org/nmrCV#NMR:1000385 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "single peak feature"@en . + + +### http://nmrML.org/nmrCV#NMR:1000386 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR instrument vendor"@en ; + skos:definition "Any organisation ort person that sells NMR instruments to customers." . + + +### http://nmrML.org/nmrCV#NMR:1000387 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Avance I spectrometer"@en . + + +### http://nmrML.org/nmrCV#NMR:1000394 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian Inova 500"@en . + + +### http://nmrML.org/nmrCV#NMR:1000395 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VNMRS instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000396 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian Mercury plus"@en . + + +### http://nmrML.org/nmrCV#NMR:1000397 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian UnityInova instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000398 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian 400-MR NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000399 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian DDR2 instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000400 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Agilent NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000401 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Agilent 400-MR NMR instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000402 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian Mercury 400"@en . + + +### http://nmrML.org/nmrCV#NMR:1000403 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Agilent Au 400 (DDR2 Console)"@en . + + +### http://nmrML.org/nmrCV#NMR:1000404 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Agilent DDR 2 w/ HCN cryoprobe"@en . + + +### http://nmrML.org/nmrCV#NMR:1000405 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "BMRB identifier"@en . + + +### http://nmrML.org/nmrCV#NMR:1000406 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TM1" ; + rdfs:comment " 0 rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "trapezoid window function parameter"@en . + + +### http://nmrML.org/nmrCV#NMR:1000408 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex64 Integer"@en ; + skos:definition "This byte format uses a consecutive array of two 32bit integer numbers to represent the real and imaginary part of the complex values (2x32bits=>2x4bytes=> 2 integers) for the FID datatype." . + + +### http://nmrML.org/nmrCV#NMR:1000409 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "complex128 Integer"@en ; + skos:definition "This byte format uses a consecutive array of two 64bit long integer numbers to represent the real and imaginary part of the complex values (2x64bits => 2x8bytes => 2 longs) for the FID datatype." . + + +### http://nmrML.org/nmrCV#NMR:1000410 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TM2" ; + rdfs:comment "0 rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "30 degree pulse duration" ; + rdfs:label "thirty degree pulse duration"@en ; + skos:definition "The duration of the excitation pulse needed to rotate the magnetisation vector by 30 degrees." . + + +### http://nmrML.org/nmrCV#NMR:1000412 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "InChi"@en . + + +### http://nmrML.org/nmrCV#NMR:1000413 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "inchikey"@en . + + +### http://nmrML.org/nmrCV#NMR:1000414 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "WLN" ; + rdfs:label "Wiswesser Line Notation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000415 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ROSDAL"@en . + + +### http://nmrML.org/nmrCV#NMR:1000416 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "SLN-Tripos"@en . + + +### http://nmrML.org/nmrCV#NMR:1000417 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "smarts"@en . + + +### http://nmrML.org/nmrCV#NMR:1000418 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "line representation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000419 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D topological molecule representation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000420 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "2D bond line structure"@en . + + +### http://nmrML.org/nmrCV#NMR:1000421 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3D geometrical molecule representation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000422 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "3D bond line structure"@en . + + +### http://nmrML.org/nmrCV#NMR:1000423 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CAS number"@en . + + +### http://nmrML.org/nmrCV#NMR:1000424 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "fingerprint model"@en . + + +### http://nmrML.org/nmrCV#NMR:1000425 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "molfile"@en . + + +### http://nmrML.org/nmrCV#NMR:1000426 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "compound similarity measure"@en . + + +### http://nmrML.org/nmrCV#NMR:1000427 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Tanimoto similarity"@en . + + +### http://nmrML.org/nmrCV#NMR:1000428 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Gaussian window function parameter"@en . + + +### http://nmrML.org/nmrCV#NMR:1000429 + rdf:type owl:Class ; + rdfs:comment "Not considered relevant anymore." ; + rdfs:label "DEPRECATED 2,2-Dimethyl-2-silapentane-5-sulfonate"@en ; + owl:deprecated "true"^^xsd:boolean . + + +### http://nmrML.org/nmrCV#NMR:1000430 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Gaussian maximum position"@en . + + +### http://nmrML.org/nmrCV#NMR:1000431 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 2H spectra according to IUPAC recommendations." ; + obo:IAO_0000233 ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 2H spectra. The children of this class were manually asserted." ; + rdfs:label "2H spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 2H spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + +### http://nmrML.org/nmrCV#NMR:1000433 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ABX2 multiplet pattern"@en . + + +### http://nmrML.org/nmrCV#NMR:1000434 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "DRX 600 instrument"@en . + + +### http://nmrML.org/nmrCV#NMR:1000435 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "plot and graph generation"@en . + + +### http://nmrML.org/nmrCV#NMR:1000436 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "reference deconvolution"@en ; + skos:definition "vertical alignment of on and offset of the peak of the reference compound." . + + +### http://nmrML.org/nmrCV#NMR:1000437 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "spectral smoothing"@en ; + skos:definition "the process of removing noisy jitters in a spectral curve to get clearer and more meaningful signals and peaks." . + + +### http://nmrML.org/nmrCV#NMR:1000438 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR database format"@en . + + +### http://nmrML.org/nmrCV#NMR:1000439 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "M. Yokochi, N. Kobayashi, E. L. Ulrich, A. R. Kinjo, T. Iwata, Y. E. Ioannidis, M. Livny, J. L. Markley, H. Nakamura, C. Kojima, T. Fujiwara, “Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins,” Journal of Biomedical Semantics, 5:7:16 (2016)" ; + rdfs:label "BMRB/XML file format"@en . + + +### http://nmrML.org/nmrCV#NMR:1000440 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "nD spectrum"@en . + + +### http://nmrML.org/nmrCV#NMR:1000452 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Terms used to describe types of data processing." ; + oboInOwl:hasExactSynonym "data processing" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000452" ; + rdfs:label "NMR data conversion" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Terms used to describe types of data processing." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000457 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000030 ; + obo:IAO_0000115 """tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober""" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000457" ; + rdfs:label "sample" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget """tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober""" ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000463 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "Description of the instrument or the mass spectrometer." ; + obo:IAO_0000116 "not needed as OBI has better equivalent" ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:OBI_0000968 ; + oboInOwl:hasExactSynonym "instrument configuration" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000463" ; + rdfs:label "obsolete_instrument" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Description of the instrument or the mass spectrometer." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000489 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Varian instrument model." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000489" ; + rdfs:label "Varian/Agilent instrument model" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Varian instrument model." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000496 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Instrument properties that are associated with a value." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000496" ; + rdfs:label "instrument attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Instrument properties that are associated with a value." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000524 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Describes the data content on the file." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000524" ; + rdfs:label "data file content" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Describes the data content on the file." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000529 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Serial Number of the instrument." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000529" ; + rdfs:label "instrument serial number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Serial Number of the instrument." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000530 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion of one file format to another." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000530" ; + rdfs:label "file format conversion" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion of one file format to another." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000531 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000017 ; + obo:IAO_0000115 "Software related to the recording or transformation of spectra." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000531" ; + rdfs:label "software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Software related to the recording or transformation of spectra." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000547 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + obo:IAO_0000115 "Object Attribute." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000547" ; + rdfs:label "object attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Object Attribute." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000548 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Sample properties that are associated with a value." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000548" ; + rdfs:label "sample attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Sample properties that are associated with a value." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000561 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000561" ; + rdfs:label "data file checksum type" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Checksum is a form of redundancy check, a simple way to protect the integrity of data by detecting errors in data." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000568 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000568" ; + rdfs:label "MD5" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "MD5 (Message-Digest algorithm 5) is a cryptographic hash function with a 128-bit hash value used to check the integrity of files." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000569 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000569" ; + rdfs:label "SHA-1" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "SHA-1 (Secure Hash Algorithm-1) is a cryptographic hash function designed by the National Security Agency (NSA) and published by the NIST as a U. S. government standard. It is also used to verify file integrity." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000577 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Describes the type of file and its content." ; + oboInOwl:hasExactSynonym "source file" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000577" ; + rdfs:label "NMR raw data file format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Describes the type of file and its content." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000585 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Details about a person or organization to contact in case of concern or discussion about the file." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000585" ; + rdfs:label "contact attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Details about a person or organization to contact in case of concern or discussion about the file." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000586 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Name of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000586" ; + rdfs:label "contact name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Name of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000587 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Postal address of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000587" ; + rdfs:label "contact address" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Postal address of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000588 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Uniform Resource Locator related to the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000588" ; + rdfs:label "contact URL" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Uniform Resource Locator related to the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000589 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Email address of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000589" ; + rdfs:label "contact email" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Email address of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000590 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Home institution of the contact person." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000590" ; + rdfs:label "contact organization" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Home institution of the contact person." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000630 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Data processing parameter used in the data processing performed on the data file." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000630" ; + rdfs:label "data processing parameter" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Data processing parameter used in the data processing performed on the data file." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000747 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000019 ; + obo:IAO_0000115 "The time that a data processing action was finished." ; + oboInOwl:hasDbXref "value-type:xsd:date" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000747" ; + rdfs:label "data processing completion time" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The time that a data processing action was finished." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:date" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000767 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Describes how the native spectrum identifiers are formated." ; + oboInOwl:hasExactSynonym "nativeID format" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000767" ; + rdfs:label "FID format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Describes how the native spectrum identifiers are formated." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000773 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "file=xsd:IDREF." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000773" ; + rdfs:comment "The nativeID must be the same as the source file ID." ; + rdfs:label "Bruker FID format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "file=xsd:IDREF." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000799 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000799" ; + rdfs:label "custom unreleased software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A software tool that has not yet been released. The value should describe the software. Please do not use this term for publicly available software - contact the MSI-NMR working group in order to have another CV term added." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000831 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Description of the preparation steps which took place before the measurement was performed." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000831" ; + rdfs:label "sample preparation information" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Description of the preparation steps which took place before the measurement was performed." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000859 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:OMO_0001000 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000859" ; + rdfs:label "obsolete_molecule" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A molecules is a fundamental component of a chemical compound that is the smallest part of the compound that can participate in a chemical reaction." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000860 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A compound of low molecular weight that is composed of two or more amino acids." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:OMO_0001000 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000860" ; + rdfs:label "obsolete_peptide" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A compound of low molecular weight that is composed of two or more amino acids." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000861 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A describable property of a chemical compound." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000861" ; + rdfs:label "chemical compound attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A describable property of a chemical compound." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000862 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The pH of a solution at which a charged molecule does not migrate in an electric field." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasExactSynonym "pI" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000862" ; + rdfs:label "isoelectric point" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The pH of a solution at which a charged molecule does not migrate in an electric field." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000863 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm." ; + oboInOwl:hasDbXref "value-type:xsd:float" ; + oboInOwl:hasExactSynonym "predicted pI" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000863" ; + rdfs:label "predicted isoelectric point" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The pH of a solution at which a charged molecule would not migrate in an electric field, as predicted by a software algorithm." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:float" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000864 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A combination of symbols used to express the chemical composition of a compound." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000864" ; + rdfs:label "chemical compound formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A combination of symbols used to express the chemical composition of a compound." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000865 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical formula which expresses the proportions of the elements present in a substance." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000865" ; + rdfs:label "empirical formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical formula which expresses the proportions of the elements present in a substance." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000866 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000866" ; + rdfs:label "molecular formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical compound formula expressing the number of atoms of each element present in a compound, without indicating how they are linked." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000867 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000867" ; + rdfs:label "structural formula" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical formula showing the number of atoms of each element in a molecule, their spatial arrangement, and their linkage to each other." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000868 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000868" ; + rdfs:label "SMILES string" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of a chemical compound using a short ASCII string." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000878 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An identifier/accession number to an external reference database." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000878" ; + rdfs:label "external reference identifier" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An identifier/accession number to an external reference database." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000879 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A unique identifier for a publication in the PubMed database (MIR:00000015)." ; + oboInOwl:hasDbXref "value-type:xsd:integer" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000879" ; + rdfs:label "PubMed identifier" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A unique identifier for a publication in the PubMed database (MIR:00000015)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:integer" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000881 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change, CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:IAO_0000228 ; + obo:IAO_0100001 obo:CHEBI_23367 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000881" ; + rdfs:comment "Use Chebi entities here." ; + rdfs:label "obsolete_chemical compound" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A substance formed by chemical union of two or more elements or ingredients in definite proportion by weight." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000882 + rdf:type owl:Class ; + rdfs:subClassOf oboInOwl:ObsoleteClass ; + obo:IAO_0000115 "A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein." ; + obo:IAO_0000116 "Not considered relevant anymore, and if this might change CHEBI equivalents should be used instead. See also: https://github.com/nmrML/nmrCV/issues/15" ; + obo:IAO_0000231 obo:OMO_0001000 ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000882" ; + rdfs:label "obsolete_protein" ; + owl:deprecated "true"^^xsd:boolean . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A compound composed of one or more chains of amino acids in a specific order determined by the base sequence of nucleotides in the DNA coding for the protein." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000883 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN)." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000883" ; + rdfs:label "protein short name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A short name or symbol of a protein (e.g., HSF 1 or HSF1_HUMAN)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000884 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An nonphysical attribute describing a specific protein." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000884" ; + rdfs:label "protein attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An nonphysical attribute describing a specific protein." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000885 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Accession number for a specific protein in a database." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000885" ; + rdfs:label "protein accession" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Accession number for a specific protein in a database." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000886 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A long name describing the function of the protein." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000886" ; + rdfs:label "protein name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A long name describing the function of the protein." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000887 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An nonphysical attribute that can be used to describe a peptide." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000887" ; + rdfs:label "peptide attribute" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An nonphysical attribute that can be used to describe a peptide." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000888 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000888" ; + rdfs:label "unmodified peptide sequence" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A sequence of letter symbols denoting the order of amino acids that compose the peptide, without encoding any amino acid mass modifications that might be present." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000889 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu)." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000889" ; + rdfs:label "modified peptide sequence" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A sequence of letter symbols denoting the order of amino acids that compose the peptide plus the encoding any amino acid mass modifications that are present using the notation where the total mass of the modified amino acid is specified in square bracketed numbers following the letter (e.g. R[162.10111] indicates an arginine whose final modified mass is 162.10111 amu)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000890 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A state description of how a peptide might be isotopically or isobarically labelled." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000890" ; + rdfs:label "peptide labeling state" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A state description of how a peptide might be isotopically or isobarically labelled." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000891 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A peptide that has been created or labeled with some heavier-than-usual isotopes." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000891" ; + rdfs:label "heavy labeled peptide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A peptide that has been created or labeled with some heavier-than-usual isotopes." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000892 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as \"light\" to distinguish from \"heavy\"." ; + oboInOwl:hasExactSynonym "light labeled peptide" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000892" ; + rdfs:label "unlabeled peptide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A peptide that has not been labeled with heavier-than-usual isotopes. This is often referred to as \"light\" to distinguish from \"heavy\"." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000893 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000893" ; + rdfs:label "peptide group label" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "An arbitrary string label used to mark a set of peptides that belong together in a set, whereby the members are differentiated by different isotopic labels. For example, the heavy and light forms of the same peptide will both be assigned the same peptide group label." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000898 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + obo:IAO_0000115 "Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000898" ; + rdfs:label "data standard" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Something, such as a practice or a product, that is widely recognized or employed, especially because of its excellence." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000899 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard." ; + oboInOwl:hasDbXref "MS_1000899" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000899" ; + rdfs:label "de facto standard" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A practice or product that has become a standard not because it has been approved by a standards organization but because it is widely used and recognized by the industry as being standard." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000900 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result." ; + oboInOwl:hasDbXref "MS_1000899" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000900" ; + rdfs:label "minimum information standard" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A specification of a minimum amount of information needed to reproduce or fully interpret a scientific result." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000914 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A file that has two or more columns of tabular data where each column is separated by a TAB character." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000914" ; + rdfs:label "tab delimited text file" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A file that has two or more columns of tabular data where each column is separated by a TAB character." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1000933 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000933" ; + rdfs:label "protein modification" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Encoding of modifications of the protein sequence from the specified accession, written in PEFF notation." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1000934 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Name of the gene from which the protein is translated." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1000934" ; + rdfs:label "gene name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Name of the gene from which the protein is translated." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001040 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Type of the source file, the nmrIdentML was created from." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001040" ; + rdfs:label "intermediate analysis format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Type of the source file, the nmrIdentML was created from." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001107 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Source file for this nmrIdentML was a data set in a database." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001107" ; + rdfs:label "data stored in database" ; + skos:editorialNote "retire? Consider: \"NMR database format\" ?" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Source file for this nmrIdentML was a data set in a database." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001267 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001267" ; + rdfs:label "software vendor" . + + +### http://nmrML.org/nmrCV#NMR:1001268 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001268" ; + rdfs:label "programmer" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001269 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001269" ; + rdfs:label "instrument vendor" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001270 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001270" ; + rdfs:label "lab personnel" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001271 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001271" ; + rdfs:label "researcher" . + + +### http://nmrML.org/nmrCV#NMR:1001456 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Analysis software." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001456" ; + rdfs:label "analysis software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Analysis software." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001457 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion software." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001457" ; + rdfs:label "data processing software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion software." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001459 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Format of data files." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001459" ; + rdfs:label "data file format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Format of data files." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1001755 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Phone number of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001755" ; + rdfs:label "contact phone number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Phone number of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001756 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Fax number for the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001756" ; + rdfs:label "contact fax number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Fax number for the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001757 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Toll-free phone number of the contact person or organization." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001757" ; + rdfs:label "contact toll-free phone number" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Toll-free phone number of the contact person or organization." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001922 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "DOI unique identifier." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001922" ; + rdfs:label "Digital Object Identifier (DOI)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "DOI unique identifier." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001923 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Free text attribute that can enrich the information about an entity." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001923" ; + rdfs:label "external reference keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Free text attribute that can enrich the information about an entity." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001924 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Keyword present in a scientific publication." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001924" ; + rdfs:label "journal article keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Keyword present in a scientific publication." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001925 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Keyword assigned by the data submitter." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001925" ; + rdfs:label "submitter keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Keyword assigned by the data submitter." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001926 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Keyword assigned by a data curator." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001926" ; + rdfs:label "curator keyword" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Keyword assigned by a data curator." ; + oboInOwl:hasDbXref "MSI:MI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1001954 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Parameters used in the NMR spectrometry acquisition." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1001954" ; + rdfs:label "NMR acquisition parameter" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Parameters used in the NMR spectrometry acquisition." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A unique identifier for a metabolite in the HMDB database (HMDB00001)." ; + oboInOwl:hasDbXref "value-type:xsd:integer" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002000" ; + rdfs:label "HMDB identifier" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A unique identifier for a metabolite in the HMDB database (HMDB00001)." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:integer" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002001 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chenomx software for data acquisition and analysis." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002001" ; + rdfs:label "Chenomx software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Chenomx software for data acquisition and analysis." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002002 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chenomx software for data analysis." ; + dce:source "http://www.chenomx.com/software/" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002002" ; + rdfs:label "Chenomx NMR Suite software" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Chenomx software for data analysis." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002003 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "file=xsd:IDREF." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002003" ; + rdfs:comment "The nativeID must be the same as the source file ID." ; + rdfs:label "Varian FID format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "file=xsd:IDREF." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002004 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002004" ; + rdfs:label "NMR spectrometer file format" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "The format of the file being used. This could be a instrument or vendor specific proprietary file format or a converted open file format." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002005 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Simple text file of peaks." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002005" ; + rdfs:label "text file" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Simple text file of peaks." ; + oboInOwl:hasDbXref "MSI:PI" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Parameter file used to configure the acquisition of raw data on the instrument." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002006" ; + rdfs:label "acquisition parameter file" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Parameter file used to configure the acquisition of raw data on the instrument." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002007 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 """tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. + def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. + synonym: NMR spectrum""" ; + dce:source "as designated Experiment type on http://www.bmrb.wisc.edu/tools/choose_pulse_info.php " ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002007" ; + rdfs:label "NMR spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1002008 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion of a file format to Metabolomics Standards Initiative nmrData file format." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002008" ; + rdfs:label "conversion to nmrML" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion of a file format to Metabolomics Standards Initiative nmrData file format." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002009 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Conversion of a file format to JCAMP-DX file format." ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002009" ; + rdfs:label "conversion to JCAMP-DX" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Conversion of a file format to JCAMP-DX file format." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + + +### http://nmrML.org/nmrCV#NMR:1002010 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002010" ; + rdfs:label "NMR solvent information" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002011 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "pH." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002011" ; + rdfs:label "pH" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "pH." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002013 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM." ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/29#issue" ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002013" ; + rdfs:label "chemical shift reference" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Chemical shift reference is a run attribute to designate the parts-per-million value of the peak used to reference a spectrum. It points to a fix chemical shift number, for examples 0 ppm for DSS or TSP. It can also have a calculated concentration, for examples 0.1 mM." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002014 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A bin for a spectrum." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasExactSynonym "bucketed spectrum descriptor" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002014" ; + rdfs:label "binned spectrum descriptor" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A bin for a spectrum." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002015 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin label." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002015" ; + rdfs:label "bin label" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin label." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002016 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin start." ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002016" ; + rdfs:label "bin start" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin start." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002017 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin end." ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002017" ; + rdfs:label "bin end" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin end." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002018 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Bin area." ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002018" ; + rdfs:label "bin area" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Bin area." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002020 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "Name of metabolite." ; + oboInOwl:hasDbXref "value-type:xsd:string" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002020" ; + rdfs:label "assigned chemical compound name" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "Name of metabolite." ; + oboInOwl:hasDbXref "MSI:NMR" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:string" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002021 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasDbXref "value-type:xsd:decimal" ; + oboInOwl:hasOBONamespace "NMR" ; + oboInOwl:id "NMR:1002021" ; + rdfs:label "assigned chemical compound concentration" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "value-type:xsd:decimal" ; + rdfs:label "The allowed value-type for this CV term." + ] . + + +### http://nmrML.org/nmrCV#NMR:1002032 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Hilbert transformation based scaling"@en . + + +### http://nmrML.org/nmrCV#NMR:1400001 + rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:unionOf ( + + ) + ] ; + rdfs:subClassOf obo:OBI_0000968 ; + obo:IAO_0000116 "This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact."@en ; + obo:IAO_0000233 ; + rdfs:comment """def: Part of an NMR instrument which is not cardinally important and hence optional / facultative for the proper intended function of the instrument. + synonym: optional part of NMR instrument + clsdel: ontologically there is no such universal which characteristic is a possible (!) state of being a part of something...""" ; + rdfs:label "optional part of NMR instrument" ; + owl:versionInfo "TODO: Discuss \"obligatory_part_of\"." . + + +### http://nmrML.org/nmrCV#NMR:1400002 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment """def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. + altdef: The autosampler is an automatic sample changer.""" ; + rdfs:label "NMR autosampler" . + + +### http://nmrML.org/nmrCV#NMR:1400006 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000119 "http://www.chem.wisc.edu/areas/reich/plt/windnmr.htm" ; + oboInOwl:hasExactSynonym "multiplicity" ; + rdfs:label "multiplicity feature" . + + +### http://nmrML.org/nmrCV#NMR:1400008 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. + defprov: Daniel Schober""" ; + rdfs:label "projected spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1400009 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "binned spectrum" ; + rdfs:comment "def: A post-processed NMR spectrum in which the y-values of the datapoints have been summed based on periodic ranges of the x-axis values." ; + rdfs:label "bucketed spectrum" ; + owl:versionInfo "TODO: has spectral post processing parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400010 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "peak-picked spectrum" ; + owl:versionInfo "TODO: has spectral post processing parameter." . + + +### http://nmrML.org/nmrCV#NMR:1400011 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000968 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] ; + obo:IAO_0000116 "This defined class is a grouping class whose children are inferred based on its logical definition and are materialized by the reasoning step in the creation of the release artefact."@en ; + obo:IAO_0000233 ; + rdfs:comment """def: A part of an NMR instrument which is cardinally important and hence obligatory and compulsatory for the proper intended function of the instrument. + synonym: cardinal part of NMR instrument""" ; + rdfs:label "cardinal part of NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400013 + rdf:type owl:Class ; + rdfs:subClassOf , + obo:OBI_0400107 ; + obo:IAO_0000233 ; + rdfs:comment "def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers." ; + rdfs:label "NMR acquisition computer" . + + +### http://nmrML.org/nmrCV#NMR:1400014 + rdf:type owl:Class ; + rdfs:subClassOf , + obo:OBI_0000832 ; + obo:IAO_0000233 ; + rdfs:comment """def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. + altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample.""" ; + rdfs:label "NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400015 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment "def: A component of an NMR instrument that controls the activities of the other components." ; + rdfs:label "NMR console" ; + owl:versionInfo "TODO: same as or part of acquisition computer?" . + + +### http://nmrML.org/nmrCV#NMR:1400017 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: The number of data points in a data set." ; + rdfs:label "number of acquisition data points" . + + +### http://nmrML.org/nmrCV#NMR:1400019 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A frequency used during Hadamard encoding." ; + rdfs:label "hadamard frequency" . + + +### http://nmrML.org/nmrCV#NMR:1400020 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The axis onto which the spectrum was projected." ; + rdfs:label "projection axis" . + + +### http://nmrML.org/nmrCV#NMR:1400022 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "90 degree pulse duration" ; + rdfs:label "ninety degree pulse duration" ; + skos:definition "The duration of the excitation pulse needed to rotate the magnetisation vector by 90 degrees." . + + +### http://nmrML.org/nmrCV#NMR:1400023 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A digital sampling interval. + alsprcls: time interval""" ; + rdfs:label "dwell time" . + + +### http://nmrML.org/nmrCV#NMR:1400024 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The temperature of an item of analysis material whilst in an autosampler." ; + rdfs:label "sample temperature in autosampler" . + + +### http://nmrML.org/nmrCV#NMR:1400025 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The temperature of an NMR sample whilst in the magnet of an NMR instrument." ; + rdfs:label "sample temperature in magnet" . + + +### http://nmrML.org/nmrCV#NMR:1400026 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The frequency of the RF radiation used to irradiate an NMR sample." ; + rdfs:label "irradiation frequency" . + + +### http://nmrML.org/nmrCV#NMR:1400027 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The intensity of an electric, magnetic, or other field." ; + rdfs:label "field strength" . + + +### http://nmrML.org/nmrCV#NMR:1400028 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The rate at which an item of analysis material is spun." ; + rdfs:label "spinning rate" . + + +### http://nmrML.org/nmrCV#NMR:1400029 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: An indication of whether the nucleus being studied is the acquitsition nucleus." ; + rdfs:label "decoupled nucleus flag" . + + +### http://nmrML.org/nmrCV#NMR:1400031 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A compound added to a sample to alter its pH value." ; + rdfs:label "buffer information" . + + +### http://nmrML.org/nmrCV#NMR:1400032 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:CHEBI_23367 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom + ] ; + obo:IAO_0000115 "A molecular entity that has a calibration compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + rdfs:label "calibration compound" . + + +### http://nmrML.org/nmrCV#NMR:1400033 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_228364 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_228364 + ] ; + obo:IAO_0000115 "A chemical shift calibration compound that has a chemical shift reference compound role in nuclear magnetic resonance (NMR) spectroscopy." ; + obo:IAO_0000233 ; + dce:source "http://www.nmrnotes.org/NMRPages/refcomps.html" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/31" , + "https://github.com/nmrML/nmrML/issues/33" ; + rdfs:label "chemical shift reference compound" . + + +### http://nmrML.org/nmrCV#NMR:1400034 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The compound that produced a peak that is measured to assess the quality of a data set." ; + rdfs:label "quality check compound signal" . + + +### http://nmrML.org/nmrCV#NMR:1400037 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.bmrb.wisc.edu/tools/choose_pulse_info.php" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/40" ; + rdfs:comment "def: A sequence of excitation pulses." ; + rdfs:label "NMR pulse sequence" ; + skos:editorialNote """May later import from + +http://purl.obolibrary.org/obo/CHMO_0001841""" , + "See also http://www.jcamp-dx.org/protocols/NMR%20Pulse%20Sequences%20PAC%2079(11)%20pp1748-1764%202001.pdf" . + + +### http://nmrML.org/nmrCV#NMR:1400038 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "nmr-spectrum data processing" , + "post-FT data processing" ; + rdfs:comment "def: Automatic or manual procedures performed upon pre-processed NMR data sets that aim to summarise them or annotate them with speculative values." ; + rdfs:label "frequency domain data processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1400041 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "pre-FT data processing" ; + rdfs:comment """def: The post acquisition process of producing or refining a spectrum from raw data. + defprov: Daniel Schober""" ; + rdfs:label "time domain data processing"@en . + + +### http://nmrML.org/nmrCV#NMR:1400042 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A data transformation that converts an NMR input data set into an output data set in a tracable and useful manner." ; + rdfs:label "NMR data processing" . + + +### http://nmrML.org/nmrCV#NMR:1400045 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A non FT based method for converting from the time to the frequency domain." ; + rdfs:label "non-fourier FID transformation" ; + owl:versionInfo "TODO:Exclusion guided definition." . + + +### http://nmrML.org/nmrCV#NMR:1400048 + rdf:type owl:Class ; + rdfs:subClassOf ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/37" ; + rdfs:comment """tempdef: A data processing which alteres a data file for a specific purpose. + defprov: Daniel Schober""" ; + rdfs:label "data encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400049 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. + defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf + synonym: GFT-projection""" ; + rdfs:label "G matrix fourier transform projection" . + + +### http://nmrML.org/nmrCV#NMR:1400051 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: TPPI""" ; + rdfs:label "time proportional phase incrementation" . + + +### http://nmrML.org/nmrCV#NMR:1400053 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A method for quadrature detection. + synonym: S-TPPI""" ; + rdfs:label "states-time proportional phase incrementation" . + + +### http://nmrML.org/nmrCV#NMR:1400054 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "Hadamard encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400056 + rdf:type owl:Class ; + rdfs:subClassOf ; + dce:source "http://www.magnet.fsu.edu/library/publications/NHMFL_Publication-6859.pdf" ; + rdfs:comment "defneed" ; + rdfs:label "Frydman encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400057 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "echo anti-echo coherence selection" . + + +### http://nmrML.org/nmrCV#NMR:1400059 + rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000832 ; + obo:IAO_0000233 ; + rdfs:comment """def: An Instrument which is used to carry out a NMR analysis of some sample. + synonym: NMR instrument""" ; + rdfs:label "NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400061 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. + altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. + synonym: NMR instrument acquisition parameter set""" ; + rdfs:label "NMR instrument acquisition parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400063 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + oboInOwl:hasBroadSynonym "method" ; + rdfs:comment "defneed" ; + rdfs:label "data transformation"@en ; + owl:versionInfo "altspcls: process ???" . + + +### http://nmrML.org/nmrCV#NMR:1400064 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca Serra" ; + obo:IAO_0000119 """http://pubs.acs.org/doi/pdf/10.1021/ac0519312 + +10.1021/ac0519312 + +Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets + +Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * +Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K.""" , + "http://stats.stackexchange.com/questions/35591/normalization-vs-scaling" ; + rdfs:label "normalisation" ; + skos:definition """normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. +This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples.""" . + + +### http://nmrML.org/nmrCV#NMR:1400066 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. + defprov: Daniel Schober""" ; + rdfs:label "pre-acquisition water suppression" . + + +### http://nmrML.org/nmrCV#NMR:1400068 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A function applied to a FID to increase the signal-to-noise ratio or the resolution." ; + dce:source "http://www.uwyo.edu/wheelernmr/nmr/window_functions.pdf" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/39" , + "https://github.com/nmrML/nmrML/issues/67" ; + oboInOwl:hasExactSynonym "apodization function" ; + rdfs:label "window function for apodization" . + + +### http://nmrML.org/nmrCV#NMR:1400069 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "The exponential function used to multiply a FID by to produce a desitred amount of line broadening." ; + oboInOwl:hasExactSynonym "exponential apodization" ; + rdfs:comment """Functional form: + em(x_i) = exp(-pi*i*lb) + Parameters: + * data Array of spectral data. + * lp Exponential line broadening. + * inv Set True for inverse apodization.""" ; + rdfs:label "exponential multiplication window function" . + + +### http://nmrML.org/nmrCV#NMR:1400070 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "gaussian broadening" ; + rdfs:comment "defneed" ; + rdfs:label "Gaussian window function" . + + +### http://nmrML.org/nmrCV#NMR:1400071 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "sine" , + "sine bell window function" ; + rdfs:comment "defneed" ; + rdfs:label "sine window function" . + + +### http://nmrML.org/nmrCV#NMR:1400072 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "QSINE" ; + rdfs:comment "defneed" ; + rdfs:label "sine squared window" . + + +### http://nmrML.org/nmrCV#NMR:1400073 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A method for eliminating or reducing the noise in a spectrum." ; + rdfs:label "spectral denoising" . + + +### http://nmrML.org/nmrCV#NMR:1400074 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A method of flattening the baseline of a spectrum." ; + rdfs:label "baseline correction" . + + +### http://nmrML.org/nmrCV#NMR:1400075 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "A method of spectral projection." ; + rdfs:label "spectral projection" . + + +### http://nmrML.org/nmrCV#NMR:1400076 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "maximum intensity projection" . + + +### http://nmrML.org/nmrCV#NMR:1400077 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. + altdef: The adding of spectra together to produce a composite avergaed spectrum.""" ; + rdfs:label "summation projection" . + + +### http://nmrML.org/nmrCV#NMR:1400079 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. + altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width.""" ; + rdfs:label "zero order phase correction" . + + +### http://nmrML.org/nmrCV#NMR:1400080 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "first order phase correction" . + + +### http://nmrML.org/nmrCV#NMR:1400081 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "symmetrisation" . + + +### http://nmrML.org/nmrCV#NMR:1400083 + rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + rdfs:comment "def: The nucleus of an element or isotope that is being studied during an NMR analysis. Common NMR requirements include direct 1D and 2D proton-only NMR, direct observation of 13C NMR with 1H decoupling, direct observation of other nuclei such as 19F, 31P, 29Si, 31P, 27Al, and 15N (with or without 1H decoupling), triple resonance NMR (especially inverse triple resonance such as 1H observe, 13C and 15N decouple), and inverse 2D and 3D experiments such as HMQC and HMBC." ; + rdfs:label "acquisition nucleus" . + + +### http://nmrML.org/nmrCV#NMR:1400086 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A feature of a peak that is measured to assess the quality of a data set." ; + rdfs:label "quality check peak feature" . + + +### http://nmrML.org/nmrCV#NMR:1400087 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The number of repeat scans performed and summed to create the data set for an NMR sample." ; + rdfs:label "number of scans" . + + +### http://nmrML.org/nmrCV#NMR:1400088 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The number of scans whose data is not summed to create the data set for an NMR sample, but that are carried out to establish the steady-state of relaxation for the nuclei." ; + rdfs:label "number of steady state scans" . + + +### http://nmrML.org/nmrCV#NMR:1400089 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A scheme for producing a numerical representation of the environment of an atom." ; + rdfs:label "atom environment encoding" . + + +### http://nmrML.org/nmrCV#NMR:1400090 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The delay between repeat scans to allow nuclei to relax back to their steady state." ; + rdfs:label "relaxation delay" . + + +### http://nmrML.org/nmrCV#NMR:1400091 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum).""" ; + rdfs:label "x-axis unit" . + + +### http://nmrML.org/nmrCV#NMR:1400092 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "y-axis unit" . + + +### http://nmrML.org/nmrCV#NMR:1400093 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: The unit of measurement of the second dimension of a 2D NMR dataset." ; + rdfs:label "additional axis unit" . + + +### http://nmrML.org/nmrCV#NMR:1400094 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The initial time or frequency a FID or spectrum is recorded from.""" ; + rdfs:label "x start value" . + + +### http://nmrML.org/nmrCV#NMR:1400095 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: The end value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum." ; + rdfs:label "x end value" . + + +### http://nmrML.org/nmrCV#NMR:1400096 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A parameter to a window function." ; + rdfs:label "window function parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400097 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca-Serra" ; + obo:IAO_0000119 """http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin""" ; + rdfs:comment "defneed" ; + rdfs:label "line broadening" ; + skos:definition """line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. +When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. +The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. +Line broadening may be caused by: +Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities.""" . + + +### http://nmrML.org/nmrCV#NMR:1400098 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000117 "Philippe Rocca-Serra" ; + obo:IAO_0000119 """http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin""" ; + rdfs:comment "defneed" ; + rdfs:label "line sharpening" ; + skos:definition """line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. +Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering.""" . + + +### http://nmrML.org/nmrCV#NMR:1400101 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:comment "defneed" ; + rdfs:label "parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400105 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. + synonym: NMR spectral projection parameter set""" ; + rdfs:label "NMR spectral projection parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400106 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. + synonym: NMR spectrum post-processing parameter set""" ; + rdfs:label "NMR data post-processing parameter set" ; + owl:versionInfo "TODO: altsprcls: process, not clear wether set is plural (list) or process." . + + +### http://nmrML.org/nmrCV#NMR:1400107 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis + synonym: NMR quality check parameter set""" ; + rdfs:label "NMR quality check parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400108 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "excitation sculpting" ; + rdfs:comment """tempdef: A data processing technique used to suppress the water peak in a spectrum in order to get clearer results. + defprov: Daniel Schober""" ; + rdfs:label "post-acquisition water suppression" . + + +### http://nmrML.org/nmrCV#NMR:1400109 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. + synonym: HSVD""" ; + rdfs:label "hankel singular value decomposition" . + + +### http://nmrML.org/nmrCV#NMR:1400110 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "convolution" . + + +### http://nmrML.org/nmrCV#NMR:1400111 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "polynomial fitting" . + + +### http://nmrML.org/nmrCV#NMR:1400112 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A computational method that archieves water suppression via wavlet multi resolution analysis." ; + rdfs:label "WaveWat" . + + +### http://nmrML.org/nmrCV#NMR:1400114 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: NMR data pre-processing parameter set""" ; + rdfs:label "NMR data pre-processing parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400116 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The process of ensuring the quality of the raw data that results from an NMR analysis. + synonym: NMR quality check""" ; + rdfs:label "NMR quality check" . + + +### http://nmrML.org/nmrCV#NMR:1400117 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:comment "def: A reference is a label which refers to data elsewhere, as opposed to containing the data itself. Accessing the value that a reference refers to is called dereferencing it. References are fundamental in constructing many data structures and in exchanging information between different parts of programs and databases." ; + rdfs:label "reference" . + + +### http://nmrML.org/nmrCV#NMR:1400119 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "FID file reference" ; + rdfs:comment """def: A reference to a file containing the raw FID. + synonym: FID file reference""" ; + rdfs:label "FID file" . + + +### http://nmrML.org/nmrCV#NMR:1400120 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a description of a pulse sequence in the literature." ; + rdfs:label "pulse sequence literature reference" . + + +### http://nmrML.org/nmrCV#NMR:1400121 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a file containing a specfication of the shape of an excitation pulse." ; + rdfs:label "shaped pulse file" . + + +### http://nmrML.org/nmrCV#NMR:1400122 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a file containing a specification of a pulse sequence." ; + rdfs:label "pulse sequence file" . + + +### http://nmrML.org/nmrCV#NMR:1400123 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A reference to a file of data pre-processing parameters produced by the machine." ; + rdfs:label "processing parameter file" . + + +### http://nmrML.org/nmrCV#NMR:1400124 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "PRS: rename 'reference' to 'identifier'"@en , + """def: A reference to information on the provenance of the NMR sample. + synonym: NMR sample reference""" ; + rdfs:label "NMR sample identifier" . + + +### http://nmrML.org/nmrCV#NMR:1400126 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: A result of an NMR quality check. + synonym: NMR quality check result""" ; + rdfs:label "NMR quality check descriptor" . + + +### http://nmrML.org/nmrCV#NMR:1400128 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A sample that has been prepared for chemical analysis by NMR." ; + rdfs:label "NMR sample" . + + +### http://nmrML.org/nmrCV#NMR:1400129 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A sample introduction parameter is a parameter that describes the particular method of introducing the sample under investigation into the NMR instrument." ; + rdfs:label "sample introduction parameter" . + + +### http://nmrML.org/nmrCV#NMR:1400130 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: MAS rotor""" ; + rdfs:label "magic angle spinning rotor" . + + +### http://nmrML.org/nmrCV#NMR:1400131 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "flow probe" . + + +### http://nmrML.org/nmrCV#NMR:1400132 + rdf:type owl:Class ; + rdfs:subClassOf , + obo:OBI_0000836 ; + obo:IAO_0000115 "The sample-tube holds the NMR sample and sits in the NMR probe. It is usually a glass tube of 5-20mm diameter." ; + obo:IAO_0000233 ; + dce:source "http://en.wikipedia.org/wiki/NMR_tube" ; + doap:bug-database "https://github.com/nmrML/nmrML/issues/54" ; + oboInOwl:hasExactSynonym "sample tube" ; + rdfs:comment "sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID" ; + rdfs:label "NMR sample tube" . + + +### http://nmrML.org/nmrCV#NMR:1400134 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A software artifact used during data pre-processing." ; + rdfs:label "spectrum pre-processing software" . + + +### http://nmrML.org/nmrCV#NMR:1400135 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: A software artifact used during spectral post-processing." ; + rdfs:label "spectrum post-processing software" . + + +### http://nmrML.org/nmrCV#NMR:1400137 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "peak picking" . + + +### http://nmrML.org/nmrCV#NMR:1400138 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "binning" ; + rdfs:comment """def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. + altdef: A type of automated integration which occurs across pre-defined regions for a spectrum.""" , + "for bucket parameters see 'binned spectrum descriptor'" ; + rdfs:label "bucketing" . + + +### http://nmrML.org/nmrCV#NMR:1400140 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "presaturation of the solvent resonance" ; + rdfs:comment """defneed + synonym: presaturation""" ; + rdfs:label "presat pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400141 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. + defprov: Daniel Schober + synonym: WET""" ; + rdfs:label "water suppression enhanced through T1 effects" ; + skos:altLabel "WET"@en . + + +### http://nmrML.org/nmrCV#NMR:1400142 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "NOESY presat" ; + rdfs:comment """tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. + defprov: Daniel Schober + synonym: NOESY-presat""" ; + rdfs:label "nuclear overhauser and exchange spectroscopy-presat" . + + +### http://nmrML.org/nmrCV#NMR:1400143 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "watergate" . + + +### http://nmrML.org/nmrCV#NMR:1400146 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not \"refocused\" by the refocus gradient (therefore, is not selected). + defprov: Daniel Schober""" ; + rdfs:label "coherence pathway rejection" . + + +### http://nmrML.org/nmrCV#NMR:1400147 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "flip-back watergate" . + + +### http://nmrML.org/nmrCV#NMR:1400148 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A jump and return pulse sequence method is a water suppression method that uses a defined pulse sequence to make fast exchanging protons visible." ; + rdfs:label "jump and return pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400149 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef: A jump and return 1-1 pulse sequence method is a jump and return method that uses one 90 degree pulse and one 90 degree return puls to make fast exchanging protons visible, first described by Plateau,P. and Gueron,M. (1982) J. Am. Chem. Soc., 104, 7310–7311. Compared to the 1-3-3-1 method it has a lower receiver gain and the dispersive tail of water interferes with the signals of interest." ; + rdfs:label "jump and return 1-1" . + + +### http://nmrML.org/nmrCV#NMR:1400150 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "tempdef:A jump and return 1-3-3-1 pulse sequence method is a jump and return method that uses a 1-3-3-1 pulse sequence to make fast exchanging protons visible. Compared to the 1-1 method it has better water suppression (higher receiver gain) capabilities, but with offset-dependent phase distortion (unsuitable for 2D)." ; + rdfs:label "jump and return 1-3-3-1" . + + +### http://nmrML.org/nmrCV#NMR:1400161 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 1D spectrum""" ; + rdfs:label "1D spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1400162 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 2D spectrum""" ; + rdfs:label "2D spectrum" . + + +### http://nmrML.org/nmrCV#NMR:1400165 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 1D NMR acquisition parameter set""" ; + rdfs:label "1D NMR acquisition parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400166 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 2D NMR acquisition parameter set""" ; + rdfs:label "2D NMR acquisition parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400167 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. + defprov: Daniel Schober + synonym: 1D CPMG""" ; + rdfs:label "carr purcell meiboom gill pulse sequence" ; + skos:altLabel "CPMG"@en . + + +### http://nmrML.org/nmrCV#NMR:1400168 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "TCOSY pulse sequence" ; + rdfs:comment """tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. + defprov: Daniel Schober + synonym:2D TOCSY pulse sequence""" ; + rdfs:label " total correlation spectroscopy pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400169 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). + synonym: 1D""" ; + rdfs:label "1D pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400170 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. + defprov: Daniel Schober + synonym: 2D J-resolved""" ; + rdfs:label "J-resolved pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400171 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 2D hadamard TOCSY""" ; + rdfs:label "hadamard total correlation spectroscopy pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400172 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """defneed + synonym: 1D diffusion edited""" ; + rdfs:label "diffusion edited pulse sequence" . + + +### http://nmrML.org/nmrCV#NMR:1400185 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment """def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. + altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss.""" ; + rdfs:label "NMR magnet" . + + +### http://nmrML.org/nmrCV#NMR:1400186 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "Bruker NMR magnet" . + + +### http://nmrML.org/nmrCV#NMR:1400187 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "UltraShield" . + + +### http://nmrML.org/nmrCV#NMR:1400188 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Ultrastabilized" . + + +### http://nmrML.org/nmrCV#NMR:1400189 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "US 2" ; + owl:versionInfo "??? How to model \"hoch 2\"?" . + + +### http://nmrML.org/nmrCV#NMR:1400190 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "UltraShield Plus" . + + +### http://nmrML.org/nmrCV#NMR:1400191 + rdf:type owl:Class ; + rdfs:subClassOf , + ; + rdfs:comment """def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: + Significant S/N gains (with moderately salty samples also) + Short pulse widths + Short ring down times + Linear behavior in power response + Gradient capability + CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher + All high resolution probes have a lock circuit + All high resolution probes have Z-gradient + defprov: Bruker website""" ; + rdfs:label "Bruker CryoProbe" . + + +### http://nmrML.org/nmrCV#NMR:1400192 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. + defprov: Bruker website + altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. + synonyms: High resolution MAS, hr-MAS""" ; + rdfs:label "high resolution magic angle spin probe" . + + +### http://nmrML.org/nmrCV#NMR:1400193 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. + defprov: Bruker website + synonym: solid MAS probe""" ; + rdfs:label "solid magic angle spinning probe" . + + +### http://nmrML.org/nmrCV#NMR:1400194 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: + up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) + excellent solvent suppression properties + virtually no salt effect + discrete samples in tubes that can be sealed and stored + automation accessory for sample preparation and handling available + defprov: Bruker website""" ; + rdfs:label "1mm MicroProbe" . + + +### http://nmrML.org/nmrCV#NMR:1400195 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. + defprov: Bruker website + synonym: flow HR-probe""" ; + rdfs:label "flow high resolution probe" . + + +### http://nmrML.org/nmrCV#NMR:1400196 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "NMR instrument parameter set" . + + +### http://nmrML.org/nmrCV#NMR:1400197 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "AVANCE II spectrometer" ; + owl:versionInfo "TODO: May need no definition" . + + +### http://nmrML.org/nmrCV#NMR:1400198 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "Bruker NMR instrument" ; + foaf:homepage "https://www.bruker.com/de/products/mr/nmr.html" . + + +### http://nmrML.org/nmrCV#NMR:1400199 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "For metabolism studies, and analysis of complex mixtures." ; + rdfs:label "Metabolic Profiler instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400200 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "NMR Instruments using hyphenated analytical techniques combining mass spectrometry and chromatograph." ; + rdfs:label "Hyphenated NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400201 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Capillary LC-NMR" . + + +### http://nmrML.org/nmrCV#NMR:1400203 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. + defprov: Bruker website""" ; + rdfs:label "NMR Case" . + + +### http://nmrML.org/nmrCV#NMR:1400204 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment "defneed" ; + rdfs:label "NMR tube washing system" . + + +### http://nmrML.org/nmrCV#NMR:1400205 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment """def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. + defprov: Bruker website""" ; + rdfs:label "Bruker AutoClean" . + + +### http://nmrML.org/nmrCV#NMR:1400206 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. + defprov: Bruker website + synonym: Bruker Efficient Sample Transfer NMR""" ; + rdfs:label "Bruker BEST NMR" . + + +### http://nmrML.org/nmrCV#NMR:1400207 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. + The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back + defprov: website""" ; + rdfs:label "SampleRail" . + + +### http://nmrML.org/nmrCV#NMR:1400208 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. + The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. + defprov: Bruker website""" ; + rdfs:label "SampleJet" . + + +### http://nmrML.org/nmrCV#NMR:1400209 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "Bruker autosampler" . + + +### http://nmrML.org/nmrCV#NMR:1400210 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. + defprov: Bruker website""" ; + rdfs:label "B-ACS" . + + +### http://nmrML.org/nmrCV#NMR:1400211 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment """def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. + The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. + defprov: Bruker website + synonym: Bruker Multiple Adjustable Tube Clamp Holder""" ; + rdfs:label "Bruker MATCH" . + + +### http://nmrML.org/nmrCV#NMR:1400212 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000233 ; + rdfs:comment "def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample." ; + rdfs:label "NMR sample holder" . + + +### http://nmrML.org/nmrCV#NMR:1400213 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "NMR software" . + + +### http://nmrML.org/nmrCV#NMR:1400214 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "Bruker NMR software" ; + owl:versionInfo "TODO: May need no definition." . + + +### http://nmrML.org/nmrCV#NMR:1400215 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker TopSpin software" . + + +### http://nmrML.org/nmrCV#NMR:1400217 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "SampleTrack software" . + + +### http://nmrML.org/nmrCV#NMR:1400218 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Paravision software" . + + +### http://nmrML.org/nmrCV#NMR:1400219 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AURELIA software" . + + +### http://nmrML.org/nmrCV#NMR:1400220 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AUREMOL software" . + + +### http://nmrML.org/nmrCV#NMR:1400221 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AMIX VIEWER & AMIX-TOOLS" . + + +### http://nmrML.org/nmrCV#NMR:1400223 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. + defprov: Bruker website + synonym: HR Probe""" ; + rdfs:label "high resolution probe" . + + +### http://nmrML.org/nmrCV#NMR:1400224 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The ATM option for AVANCE spectrometers is available for: + Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. + defprov: Bruker website + synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM""" ; + rdfs:label "high resolution probe with ATM" . + + +### http://nmrML.org/nmrCV#NMR:1400225 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "micro imaging probe" . + + +### http://nmrML.org/nmrCV#NMR:1400226 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "JEOL NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400227 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECX Series FT NMR instrument" ; + skos:definition "The JNM-ECX series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials." . + + +### http://nmrML.org/nmrCV#NMR:1400228 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JNM-ECA Series FT NMR instrument" ; + skos:definition "The JNM-ECA series is an FT NMR spectrometer developed making full use of the latest digital and high frequency technology. This high performance, sophisticated spectrometer designed to take advantage of high field magnet development to include 1GHz. Innovative features to support not only the conventional NMR applications such as structural analysis of molecules and evaluation of materials but also future progress of science and technologies including research for development of new drugs, postgenome research and development of new materials." . + + +### http://nmrML.org/nmrCV#NMR:1400229 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL NMR software" . + + +### http://nmrML.org/nmrCV#NMR:1400230 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Delta NMR software" . + + +### http://nmrML.org/nmrCV#NMR:1400231 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "https://www.bruker.com/products/mr/nmr/probes/probes.html" ; + rdfs:label "Bruker NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400232 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:comment "defneed" ; + rdfs:label "JEOL NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400233 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CapNMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400234 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "Varian NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400235 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian MERCURY" . + + +### http://nmrML.org/nmrCV#NMR:1400236 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian INOVA" . + + +### http://nmrML.org/nmrCV#NMR:1400237 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian UNITY" . + + +### http://nmrML.org/nmrCV#NMR:1400238 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VXR" . + + +### http://nmrML.org/nmrCV#NMR:1400239 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian GEMINI" . + + +### http://nmrML.org/nmrCV#NMR:1400240 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AMX instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400241 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "AC instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400242 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "liquid NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400243 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "solid NMR probe" . + + +### http://nmrML.org/nmrCV#NMR:1400244 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "NMR imaging probe" . + + +### http://nmrML.org/nmrCV#NMR:1400246 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "tecmag console" . + + +### http://nmrML.org/nmrCV#NMR:1400247 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network + defprov: tecmag website""" ; + rdfs:label "DISCOVERY console" . + + +### http://nmrML.org/nmrCV#NMR:1400248 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. + defprov: website""" ; + rdfs:label "tecmag EAGLE probe" . + + +### http://nmrML.org/nmrCV#NMR:1400249 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "APOLLO console" . + + +### http://nmrML.org/nmrCV#NMR:1400250 + rdf:type owl:Class ; + rdfs:subClassOf , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000304 ; + owl:hasValue + ] ; + rdfs:label "tecmag NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400251 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "CAT" . + + +### http://nmrML.org/nmrCV#NMR:1400253 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "magnetic field strength" . + + +### http://nmrML.org/nmrCV#NMR:1400254 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "defneed" ; + rdfs:label "vendor" ; + owl:versionInfo "TODO: Belongs in Ref Ontol." . + + +### http://nmrML.org/nmrCV#NMR:1400255 + rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000835 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000835 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000115 "A manufacturer that produces NMR instruments and/or their parts"@en ; + obo:IAO_0000233 ; + rdfs:label "NMR device manufacturer"@en . + + +### http://nmrML.org/nmrCV#NMR:1400262 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "def: In some cases, it is necessary or advisable to control the temperature of the sample at some value other than ambient. The sample may be only slightly solubility at room temperatures, or it may be desirable to control some aspect of the dynamics of the system. In such cases, a default temperature, or some means of selecting this parameter, can be built into the experiment." ; + rdfs:label "sample temperature information" . + + +### http://nmrML.org/nmrCV#NMR:1400267 + rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 ; + rdfs:label "data file" ; + skos:altLabel "file" ; + skos:definition "Any data file as generated by some acquisition computer or console." ; + skos:editorialNote "This is a class annotation exemplifying skos usage. We assume the rdfs:label to capture the skos:preferedLabel." ; + skos:example "an FID raw data file" ; + skos:scopeNote "In the NMR case a file generated by an NMR acquisition computer, console or NMR processing software." . + + +### http://nmrML.org/nmrCV#NMR:1400276 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "LC NMR" ; + rdfs:label "liquid chromatography NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400277 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "Includes the connection to a high-resolution TOF-LC-MS system." ; + rdfs:label "LC MS NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400278 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "SPE NMR" ; + rdfs:comment "A Solid Phase Extraction (SPE) system provides an interface between liquid chromatography (LC) and NMR. For the process of LC-SPE™ NMR a chromatographic separation is done and the peaks of interest are trapped on an individual SPE cartridge after the column. The peak selection is done either by UV detection or by evaluation of the on-line registered MS or MSn spectra." ; + rdfs:label "solid phase extraction NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400279 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment "Capillary LC-NMR is a hyphenated technique coupling capillary liquid chromatography and NMR, which increases sensitivity dramatically through the use of miniaturization of the chromatographic techniques and NMR detection volume." ; + rdfs:label "Capillary LC-NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400280 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "direct detection probe" . + + +### http://nmrML.org/nmrCV#NMR:1400281 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "indirect detection probe" . + + +### http://nmrML.org/nmrCV#NMR:1400283 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """Continuous wave NMR spectrometers are similar in principle to optical spectrometers. The sample is held in a strong magnetic field, and the frequency of the source is slowly scanned (in some instruments, the source frequency is held constant, and the field is scanned). + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm""" ; + rdfs:label "continuous wave NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400284 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:comment """In FT-NMR, all frequencies in a spectrum are irradiated simultaneously with a radio frequency pulse. Following the pulse, the nuclei return to thermal equilibrium. A time domain emission signal is recorded by the instrument as the nuclei relax. A frequency domain spectrum is obtained by Fourier transformation. + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm""" ; + rdfs:label "fourier transformation NMR instrument" . + + +### http://nmrML.org/nmrCV#NMR:1400285 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "NMR software data format" . + + +### http://nmrML.org/nmrCV#NMR:1400286 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "ChemMagnetics format" . + + +### http://nmrML.org/nmrCV#NMR:1400287 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "GE Omega format" . + + +### http://nmrML.org/nmrCV#NMR:1400288 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Lambda format" . + + +### http://nmrML.org/nmrCV#NMR:1400289 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL Alpha format" . + + +### http://nmrML.org/nmrCV#NMR:1400290 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Jeol Delta format" . + + +### http://nmrML.org/nmrCV#NMR:1400291 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL generic format" . + + +### http://nmrML.org/nmrCV#NMR:1400292 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL AL95 format" . + + +### http://nmrML.org/nmrCV#NMR:1400295 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JEOL EX format" . + + +### http://nmrML.org/nmrCV#NMR:1400296 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "TecMag format" . + + +### http://nmrML.org/nmrCV#NMR:1400297 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Varian VNMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400298 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Galactic format" . + + +### http://nmrML.org/nmrCV#NMR:1400299 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Felix format" . + + +### http://nmrML.org/nmrCV#NMR:1400300 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "JCAMP DX format" . + + +### http://nmrML.org/nmrCV#NMR:1400301 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Lybrics format" . + + +### http://nmrML.org/nmrCV#NMR:1400302 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Nuts format" . + + +### http://nmrML.org/nmrCV#NMR:1400303 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "MACNMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400304 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Nicolet GE/QE-300 format" . + + +### http://nmrML.org/nmrCV#NMR:1400305 + rdf:type owl:Class ; + rdfs:subClassOf ; + oboInOwl:hasExactSynonym "m" ; + rdfs:comment "J-coupler" ; + rdfs:label "multiplet feature" . + + +### http://nmrML.org/nmrCV#NMR:1400318 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Net CDF format" . + + +### http://nmrML.org/nmrCV#NMR:1400319 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker DISNMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400320 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker UXNMR/XWIN-NMR format" . + + +### http://nmrML.org/nmrCV#NMR:1400321 + rdf:type owl:Class ; + rdfs:subClassOf ; + rdfs:label "Bruker WIN NMR format" . + + +### http://nmrML.org/nmrCV#NMRCV:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000001 +obo:BFO_0000001 rdf:type owl:Class ; + rdfs:subClassOf owl:Thing ; + obo:BFO_0000179 "entity" ; + obo:BFO_0000180 "Entity" ; + obo:IAO_0000112 "Julius Caesar"@en , + "Verdi’s Requiem"@en , + "the Second World War"@en , + "your body mass index"@en ; + obo:IAO_0000116 "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81"@en , + "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; + obo:IAO_0000600 "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "entity"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000001 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" ; + rdfs:seeAlso + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000001 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000002 +obo:BFO_0000002 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000001 ; + owl:disjointWith obo:BFO_0000003 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom obo:BFO_0000003 + ] ; + obo:BFO_0000179 "continuant" ; + obo:BFO_0000180 "Continuant" ; + obo:IAO_0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , + "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; + obo:IAO_0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; + obo:IAO_0000601 "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en , + "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en , + "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; + obo:IAO_0000602 "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " , + "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " , + "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " , + "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000002 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000003 +obo:BFO_0000003 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000001 ; + owl:disjointWith [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom obo:BFO_0000002 + ] ; + obo:BFO_0000179 "occurrent" ; + obo:BFO_0000180 "Occurrent" ; + obo:IAO_0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , + "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , + "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , + "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; + obo:IAO_0000600 "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; + obo:IAO_0000601 "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en , + "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " , + "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "occurrent"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame." ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000003 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000004 +obo:BFO_0000004 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000002 ; + owl:disjointWith obo:BFO_0000020 , + obo:BFO_0000031 ; + obo:BFO_0000179 "ic" ; + obo:BFO_0000180 "IndependentContinuant" ; + obo:IAO_0000112 "a chair"@en , + "a heart"@en , + "a leg"@en , + "a molecule"@en , + "a spatial region"@en , + "an atom"@en , + "an orchestra."@en , + "an organism"@en , + "the bottom right portion of a human torso"@en , + "the interior of your mouth"@en ; + obo:IAO_0000115 "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; + obo:IAO_0000601 "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en , + "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; + obo:IAO_0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , + "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , + "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "independent continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000004 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000006 +obo:BFO_0000006 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000141 ; + owl:disjointWith obo:BFO_0000029 , + obo:BFO_0000140 ; + obo:BFO_0000179 "s-region" ; + obo:BFO_0000180 "SpatialRegion" ; + obo:IAO_0000116 "BFO 2 Reference: Spatial regions do not participate in processes."@en , + "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; + obo:IAO_0000600 "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; + obo:IAO_0000601 "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; + obo:IAO_0000602 "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " , + "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional."@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000006 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000008 +obo:BFO_0000008 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + owl:disjointWith obo:BFO_0000011 , + obo:BFO_0000015 , + obo:BFO_0000035 ; + obo:BFO_0000179 "t-region" ; + obo:BFO_0000180 "TemporalRegion" ; + obo:IAO_0000116 "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; + obo:IAO_0000600 "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; + obo:IAO_0000601 "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en , + "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; + obo:IAO_0000602 "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " , + "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " , + "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "temporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional"@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000008 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000009 +obo:BFO_0000009 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + owl:disjointWith obo:BFO_0000028 ; + obo:BFO_0000179 "2d-s-region" ; + obo:BFO_0000180 "TwoDimensionalSpatialRegion" ; + obo:IAO_0000112 "an infinitely thin plane in space."@en , + "the surface of a sphere-shaped part of space"@en ; + obo:IAO_0000600 "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "two-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000009 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000009 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000011 +obo:BFO_0000011 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + obo:BFO_0000179 "st-region" ; + obo:BFO_0000180 "SpatiotemporalRegion" ; + obo:IAO_0000112 "the spatiotemporal region occupied by a human life"@en , + "the spatiotemporal region occupied by a process of cellular meiosis."@en , + "the spatiotemporal region occupied by the development of a cancer tumor"@en ; + obo:IAO_0000600 "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; + obo:IAO_0000601 "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en , + "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en , + "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en , + "Every spatiotemporal region occupies_spatiotemporal_region itself."@en , + "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; + obo:IAO_0000602 "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " , + "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " , + "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " , + "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " , + "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "spatiotemporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000011 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000015 +obo:BFO_0000015 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + obo:BFO_0000179 "process" ; + obo:BFO_0000180 "Process" ; + obo:IAO_0000112 "a process of cell-division, \\ a beating of the heart"@en , + "a process of meiosis"@en , + "a process of sleeping"@en , + "the course of a disease"@en , + "the flight of a bird"@en , + "the life of an organism"@en , + "your process of aging."@en ; + obo:IAO_0000115 "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; + obo:IAO_0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; + obo:IAO_0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "process"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000015 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000015 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000016 +obo:BFO_0000016 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000017 ; + owl:disjointWith obo:BFO_0000023 ; + obo:BFO_0000179 "disposition" ; + obo:BFO_0000180 "Disposition" ; + obo:IAO_0000112 "an atom of element X has the disposition to decay to an atom of element Y"@en , + "certain people have a predisposition to colon cancer"@en , + "children are innately disposed to categorize objects in certain ways."@en , + "the cell wall is disposed to filter chemicals in endocytosis and exocytosis"@en ; + obo:IAO_0000116 "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type."@en ; + obo:IAO_0000600 "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; + obo:IAO_0000601 "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; + obo:IAO_0000602 "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " , + "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "disposition"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000016 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000017 +obo:BFO_0000017 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000020 ; + owl:disjointWith obo:BFO_0000019 ; + obo:BFO_0000179 "realizable" ; + obo:BFO_0000180 "RealizableEntity" ; + obo:IAO_0000112 "the disposition of this piece of metal to conduct electricity."@en , + "the disposition of your blood to coagulate"@en , + "the function of your reproductive organs"@en , + "the role of being a doctor"@en , + "the role of this boundary to delineate where Utah and Colorado meet"@en ; + obo:IAO_0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; + obo:IAO_0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; + obo:IAO_0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , + "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "realizable entity"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000017 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000018 +obo:BFO_0000018 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + owl:disjointWith obo:BFO_0000028 ; + obo:BFO_0000179 "0d-s-region" ; + obo:BFO_0000180 "ZeroDimensionalSpatialRegion" ; + obo:IAO_0000600 "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "zero-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000018 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000018 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000019 +obo:BFO_0000019 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000020 ; + obo:BFO_0000179 "quality" ; + obo:BFO_0000180 "Quality" ; + obo:IAO_0000112 "the ambient temperature of this portion of air"@en , + "the color of a tomato"@en , + "the length of the circumference of your waist"@en , + "the mass of this piece of gold."@en , + "the shape of your nose"@en , + "the shape of your nostril"@en ; + obo:IAO_0000600 "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; + obo:IAO_0000601 "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " , + "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "quality"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000019 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000020 +obo:BFO_0000020 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000002 ; + owl:disjointWith obo:BFO_0000031 ; + obo:BFO_0000179 "sdc" ; + obo:BFO_0000180 "SpecificallyDependentContinuant" ; + obo:IAO_0000112 "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en , + "of one-sided specifically dependent continuants: the mass of this tomato"@en , + "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en , + "the disposition of this fish to decay"@en , + "the function of this heart: to pump blood"@en , + "the mutual dependence of proton donors and acceptors in chemical reactions [79"@en , + "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction"@en , + "the pink color of a medium rare piece of grilled filet mignon at its center"@en , + "the role of being a doctor"@en , + "the shape of this hole."@en , + "the smell of this portion of mozzarella"@en ; + obo:IAO_0000115 "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; + obo:IAO_0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; + obo:IAO_0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "specifically dependent continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; + obo:IAO_0010000 ; + rdfs:comment "per discussion with Barry Smith" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000023 +obo:BFO_0000023 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000017 ; + obo:BFO_0000179 "role" ; + obo:BFO_0000180 "Role" ; + obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , + "the priest role"@en , + "the role of a boundary to demarcate two neighboring administrative territories"@en , + "the role of a building in serving as a military target"@en , + "the role of a stone in marking a property boundary"@en , + "the role of subject in a clinical trial"@en , + "the student role"@en ; + obo:IAO_0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; + obo:IAO_0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "role"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000023 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000023 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000024 +obo:BFO_0000024 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:BFO_0000179 "fiat-object-part" ; + obo:BFO_0000180 "FiatObjectPart" ; + obo:IAO_0000112 "or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29"@en , + "the FMA:regional parts of an intact human body."@en , + "the Western hemisphere of the Earth"@en , + "the division of the brain into regions"@en , + "the division of the planet into hemispheres"@en , + "the dorsal and ventral surfaces of the body"@en , + "the upper and lower lobes of the left lung"@en ; + obo:IAO_0000116 "BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions"@en ; + obo:IAO_0000600 "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; + obo:IAO_0000602 "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "fiat object part"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000024 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000024 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000026 +obo:BFO_0000026 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + owl:disjointWith obo:BFO_0000028 ; + obo:BFO_0000179 "1d-s-region" ; + obo:BFO_0000180 "OneDimensionalSpatialRegion" ; + obo:IAO_0000112 "an edge of a cube-shaped portion of space."@en ; + obo:IAO_0000600 "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "one-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000026 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000026 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000027 +obo:BFO_0000027 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:BFO_0000179 "object-aggregate" ; + obo:BFO_0000180 "ObjectAggregate" ; + obo:IAO_0000112 "a collection of cells in a blood biobank."@en , + "a swarm of bees is an aggregate of members who are linked together through natural bonds"@en , + "a symphony orchestra"@en , + "an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team)"@en , + "defined by fiat: the aggregate of members of an organization"@en , + "defined through physical attachment: the aggregate of atoms in a lump of granite"@en , + "defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container"@en , + "defined via attributive delimitations such as: the patients in this hospital"@en , + "the aggregate of bearings in a constant velocity axle joint"@en , + "the aggregate of blood cells in your body"@en , + "the nitrogen atoms in the atmosphere"@en , + "the restaurants in Palo Alto"@en , + "your collection of Meissen ceramic plates."@en ; + obo:IAO_0000116 "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " , + "BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee)."@en ; + obo:IAO_0000119 "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; + obo:IAO_0000600 "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; + obo:IAO_0000602 "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "object aggregate"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000119 ; + owl:annotatedTarget "ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158." ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000027 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000028 +obo:BFO_0000028 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000006 ; + obo:BFO_0000179 "3d-s-region" ; + obo:BFO_0000180 "ThreeDimensionalSpatialRegion" ; + obo:IAO_0000112 "a cube-shaped region of space"@en , + "a sphere-shaped region of space,"@en ; + obo:IAO_0000600 "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "three-dimensional spatial region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000028 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000028 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000029 +obo:BFO_0000029 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000141 ; + obo:BFO_0000179 "site" ; + obo:BFO_0000180 "Site" ; + obo:IAO_0000112 "Manhattan Canyon)"@en , + "a hole in the interior of a portion of cheese"@en , + "a rabbit hole"@en , + "an air traffic control region defined in the airspace above an airport"@en , + "the Grand Canyon"@en , + "the Piazza San Marco"@en , + "the cockpit of an aircraft"@en , + "the hold of a ship"@en , + "the interior of a kangaroo pouch"@en , + "the interior of the trunk of your car"@en , + "the interior of your bedroom"@en , + "the interior of your office"@en , + "the interior of your refrigerator"@en , + "the lumen of your gut"@en , + "your left nostril (a fiat part – the opening – of your left nasal cavity)"@en ; + obo:IAO_0000600 "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; + obo:IAO_0000602 "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "site"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000029 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000029 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000030 +obo:BFO_0000030 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:BFO_0000179 "object" ; + obo:BFO_0000180 "Object" ; + obo:IAO_0000112 "atom"@en , + "cell"@en , + "cells and organisms"@en , + "engineered artifacts"@en , + "grain of sand"@en , + "molecule"@en , + "organelle"@en , + "organism"@en , + "planet"@en , + "solid portions of matter"@en , + "star"@en ; + obo:IAO_0000116 "BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting."@en , + "BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below)."@en , + "BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47"@en , + "BFO 2 Reference: an object is a maximal causally unified material entity"@en , + "BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74"@en ; + obo:IAO_0000600 "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "object"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000030 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001])"@en ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000031 +obo:BFO_0000031 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000002 ; + obo:BFO_0000179 "gdc" ; + obo:BFO_0000180 "GenericallyDependentContinuant" ; + obo:IAO_0000112 "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity."@en , + "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop"@en , + "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; + obo:IAO_0000115 "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; + obo:IAO_0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "generically dependent continuant"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000031 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000031 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000034 +obo:BFO_0000034 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000016 ; + obo:BFO_0000179 "function" ; + obo:BFO_0000180 "Function" ; + obo:IAO_0000112 "the function of a hammer to drive in nails"@en , + "the function of a heart pacemaker to regulate the beating of a heart through electricity"@en , + "the function of amylase in saliva to break down starch into sugar"@en ; + obo:IAO_0000116 "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc."@en ; + obo:IAO_0000600 "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "function"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000034 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000034 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000035 +obo:BFO_0000035 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000003 ; + obo:BFO_0000179 "p-boundary" ; + obo:BFO_0000180 "ProcessBoundary" ; + obo:IAO_0000112 "the boundary between the 2nd and 3rd year of your life."@en ; + obo:IAO_0000115 "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; + obo:IAO_0000601 "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; + obo:IAO_0000602 "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " , + "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "process boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000035 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000038 +obo:BFO_0000038 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000008 ; + owl:disjointWith obo:BFO_0000148 ; + obo:BFO_0000179 "1d-t-region" ; + obo:BFO_0000180 "OneDimensionalTemporalRegion" ; + obo:IAO_0000112 "the temporal region during which a process occurs."@en ; + obo:IAO_0000116 "BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks)."@en ; + obo:IAO_0000600 "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "one-dimensional temporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000038 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000038 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000040 +obo:BFO_0000040 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000004 ; + owl:disjointWith obo:BFO_0000141 ; + obo:BFO_0000179 "material" ; + obo:BFO_0000180 "MaterialEntity" ; + obo:IAO_0000112 "a flame"@en , + "a forest fire"@en , + "a human being"@en , + "a hurricane"@en , + "a photon"@en , + "a puff of smoke"@en , + "a sea wave"@en , + "a tornado"@en , + "an aggregate of human beings."@en , + "an energy wave"@en , + "an epidemic"@en , + "the undetached arm of a human being"@en ; + obo:IAO_0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , + "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , + "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en ; + obo:IAO_0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; + obo:IAO_0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , + "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; + obo:IAO_0000602 "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " , + "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " , + "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "material entity"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000601 ; + owl:annotatedTarget "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000040 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000140 +obo:BFO_0000140 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000141 ; + obo:BFO_0000179 "cf-boundary" ; + obo:BFO_0000180 "ContinuantFiatBoundary" ; + obo:IAO_0000115 "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; + obo:IAO_0000116 "BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions."@en , + "BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29"@en , + "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; + obo:IAO_0000601 "Every continuant fiat boundary is located at some spatial region at every time at which it exists"@en ; + obo:IAO_0000602 "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions."@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000140 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000141 +obo:BFO_0000141 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000004 ; + obo:BFO_0000179 "immaterial" ; + obo:BFO_0000180 "ImmaterialEntity" ; + obo:IAO_0000116 "BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "immaterial entity"@en . + + +### http://purl.obolibrary.org/obo/BFO_0000142 +obo:BFO_0000142 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000140 ; + owl:disjointWith obo:BFO_0000146 , + obo:BFO_0000147 ; + obo:BFO_0000179 "1d-cf-boundary" ; + obo:BFO_0000180 "OneDimensionalContinuantFiatBoundary" ; + obo:IAO_0000112 "The Equator"@en , + "all geopolitical boundaries"@en , + "all lines of latitude and longitude"@en , + "the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin."@en , + "the median sulcus of your tongue"@en ; + obo:IAO_0000600 "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; + obo:IAO_0000602 "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "one-dimensional continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000142 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000142 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000144 +obo:BFO_0000144 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + owl:disjointWith obo:BFO_0000182 ; + obo:BFO_0000179 "process-profile" ; + obo:BFO_0000180 "ProcessProfile" ; + obo:IAO_0000112 "On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels"@en , + "One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance."@en , + "The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on."@en ; + obo:IAO_0000115 "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; + obo:IAO_0000600 "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; + obo:IAO_0000602 "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " , + "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "process profile"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] " ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000144 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000145 +obo:BFO_0000145 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000019 ; + obo:BFO_0000179 "r-quality" ; + obo:BFO_0000180 "RelationalQuality" ; + obo:IAO_0000112 "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en , + "a marriage bond, an instance of requited love, an obligation between one person and another."@en ; + obo:IAO_0000115 "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; + obo:IAO_0000602 "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "relational quality"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000145 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000145 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000146 +obo:BFO_0000146 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000140 ; + obo:BFO_0000179 "2d-cf-boundary" ; + obo:BFO_0000180 "TwoDimensionalContinuantFiatBoundary" ; + obo:IAO_0000600 "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; + obo:IAO_0000602 "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "two-dimensional continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000146 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000146 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000147 +obo:BFO_0000147 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000140 ; + obo:BFO_0000179 "0d-cf-boundary" ; + obo:BFO_0000180 "ZeroDimensionalContinuantFiatBoundary" ; + obo:IAO_0000112 "the geographic North Pole"@en , + "the point of origin of some spatial coordinate system."@en , + "the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet"@en ; + obo:IAO_0000116 "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; + obo:IAO_0000600 "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; + obo:IAO_0000602 "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "zero-dimensional continuant fiat boundary"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000147 ; + owl:annotatedProperty obo:IAO_0000116 ; + owl:annotatedTarget "zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona."@en ; + obo:IAO_0010000 ; + rdfs:comment "requested by Melanie Courtot" ; + rdfs:seeAlso + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000147 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000147 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000148 +obo:BFO_0000148 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000008 ; + obo:BFO_0000179 "0d-t-region" ; + obo:BFO_0000180 "ZeroDimensionalTemporalRegion" ; + obo:IAO_0000112 "a temporal region that is occupied by a process boundary"@en , + "right now"@en , + "the moment at which a child is born"@en , + "the moment at which a finger is detached in an industrial accident"@en , + "the moment of death."@en ; + obo:IAO_0000118 "temporal instant."@en ; + obo:IAO_0000600 "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; + obo:IAO_0000602 "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "zero-dimensional temporal region"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000148 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001])"@en ; + obo:IAO_0010000 + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000148 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] " ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/BFO_0000182 +obo:BFO_0000182 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000015 ; + obo:BFO_0000179 "history" ; + obo:BFO_0000180 "History" ; + obo:IAO_0000600 "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; + rdfs:isDefinedBy obo:bfo.owl ; + rdfs:label "history"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000182 ; + owl:annotatedProperty obo:IAO_0000600 ; + owl:annotatedTarget "A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001])"@en ; + obo:IAO_0010000 + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_139358 +obo:CHEBI_139358 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s)." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "isotopically modified compounds" ; + oboInOwl:id "CHEBI:139358" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "isotopically modified compound" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_139358 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "isotopically modified compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_156265 +obo:CHEBI_156265 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is methanol in which all four hydrogen atoms are replaced by deuterium. It is commonly used as a solvent in NMR spectroscopy." ; + chebi:charge "0" ; + chebi:formula "CD4O" ; + chebi:inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D" ; + chebi:inchikey "OKKJLVBELUTLKV-MZCSYVLQSA-N" ; + chebi:mass "36.066" ; + chebi:monoisotopicmass "36.05132" ; + chebi:smiles "[2H]OC([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:811-98-3" , + "PMID:19680377" , + "PMID:22819978" , + "PMID:28219117" , + "PMID:31837670" , + "Reaxys:1733278" , + "Wikipedia:Deuterated_methanol" ; + oboInOwl:hasExactSynonym "((2)H3)methan((2)H)ol" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "((2)H4)methanol" , + "CD3OD" , + "methan-d3-ol-d" , + "methyl alcohol-d4" , + "methyl-d3 alcohol d" , + "tetradeuteromethanol" , + "trideuterio deuteriooxy methane" ; + oboInOwl:id "CHEBI:156265" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "methanol-d4" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:811-98-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:811-98-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19680377" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22819978" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28219117" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31837670" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1733278" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((2)H3)methan((2)H)ol" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "((2)H4)methanol" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CD3OD" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methan-d3-ol-d" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl alcohol-d4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl-d3 alcohol d" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetradeuteromethanol" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_156265 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trideuterio deuteriooxy methane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_16134 +obo:CHEBI_16134 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms." ; + chebi:charge "0" ; + chebi:formula "H3N" ; + chebi:inchi "InChI=1S/H3N/h1H3" ; + chebi:inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-N" ; + chebi:mass "17.03056" ; + chebi:monoisotopicmass "17.02655" ; + chebi:smiles "[H]N([H])[H]" ; + oboInOwl:hasAlternativeId "CHEBI:13405" , + "CHEBI:13406" , + "CHEBI:13407" , + "CHEBI:13771" , + "CHEBI:22533" , + "CHEBI:44269" , + "CHEBI:44284" , + "CHEBI:44404" , + "CHEBI:7434" ; + oboInOwl:hasDbXref "CAS:7664-41-7" , + "Drug_Central:4625" , + "Gmelin:79" , + "HMDB:HMDB0000051" , + "KEGG:C00014" , + "KEGG:D02916" , + "KNApSAcK:C00007267" , + "MetaCyc:AMMONIA" , + "MolBase:930" , + "PDBeChem:NH3" , + "PMID:110589" , + "PMID:11139349" , + "PMID:11540049" , + "PMID:11746427" , + "PMID:11783653" , + "PMID:13753780" , + "PMID:14663195" , + "PMID:15092448" , + "PMID:15094021" , + "PMID:15554424" , + "PMID:15969015" , + "PMID:16008360" , + "PMID:16050680" , + "PMID:16348008" , + "PMID:16349403" , + "PMID:16614889" , + "PMID:16664306" , + "PMID:16842901" , + "PMID:17025297" , + "PMID:17439666" , + "PMID:17569513" , + "PMID:17737668" , + "PMID:18670398" , + "PMID:22002069" , + "PMID:22081570" , + "PMID:22088435" , + "PMID:22100291" , + "PMID:22130175" , + "PMID:22150211" , + "PMID:22240068" , + "PMID:22290316" , + "PMID:22342082" , + "PMID:22385337" , + "PMID:22443779" , + "PMID:22560242" , + "Reaxys:3587154" , + "Wikipedia:Ammonia" ; + oboInOwl:hasExactSynonym "AMMONIA" , + "Ammonia" , + "ammonia" , + "azane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Ammoniak" , + "NH3" , + "R-717" , + "[NH3]" , + "ammoniac" , + "amoniaco" , + "spirit of hartshorn" ; + oboInOwl:id "CHEBI:16134" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ammonia" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-41-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-41-7" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-41-7" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4625" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:79" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:110589" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11139349" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11540049" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11746427" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11783653" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:13753780" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:14663195" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15092448" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15094021" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15554424" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15969015" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16008360" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16050680" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16348008" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16349403" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16614889" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16664306" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16842901" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17025297" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17439666" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17569513" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17737668" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18670398" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22002069" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22081570" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22088435" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22100291" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22130175" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22150211" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22240068" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22290316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22342082" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22385337" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22443779" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22560242" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3587154" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "AMMONIA" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Ammonia" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ammonia" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "azane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ammoniak" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NH3" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NH3" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "R-717" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[NH3]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ammoniac" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "amoniaco" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "spirit of hartshorn" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_16227 +obo:CHEBI_16227 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_35568 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines." ; + chebi:charge "0" ; + chebi:formula "C5H5N" ; + chebi:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H" ; + chebi:inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N" ; + chebi:mass "79.09990" ; + chebi:monoisotopicmass "79.04220" ; + chebi:smiles "c1ccncc1" ; + oboInOwl:hasAlternativeId "CHEBI:14974" , + "CHEBI:26415" , + "CHEBI:8662" ; + oboInOwl:hasDbXref "CAS:110-86-1" , + "Gmelin:1996" , + "HMDB:HMDB0000926" , + "KEGG:C00747" , + "PDBeChem:0PY" , + "PMID:24364496" , + "PMID:24425539" , + "PMID:8070089" , + "Reaxys:103233" , + "Wikipedia:Pyridine" ; + oboInOwl:hasExactSynonym "Pyridine" , + "pyridine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Azabenzene" , + "py" ; + oboInOwl:id "CHEBI:16227" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "pyridine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-86-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-86-1" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-86-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1996" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24364496" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24425539" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8070089" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:103233" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Pyridine" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pyridine" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pyridine" ; + oboInOwl:hasDbXref "UniProt" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Azabenzene" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_16227 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "py" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176566 +obo:CHEBI_176566 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A minor stable isotope of calcium with relative atomic mass 42.95877 and 0.135 atom percent natural abundance." ; + chebi:charge "0" ; + chebi:formula "[43Ca]" ; + chebi:inchi "InChI=1S/Ca/i1+3" ; + chebi:inchikey "OYPRJOBELJOOCE-AKLPVKDBSA-N" ; + chebi:mass "42.959" ; + chebi:monoisotopicmass "42.95877" ; + chebi:smiles "[43Ca]" ; + oboInOwl:hasDbXref "CAS:14333-06-3" , + "PMID:11859764" , + "PMID:19117733" , + "PMID:20463996" , + "PMID:20574585" , + "PMID:23163540" , + "PMID:23398971" , + "PMID:24874995" , + "PMID:25306191" , + "PMID:29770988" , + "PMID:6548252" ; + oboInOwl:hasExactSynonym "((43)Ca)calcium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(43)20Ca" , + "(43)Ca" , + "(43)calcium" , + "Ca-43" , + "calcium, isotope of mass 43" , + "calcium-43" , + "calcium-43 isotope" ; + oboInOwl:id "CHEBI:176566" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "calcium-43 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14333-06-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11859764" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19117733" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20463996" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20574585" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23163540" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23398971" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24874995" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25306191" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29770988" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6548252" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((43)Ca)calcium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(43)20Ca" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(43)Ca" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(43)calcium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ca-43" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium, isotope of mass 43" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium-43" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176566 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium-43 isotope" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176572 +obo:CHEBI_176572 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of rubidium with relative atomic mass 84.91179, 72.17 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[85Rb]" ; + chebi:inchi "InChI=1S/Rb/i1+0" ; + chebi:inchikey "IGLNJRXAVVLDKE-IGMARMGPSA-N" ; + chebi:mass "84.912" ; + chebi:monoisotopicmass "84.91179" ; + chebi:smiles "[85Rb]" ; + oboInOwl:hasDbXref "CAS:13982-12-2" , + "PMID:18026483" , + "PMID:18033464" , + "PMID:18291893" , + "PMID:18382518" , + "PMID:19855587" , + "PMID:25087142" , + "PMID:32909800" , + "PMID:33709729" , + "PMID:34170158" ; + oboInOwl:hasExactSynonym "((85)Rb)rubidium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(85)37Rb" , + "(85)Rb" , + "Rb-85" , + "rubidium, isotope of mass 85" , + "rubidium-85" ; + oboInOwl:id "CHEBI:176572" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "rubidium-85 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13982-12-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18026483" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18033464" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18291893" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18382518" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19855587" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25087142" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32909800" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33709729" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34170158" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((85)Rb)rubidium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(85)37Rb" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(85)Rb" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Rb-85" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rubidium, isotope of mass 85" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176572 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rubidium-85" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176578 +obo:CHEBI_176578 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[59Co]" ; + chebi:inchi "InChI=1S/Co/i1+0" ; + chebi:inchikey "GUTLYIVDDKVIGB-IGMARMGPSA-N" ; + chebi:mass "58.933" ; + chebi:monoisotopicmass "58.93319" ; + chebi:smiles "[59Co]" ; + oboInOwl:hasDbXref "PMID:10617436" , + "PMID:10940985" , + "PMID:11421673" , + "PMID:11528329" , + "PMID:12943912" , + "PMID:19150229" , + "PMID:19421527" , + "PMID:25069794" , + "PMID:25169133" , + "PMID:26066447" , + "PMID:26641288" , + "PMID:27355901" , + "PMID:30137661" , + "PMID:31367328" , + "PMID:32478347" ; + oboInOwl:hasExactSynonym "((59)Co)cobalt" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(59)27Co" , + "(59)Co" , + "Co-59" , + "cobalt, isotope of mass 59" , + "cobalt-(59)Co" , + "cobalt-59" ; + oboInOwl:id "CHEBI:176578" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "cobalt-59 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:10617436" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:10940985" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11421673" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11528329" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:12943912" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19150229" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19421527" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25069794" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25169133" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26066447" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26641288" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27355901" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30137661" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31367328" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32478347" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((59)Co)cobalt" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(59)27Co" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(59)Co" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Co-59" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cobalt, isotope of mass 59" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cobalt-(59)Co" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176578 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cobalt-59" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176583 +obo:CHEBI_176583 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of manganese with relative atomic mass 54.93804, 100 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[55Mn]" ; + chebi:inchi "InChI=1S/Mn/i1+0" ; + chebi:inchikey "PWHULOQIROXLJO-IGMARMGPSA-N" ; + chebi:mass "54.938" ; + chebi:monoisotopicmass "54.93804" ; + chebi:smiles "[55Mn]" ; + oboInOwl:hasDbXref "PMID:20645339" , + "PMID:21058720" , + "PMID:21341708" , + "PMID:24993844" , + "PMID:25179135" , + "PMID:25891681" ; + oboInOwl:hasExactSynonym "((55)Mn)manganese" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(55)25Mn" , + "(55)Mn" , + "Mn-55" , + "manganese, isotope of mass 55" , + "manganese-55" ; + oboInOwl:id "CHEBI:176583" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "manganese-55 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20645339" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21058720" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21341708" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24993844" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25179135" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25891681" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((55)Mn)manganese" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(55)25Mn" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(55)Mn" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Mn-55" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "manganese, isotope of mass 55" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176583 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "manganese-55" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_176584 +obo:CHEBI_176584 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of arsenic with relative atomic mass 74.921596, 100 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[75As]" ; + chebi:inchi "InChI=1S/As/i1+0" ; + chebi:inchikey "RQNWIZPPADIBDY-IGMARMGPSA-N" ; + chebi:mass "74.922" ; + chebi:monoisotopicmass "74.92159" ; + chebi:smiles "[75As]" ; + oboInOwl:hasExactSynonym "((75)As)arsenic" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(75)33As" , + "(75)As" , + "As-75" , + "arsenic, isotope of mass 75" , + "arsenic-75" ; + oboInOwl:id "CHEBI:176584" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "arsenic-75 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((75)As)arsenic" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(75)33As" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(75)As" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "As-75" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "arsenic, isotope of mass 75" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_176584 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "arsenic-75" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_183318 +obo:CHEBI_183318 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups." ; + chebi:charge "0" ; + chebi:formula "C18H15P" ; + chebi:inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ; + chebi:inchikey "RIOQSEWOXXDEQQ-UHFFFAOYSA-N" ; + chebi:mass "262.292" ; + chebi:monoisotopicmass "262.09114" ; + chebi:smiles "C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1" ; + oboInOwl:hasDbXref "CAS:603-35-0" , + "Chemspider:11283" , + "HMDB:HMDB0259265" , + "PMCID:PMC8513919" , + "PMID:2531144" , + "PMID:31948233" , + "PMID:32124602" , + "PMID:32259335" , + "PMID:34260204" , + "PMID:34338057" , + "Reaxys:610776" , + "Wikipedia:Triphenylphosphine" ; + oboInOwl:hasExactSynonym "triphenylphosphane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "PP 360" , + "PPh3" , + "Ph3P" , + "TPP" , + "Triphenylphosphan" , + "Triphenylphosphin" , + "phosphorus triphenyl" , + "triphenyl phosphine" , + "triphenylphosphide" , + "triphenylphosphorus" ; + oboInOwl:id "CHEBI:183318" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "triphenylphosphine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:603-35-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:603-35-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMCID:PMC8513919" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2531144" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31948233" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32124602" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32259335" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34260204" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34338057" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:610776" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "triphenylphosphane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PP 360" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PPh3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ph3P" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TPP" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Triphenylphosphan" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Triphenylphosphin" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phosphorus triphenyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenyl phosphine" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_183318 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphorus" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193038 +obo:CHEBI_193038 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D3N" ; + chebi:inchi "InChI=1S/C2H3N/c1-2-3/h1H3/i1D3" ; + chebi:inchikey "WEVYAHXRMPXWCK-FIBGUPNXSA-N" ; + chebi:mass "44.071" ; + chebi:monoisotopicmass "44.04538" ; + chebi:smiles "N#CC([H])([H])[H]" ; + oboInOwl:hasDbXref "CAS:2206-26-0" ; + oboInOwl:hasExactSynonym "2,2,2-trideuterioacetonitrile" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Acetonitril-d3" , + "CD3CN" , + "methyl-d3 cyanide" ; + oboInOwl:id "CHEBI:193038" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "acetonitrile-d3" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2206-26-0" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "2,2,2-trideuterioacetonitrile" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Acetonitril-d3" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CD3CN" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193038 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl-d3 cyanide" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193039 +obo:CHEBI_193039 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C6D6" ; + chebi:inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D" ; + chebi:inchikey "UHOVQNZJYSORNB-MZWXYZOWSA-N" ; + chebi:mass "84.151" ; + chebi:monoisotopicmass "84.08461" ; + chebi:smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:1076-43-3" , + "Wikipedia:Deuterated_benzene" ; + oboInOwl:hasExactSynonym "((2)H6)benzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,2,3,4,5,6-hexadeuteriobenzene" , + "Benzol-d6" , + "benzene-1,2,3,4,5,6-d6" , + "hexadeuterobenzene" , + "perdeuterobenzene" ; + oboInOwl:id "CHEBI:193039" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "benzene-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1076-43-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1076-43-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((2)H6)benzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,2,3,4,5,6-hexadeuteriobenzene" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Benzol-d6" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "benzene-1,2,3,4,5,6-d6" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuterobenzene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193039 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perdeuterobenzene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193040 +obo:CHEBI_193040 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C3D7NO" ; + chebi:inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D" ; + chebi:inchikey "ZMXDDKWLCZADIW-YYWVXINBSA-N" ; + chebi:mass "80.138" ; + chebi:monoisotopicmass "80.09670" ; + chebi:smiles "O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:4472-41-7" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF" ; + oboInOwl:hasExactSynonym "1-deuterio-N,N-bis(trideuteriomethyl)formamide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "DMF-d7" , + "deuterated DMF" , + "heptadeutero-N,N-dimethylformamide" ; + oboInOwl:id "CHEBI:193040" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "N,N-dimethylformamide-d7" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:4472-41-7" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMF" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1-deuterio-N,N-bis(trideuteriomethyl)formamide" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DMF-d7" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated DMF" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193040 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "heptadeutero-N,N-dimethylformamide" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193041 +obo:CHEBI_193041 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D6OS" ; + chebi:inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3" ; + chebi:inchikey "IAZDPXIOMUYVGZ-WFGJKAKNSA-N" ; + chebi:mass "84.170" ; + chebi:monoisotopicmass "84.05160" ; + chebi:smiles "S(=O)(C([2H])([2H])[2H])C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:2206-27-1" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO" ; + oboInOwl:hasExactSynonym "trideuterio(trideuteriomethylsulfinyl)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "DMSO-d6" , + "deuterated DMSO" , + "hexadeuterodimethyl sulfoxide" ; + oboInOwl:id "CHEBI:193041" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "dimethyl sulfoxide-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2206-27-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_DMSO" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trideuterio(trideuteriomethylsulfinyl)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DMSO-d6" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated DMSO" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193041 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuterodimethyl sulfoxide" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193042 +obo:CHEBI_193042 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CD2Cl2" ; + chebi:inchi "InChI=1S/CH2Cl2/c2-1-3/h1H2/i1D2" ; + chebi:inchikey "YMWUJEATGCHHMB-DICFDUPASA-N" ; + chebi:mass "86.940" ; + chebi:monoisotopicmass "85.96591" ; + chebi:smiles "ClC(Cl)([H])[H]" ; + oboInOwl:hasDbXref "CAS:1665-00-5" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane" ; + oboInOwl:hasExactSynonym "dichloro(dideuterio)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "methylene chloride-d2" ; + oboInOwl:id "CHEBI:193042" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "dichloromethane-d2" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1665-00-5" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_dichloromethane" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dichloro(dideuterio)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193042 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methylene chloride-d2" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193043 +obo:CHEBI_193043 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D6O" ; + chebi:inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i1D3,2D2,3D" ; + chebi:inchikey "LFQSCWFLJHTTHZ-LIDOUZCJSA-N" ; + chebi:mass "52.106" ; + chebi:monoisotopicmass "52.07953" ; + chebi:smiles "O(C(C([H])([H])[H])([H])[H])[H]" ; + oboInOwl:hasDbXref "CAS:1516-08-1" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol" ; + oboInOwl:hasExactSynonym "1,1,1,2,2-pentadeuterio-2-deuteriooxyethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "deuterated ethanol" , + "ethyl-d5 alcohol-d" , + "hexadeuteroethanol" ; + oboInOwl:id "CHEBI:193043" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "ethanol-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1516-08-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_ethanol" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,1,2,2-pentadeuterio-2-deuteriooxyethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated ethanol" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ethyl-d5 alcohol-d" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193043 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuteroethanol" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193044 +obo:CHEBI_193044 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C6D5NO2" ; + chebi:inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D" ; + chebi:inchikey "LQNUZADURLCDLV-RALIUCGRSA-N" ; + chebi:mass "128.142" ; + chebi:monoisotopicmass "128.06341" ; + chebi:smiles "[O-][N+](=O)C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:4165-60-0" ; + oboInOwl:hasExactSynonym "1,2,3,4,5-pentadeuterio-6-nitrobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:193044" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "nitrobenzene-d5" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193044 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193044 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:4165-60-0" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193044 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,2,3,4,5-pentadeuterio-6-nitrobenzene" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193045 +obo:CHEBI_193045 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CD3NO2" ; + chebi:inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3" ; + chebi:inchikey "LYGJENNIWJXYER-FIBGUPNXSA-N" ; + chebi:mass "64.058" ; + chebi:monoisotopicmass "64.03521" ; + chebi:smiles "[O-][N+](=O)C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:13031-32-8" ; + oboInOwl:hasExactSynonym "trideuterio(nitro)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "deuterated nitromethane" , + "nitro(2H3)methane" ; + oboInOwl:id "CHEBI:193045" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "nitromethane-d3" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13031-32-8" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trideuterio(nitro)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated nitromethane" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193045 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitro(2H3)methane" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193046 +obo:CHEBI_193046 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_35568 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C5D5N" ; + chebi:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D" ; + chebi:inchikey "JUJWROOIHBZHMG-RALIUCGRSA-N" ; + chebi:mass "84.133" ; + chebi:monoisotopicmass "84.07358" ; + chebi:smiles "N1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:7291-22-7" ; + oboInOwl:hasExactSynonym "2,3,4,5,6-pentadeuteriopyridine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H5)pyridine" , + "deuterated pyridine" ; + oboInOwl:id "CHEBI:193046" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "pyridine-d5" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7291-22-7" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "2,3,4,5,6-pentadeuteriopyridine" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H5)pyridine" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193046 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated pyridine" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193047 +obo:CHEBI_193047 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C4D8O" ; + chebi:inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2" ; + chebi:inchikey "WYURNTSHIVDZCO-SVYQBANQSA-N" ; + chebi:mass "80.156" ; + chebi:monoisotopicmass "80.10773" ; + chebi:smiles "O1C(C(C(C1([H])[H])([H])[H])([H])[H])([H])[H]" ; + oboInOwl:hasDbXref "CAS:1693-74-9" , + "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF" ; + oboInOwl:hasExactSynonym "2,2,3,3,4,4,5,5-octadeuteriooxolane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "THF-d8" , + "deuterated THF" , + "tetrahydrofuran-d8" ; + oboInOwl:id "CHEBI:193047" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "oxolane-d8" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1693-74-9" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Deuterated_THF" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "2,2,3,3,4,4,5,5-octadeuteriooxolane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "THF-d8" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated THF" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193047 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydrofuran-d8" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193048 +obo:CHEBI_193048 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C7D8" ; + chebi:inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D" ; + chebi:inchikey "YXFVVABEGXRONW-JGUCLWPXSA-N" ; + chebi:mass "100.190" ; + chebi:monoisotopicmass "100.11281" ; + chebi:smiles "C1(=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H])C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:2037-26-5" ; + oboInOwl:hasExactSynonym "1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "octadeuterotoluene" , + "perdeuterated toluene" , + "perdeuteriotoluene" ; + oboInOwl:id "CHEBI:193048" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "toluene-d8" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2037-26-5" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "octadeuterotoluene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perdeuterated toluene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193048 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perdeuteriotoluene" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193049 +obo:CHEBI_193049 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D4O2" ; + chebi:inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD" ; + chebi:inchikey "QTBSBXVTEAMEQO-GUEYOVJQSA-N" ; + chebi:mass "64.076" ; + chebi:monoisotopicmass "64.04624" ; + chebi:smiles "O(C(=O)C([2H])([2H])[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:1186-52-3" ; + oboInOwl:hasExactSynonym "deuterio 2,2,2-trideuterioacetate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H3)acetic (2H)acid" , + "CD3COOD" , + "deuterated acetic acid" , + "tetradeuteroacetic acid" ; + oboInOwl:id "CHEBI:193049" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "acetic acid-d4" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1186-52-3" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterio 2,2,2-trideuterioacetate" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H3)acetic (2H)acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CD3COOD" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated acetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193049 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetradeuteroacetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193050 +obo:CHEBI_193050 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2DF3O2" ; + chebi:inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD" ; + chebi:inchikey "DTQVDTLACAAQTR-DYCDLGHISA-N" ; + chebi:mass "115.029" ; + chebi:monoisotopicmass "114.99914" ; + chebi:smiles "FC(F)(F)C(O[2H])=O" ; + oboInOwl:hasDbXref "CAS:599-00-8" ; + oboInOwl:hasExactSynonym "deuterio 2,2,2-trifluoroacetate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CF3COOD" , + "TFA-d" , + "deuterated trifluoroacetic acid" , + "deuterotrifluoroacetic acid" , + "trifluoroacetic acid-d" ; + oboInOwl:id "CHEBI:193050" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "trifluoroacetic acid-d1" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:599-00-8" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterio 2,2,2-trifluoroacetate" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CF3COOD" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TFA-d" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated trifluoroacetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterotrifluoroacetic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193050 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trifluoroacetic acid-d" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193131 +obo:CHEBI_193131 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C2Cl3F3" ; + chebi:inchi "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8" ; + chebi:inchikey "AJDIZQLSFPQPEY-UHFFFAOYSA-N" ; + chebi:mass "187.370" ; + chebi:monoisotopicmass "185.90177" ; + chebi:smiles "C(C(Cl)(F)F)(F)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:76-13-1" , + "Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane" ; + oboInOwl:hasExactSynonym "1,1,2-trichloro-1,2,2-trifluoroethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CFC-113" , + "Freon 113" ; + oboInOwl:id "CHEBI:193131" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "1,1,2-Trichlorotrifluoroethane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:76-13-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/1,1,2-Trichloro-1,2,2-trifluoroethane" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,2-trichloro-1,2,2-trifluoroethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CFC-113" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193131 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Freon 113" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193132 +obo:CHEBI_193132 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CD2O2" ; + chebi:inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD" ; + chebi:inchikey "BDAGIHXWWSANSR-PFUFQJKNSA-N" ; + chebi:mass "48.037" ; + chebi:monoisotopicmass "48.01803" ; + chebi:smiles "O(C(=O)[2H])[2H]" ; + oboInOwl:hasDbXref "CAS:920-42-3" ; + oboInOwl:hasExactSynonym "deuterio deuterioformate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H)formic (2)acid" , + "DCOOD" ; + oboInOwl:id "CHEBI:193132" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "formic acid-d2" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:920-42-3" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterio deuterioformate" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H)formic (2)acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193132 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DCOOD" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193133 +obo:CHEBI_193133 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "CH3DO" ; + chebi:inchi "InChI=1S/CH4O/c1-2/h2H,1H3/i2D" ; + chebi:inchikey "OKKJLVBELUTLKV-VMNATFBRSA-N" ; + chebi:mass "33.048" ; + chebi:monoisotopicmass "33.03249" ; + chebi:smiles "O(C([H])([H])[H])[H]" ; + oboInOwl:hasDbXref "CAS:1455-13-6" ; + oboInOwl:hasExactSynonym "deuteriooxymethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "methyl alcohol-d1" , + "mono-deuteromethanol" ; + oboInOwl:id "CHEBI:193133" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "methanol-d1" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:1455-13-6" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuteriooxymethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl alcohol-d1" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193133 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mono-deuteromethanol" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193134 +obo:CHEBI_193134 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D2Cl4" ; + chebi:inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1D,2D" ; + chebi:inchikey "QPFMBZIOSGYJDE-QDNHWIQGSA-N" ; + chebi:mass "169.850" ; + chebi:monoisotopicmass "167.90361" ; + chebi:smiles "ClC(Cl)(C(Cl)(Cl)[H])[H]" ; + oboInOwl:hasDbXref "CAS:33685-54-0" ; + oboInOwl:hasExactSynonym "1,1,2,2-tetrachloro-1,2-dideuterioethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TCE-d2" ; + oboInOwl:id "CHEBI:193134" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "1,1,2,2-tetrachlorethane-d2" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:33685-54-0" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,2,2-tetrachloro-1,2-dideuterioethane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193134 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TCE-d2" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193135 +obo:CHEBI_193135 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "C2D6O" ; + chebi:inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3/i1D3,2D3" ; + chebi:inchikey "LCGLNKUTAGEVQW-WFGJKAKNSA-N" ; + chebi:mass "52.106" ; + chebi:monoisotopicmass "52.07953" ; + chebi:smiles "O(C([H])([H])[H])C([H])([H])[H]" ; + oboInOwl:hasDbXref "CAS:17222-37-6" ; + oboInOwl:hasExactSynonym "trideuterio(trideuteriomethoxy)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CD3)2O" , + "dimethyl-d6 ether" ; + oboInOwl:id "CHEBI:193135" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "dimethyl ether-d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:17222-37-6" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trideuterio(trideuteriomethoxy)methane" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CD3)2O" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193135 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "dimethyl-d6 ether" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193136 +obo:CHEBI_193136 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "FHO3S" ; + chebi:inchi "InChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)" ; + chebi:inchikey "UQSQSQZYBQSBJZ-UHFFFAOYSA-N" ; + chebi:mass "100.060" ; + chebi:monoisotopicmass "99.96304" ; + chebi:smiles "S(=O)(F)(=O)O" ; + oboInOwl:hasDbXref "CAS:7789-21-1" , + "Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid" ; + oboInOwl:hasExactSynonym "sulfurofluoridic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "fluorosulfuric acid" , + "monofluorosulfuric acid" , + "perfluorosulfonic acid" ; + oboInOwl:id "CHEBI:193136" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "fluorosulfonic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-21-1" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Wikipedia:https://en.wikipedia.org/wiki/Fluorosulfuric_acid" ; + oboInOwl:source "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfurofluoridic acid" ; + oboInOwl:hasDbXref "SUBMITTER" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorosulfuric acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "monofluorosulfuric acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193136 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluorosulfonic acid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193146 +obo:CHEBI_193146 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "F5Sb" ; + chebi:inchi "InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5" ; + chebi:inchikey "VBVBHWZYQGJZLR-UHFFFAOYSA-I" ; + chebi:mass "216.752" ; + chebi:monoisotopicmass "215.89583" ; + chebi:smiles "[Sb](F)(F)(F)(F)F" ; + oboInOwl:hasDbXref "CAS:7783-70-2" , + "PMID:1113327" , + "Wikipedia:Antimony_pentafluoride" ; + oboInOwl:hasExactSynonym "antimony(V) fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Antimon(V)-fluorid" , + "pentafluoridoantimony" ; + oboInOwl:id "CHEBI:193146" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "antimony pentafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-70-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-70-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1113327" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "antimony(V) fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Antimon(V)-fluorid" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193146 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "pentafluoridoantimony" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_193148 +obo:CHEBI_193148 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "BrF5" ; + chebi:inchi "InChI=1S/BrF5/c2-1(3,4,5)6" ; + chebi:inchikey "XHVUVQAANZKEKF-UHFFFAOYSA-N" ; + chebi:mass "174.896" ; + chebi:monoisotopicmass "173.91035" ; + chebi:smiles "Br(F)(F)(F)(F)F" ; + oboInOwl:hasDbXref "CAS:7789-30-2" , + "Chemspider:23008" , + "Wikipedia:Bromine_pentafluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:193148" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "bromine pentafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193148 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193148 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-30-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_193148 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-30-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_195173 +obo:CHEBI_195173 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C6H15O3SSi.Na" ; + chebi:inchi "InChI=1S/C6H16O3SSi.Na/c1-11(2,3)6-4-5-10(7,8)9;/h4-6H2,1-3H3,(H,7,8,9);/q;+1/p-1" ; + chebi:inchikey "HWEXKRHYVOGVDA-UHFFFAOYSA-M" ; + chebi:mass "218.320" ; + chebi:monoisotopicmass "218.04089" ; + chebi:smiles "S([O-])(=O)(=O)CCC[Si](C)(C)C.[Na+]" ; + oboInOwl:hasDbXref "Chemspider:67436" , + "KEGG:D84158" ; + oboInOwl:hasExactSynonym "sodium;3-trimethylsilylpropane-1-sulonate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:195173" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_195173 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_195173 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium;3-trimethylsilylpropane-1-sulonate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_197449 +obo:CHEBI_197449 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33232 , + obo:CHEBI_51086 ; + obo:IAO_0000115 "A solvent used in nuclear magnetic resonance (NMR) spectroscopy." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NMR solvents" , + "NMR-Loesemittel" , + "NMR-Loesungsmittel" ; + oboInOwl:id "CHEBI:197449" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "NMR solvent" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_197449 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR solvents" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_197449 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR-Loesemittel" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_197449 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR-Loesungsmittel" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_228364 +obo:CHEBI_228364 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33232 ; + obo:IAO_0000115 "Any compound that produces a peak used as reference frequency in the delta chemical shift scale." ; + obo:IAO_0000233 ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NMR chemical shift reference compounds" , + "NMR chemical shift standard" , + "NMR chemical shift standards" , + "NMR internal standard" , + "NMR internal standards" , + "NMR reference standard" , + "NMR reference standards" ; + oboInOwl:id "CHEBI:228364" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "NMR chemical shift reference compound" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + rdfs:comment "\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\"." ; + rdfs:isDefinedBy + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR chemical shift reference compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR chemical shift standard" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR chemical shift standards" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR internal standard" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR internal standards" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR reference standard" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR reference standards" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_228806 +obo:CHEBI_228806 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24870 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3." ; + chebi:charge "-1" ; + chebi:formula "C6H15O3SSi" ; + chebi:inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)/p-1" ; + chebi:inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-M" ; + chebi:mass "195.330" ; + chebi:monoisotopicmass "195.05167" ; + chebi:smiles "C[Si](C)(C)CCCS([O-])(=O)=O" ; + oboInOwl:hasDbXref "PMID:34273131" , + "PMID:37904798" , + "PMID:38404187" ; + oboInOwl:hasExactSynonym "3-(trimethylsilyl)propane-1-sulfonate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "2,2-dimethyl-2-silapentane-5-sulfonate" , + "3-(trimethylsilyl)-1-propanesulfonate" , + "DSS anion" ; + oboInOwl:id "CHEBI:228806" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "3-(trimethylsilyl)propane-1-sulfonate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34273131" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37904798" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38404187" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)propane-1-sulfonate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "2,2-dimethyl-2-silapentane-5-sulfonate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)-1-propanesulfonate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_228806 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DSS anion" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229454 +obo:CHEBI_229454 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of yttrium(III)." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Y" ; + chebi:inchi "InChI=1S/3NO3.Y/c3*2-1(3)4;/q3*-1;+3" ; + chebi:inchikey "BXJPTTGFESFXJU-UHFFFAOYSA-N" ; + chebi:mass "274.918" ; + chebi:monoisotopicmass "274.86929" ; + chebi:smiles "[Y+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:10361-93-0" , + "PMID:21611672" , + "PMID:25966754" , + "PMID:28866266" , + "PMID:32349286" , + "PMID:36512970" , + "PMID:37102272" , + "Wikipedia:Yttrium(III)_nitrate" ; + oboInOwl:hasExactSynonym "yttrium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "nitric acid yttrium(3+) salt" , + "nitric acid, yttrium(3+) salt" , + "yttrium(3+) nitrate" , + "yttrium(III) nitrate" ; + oboInOwl:id "CHEBI:229454" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "yttrium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10361-93-0" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21611672" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25966754" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28866266" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32349286" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36512970" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37102272" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "yttrium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid yttrium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, yttrium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "yttrium(3+) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229454 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "yttrium(III) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229455 +obo:CHEBI_229455 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organocadmium compound that is cadmium substituted by two methyl groups." ; + chebi:charge "0" ; + chebi:formula "C2H6Cd" ; + chebi:inchi "InChI=1S/2CH3.Cd/h2*1H3;" ; + chebi:inchikey "KVVGSXJGEUULNM-UHFFFAOYSA-N" ; + chebi:mass "142.484" ; + chebi:monoisotopicmass "143.95031" ; + chebi:smiles "C[Cd]C" ; + oboInOwl:hasDbXref "CAS:506-82-1" , + "PMID:11671234" , + "PMID:1916391" , + "PMID:22295998" , + "PMID:22409081" , + "PMID:27457504" , + "PMID:28125780" , + "PMID:28613888" , + "PMID:31145405" , + "Wikipedia:Dimethylcadmium" ; + oboInOwl:hasExactSynonym "dimethylcadmium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Me2Cd" , + "cadmium(2+) carbanide" ; + oboInOwl:id "CHEBI:229455" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethylcadmium" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:506-82-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11671234" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1916391" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22295998" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22409081" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27457504" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28125780" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:28613888" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31145405" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethylcadmium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Me2Cd" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229455 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cadmium(2+) carbanide" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229456 +obo:CHEBI_229456 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "A xenon molecular entity comprising of a central xenon atom that carries four fluoro groups and one oxo group." ; + chebi:charge "0" ; + chebi:formula "F4OXe" ; + chebi:inchi "InChI=1S/F4OXe/c1-6(2,3,4)5" ; + chebi:inchikey "ONRYXFFHIXYZMZ-UHFFFAOYSA-N" ; + chebi:mass "223.286" ; + chebi:monoisotopicmass "223.89268" ; + chebi:smiles "F[Xe](F)(F)(F)=O" ; + oboInOwl:hasDbXref "CAS:13774-85-1" , + "Wikipedia:Xenon_oxytetrafluoride" ; + oboInOwl:hasExactSynonym "tetrafluoro(oxido)xenon" , + "xenon oxytetrafluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "XeOF4" , + "xenon fluoride oxide (XeF4O)" , + "xenon fluoride oxide (XeOF4)" , + "xenon monoxide tetrafluoride" , + "xenon oxide fluoride (XeOF4)" , + "xenon oxyfluoride (XeOF4)" , + "xenon tetrafluoride monoxide" , + "xenon tetrafluoride oxide" ; + oboInOwl:id "CHEBI:229456" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "xenon oxytetrafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13774-85-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetrafluoro(oxido)xenon" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "xenon oxytetrafluoride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "XeOF4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon fluoride oxide (XeF4O)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon fluoride oxide (XeOF4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon monoxide tetrafluoride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon oxide fluoride (XeOF4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon oxyfluoride (XeOF4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon tetrafluoride monoxide" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229456 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon tetrafluoride oxide" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_229457 +obo:CHEBI_229457 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C15H24O6Rh" ; + chebi:mass "403.256" ; + chebi:monoisotopicmass "403.06279" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:229457" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "rhodium acetylacetonate" . + + +### http://purl.obolibrary.org/obo/CHEBI_229458 +obo:CHEBI_229458 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of thallium(III)." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Tl" ; + chebi:inchi "InChI=1S/3NO3.Tl/c3*2-1(3)4;/q3*-1;+3" ; + chebi:inchikey "KLBIUKJOZFWCLW-UHFFFAOYSA-N" ; + chebi:mass "390.390" ; + chebi:monoisotopicmass "390.93788" ; + chebi:smiles "[Tl+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:13746-98-0" , + "PMID:12003571" , + "PMID:1219781" , + "PMID:13464463" , + "PMID:15433618" , + "PMID:20377233" , + "PMID:20472438" , + "PMID:25891454" , + "PMID:33577652" , + "PMID:38104746" , + "Wikipedia:Thallium(III)_nitrate" ; + oboInOwl:hasExactSynonym "thallium(3+) trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Tl(NO3)3" , + "nitric acid thallium(3+) salt" , + "nitric acid, thallium(3+) salt" , + "nitric acid, thallium(3+) salt (3:1)" , + "thallic nitrate" , + "thallium nitrate" , + "thallium trinitrate" , + "trinitric acid thallium(III) salt" ; + oboInOwl:id "CHEBI:229458" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "thallium(III) nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13746-98-0" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:12003571" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1219781" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:13464463" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15433618" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20377233" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20472438" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25891454" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33577652" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38104746" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "thallium(3+) trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tl(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid thallium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, thallium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, thallium(3+) salt (3:1)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "thallic nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "thallium nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "thallium trinitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_229458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trinitric acid thallium(III) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231495 +obo:CHEBI_231495 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C4H10O.BF3" ; + chebi:inchi "InChI=1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;" ; + chebi:inchikey "KZMGYPLQYOPHEL-UHFFFAOYSA-N" ; + chebi:mass "141.930" ; + chebi:monoisotopicmass "142.07768" ; + chebi:smiles "B(F)(F)F.O(CC)CC" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "BF3.Et2O" ; + oboInOwl:id "CHEBI:231495" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Boron trifluoride etherate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231495 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "BF3.Et2O" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231498 +obo:CHEBI_231498 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic nitrate salt having Sc(3+) as the counterion." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Sc" ; + chebi:inchi "InChI=1S/3NO3.Sc/c3*2-1(3)4;/q3*-1;+3" ; + chebi:inchikey "DFCYEXJMCFQPPA-UHFFFAOYSA-N" ; + chebi:mass "230.968" ; + chebi:monoisotopicmass "230.91936" ; + chebi:smiles "[Sc+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "PMID:23350751" , + "PMID:30080026" , + "PMID:35335383" , + "Wikipedia:13465-60-6" , + "Wikipedia:Scandium_nitrate" ; + oboInOwl:hasExactSynonym "scandium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Sc(NO3)3" , + "nitric acid scandium(3+) salt" , + "nitric acid, scandium(3+) salt" , + "scandium nitrate (Sc(NO3)3)" , + "scandium(3+) nitrate" , + "scandium(3+) trinitrate" , + "scandium(III) nitrate" , + "tris(nitrato-O,O')scandium" ; + oboInOwl:id "CHEBI:231498" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "scandium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23350751" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30080026" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35335383" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "scandium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sc(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid scandium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, scandium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium nitrate (Sc(NO3)3)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium(3+) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium(3+) trinitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium(III) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231498 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tris(nitrato-O,O')scandium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231499 +obo:CHEBI_231499 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 ; + obo:IAO_0000115 "A titanium molecular entity that is titanium which carries 4 chlorine atoms." ; + chebi:charge "0" ; + chebi:formula "Cl4Ti" ; + chebi:inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4" ; + chebi:inchikey "XJDNKRIXUMDJCW-UHFFFAOYSA-J" ; + chebi:mass "189.670" ; + chebi:monoisotopicmass "187.82335" ; + chebi:smiles "Cl[Ti](Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:7550-45-0" , + "PMID:30210541" , + "PMID:31459120" , + "PMID:32551348" , + "PMID:32775858" , + "PMID:33403630" , + "PMID:33511532" , + "PMID:33715746" , + "PMID:34252674" , + "PMID:34380292" , + "PMID:34528791" , + "PMID:35166548" , + "PMID:35613484" , + "PMID:36272804" , + "PMID:36415852" , + "PMID:36615254" , + "PMID:36615464" , + "PMID:36758354" , + "PMID:36982242" , + "PMID:37582091" , + "PMID:37629812" , + "PMID:37931042" , + "PMID:38282685" , + "PMID:38334535" , + "PMID:38398529" , + "PMID:38656102" , + "PMID:7378496" , + "Wikipedia:Titanium_tetrachloride" ; + oboInOwl:hasExactSynonym "titanium(4+) tetrachloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TiCl4" , + "tetrachlorotitanium" , + "titanium chloride" , + "titanium chloride (TiCl4)" , + "titanium(IV) chloride" , + "titanium(IV) tetrachloride" ; + oboInOwl:id "CHEBI:231499" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "titanium tetrachloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7550-45-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30210541" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31459120" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32551348" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32775858" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33403630" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33511532" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33715746" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34252674" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34380292" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34528791" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35166548" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35613484" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36272804" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36415852" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36615254" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36615464" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36758354" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36982242" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37582091" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37629812" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37931042" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38282685" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38334535" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38398529" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38656102" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7378496" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "titanium(4+) tetrachloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TiCl4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrachlorotitanium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium chloride (TiCl4)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium(IV) chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231499 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "titanium(IV) tetrachloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231500 +obo:CHEBI_231500 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "Cl3OV" ; + chebi:inchi "InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3" ; + chebi:inchikey "JBIQAPKSNFTACH-UHFFFAOYSA-K" ; + chebi:mass "173.290" ; + chebi:monoisotopicmass "171.84543" ; + chebi:smiles "[V](Cl)(=O)(Cl)Cl" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231500" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Vanadium oxytrichloride" . + + +### http://purl.obolibrary.org/obo/CHEBI_231502 +obo:CHEBI_231502 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 ; + chebi:charge "0" ; + chebi:formula "CN.CN.CN.CN.CN.CN.Co.K.K.K" ; + chebi:inchi "InChI=1S/6CN.Co.3K/c6*1-2;;;;/q6*-1;+3;3*+1" ; + chebi:inchikey "LGRDAQPMSDIUQJ-UHFFFAOYSA-N" ; + chebi:mass "332.336" ; + chebi:monoisotopicmass "331.84276" ; + chebi:smiles "[Co+3].N#[C-].N#[C-].[C-]#N.[K+].[K+].[K+].[C-]#N.[C-]#N.[C-]#N" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231502" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium cobalticyanide" . + + +### http://purl.obolibrary.org/obo/CHEBI_231503 +obo:CHEBI_231503 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "C2H3N.C2H3N.C2H3N.C2H3N.ClO4.Cu" ; + chebi:inchi "InChI=1S/4C2H3N.ClHO4.Cu/c4*1-2-3;2-1(3,4)5;/h4*1H3;(H,2,3,4,5);/q;;;;;+1/p-1" ; + chebi:inchikey "FXYIJMLSVDZYOJ-UHFFFAOYSA-M" ; + chebi:mass "327.200" ; + chebi:monoisotopicmass "325.98431" ; + chebi:smiles "Cl([O-])(=O)(=O)=O.[Cu+].C(#N)C.C(#N)C.C(#N)C.C(#N)C" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231503" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Cu(MeCN)4ClO4" . + + +### http://purl.obolibrary.org/obo/CHEBI_231504 +obo:CHEBI_231504 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "An inorganic nitrate salt having zinc(2+) as the couterion." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.Zn" ; + chebi:inchi "InChI=1S/2NO3.Zn/c2*2-1(3)4;/q2*-1;+2" ; + chebi:inchikey "ONDPHDOFVYQSGI-UHFFFAOYSA-N" ; + chebi:mass "189.390" ; + chebi:monoisotopicmass "187.90478" ; + chebi:smiles "[Zn++].[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:7779-88-6" , + "PMID:26491297" , + "PMID:31398835" , + "PMID:35057288" , + "PMID:35685711" , + "PMID:37828577" , + "PMID:38356607" , + "Wikipedia:Zinc_nitrate" ; + oboInOwl:hasExactSynonym "zinc dinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Zn(NO3)2" , + "nitric acid zinc salt" , + "nitric acid, zinc salt" , + "zinc(II) nitrate" ; + oboInOwl:id "CHEBI:231504" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "zinc nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7779-88-6" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26491297" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31398835" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35057288" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35685711" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37828577" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38356607" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "zinc dinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Zn(NO3)2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid zinc salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, zinc salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231504 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "zinc(II) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231505 +obo:CHEBI_231505 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of gallium." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Ga" ; + chebi:inchi "InChI=1S/Ga.3NO3/c;3*2-1(3)4/q+3;3*-1" ; + chebi:inchikey "CHPZKNULDCNCBW-UHFFFAOYSA-N" ; + chebi:mass "255.735" ; + chebi:monoisotopicmass "254.88903" ; + chebi:smiles "[Ga+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasAlternativeId "CHEBI:5269" ; + oboInOwl:hasDbXref "CAS:13494-90-1" , + "DrugBank:DB05260" , + "PMID:23959335" , + "PMID:24060870" , + "PMID:24656780" , + "PMID:26055478" , + "PMID:26149986" , + "PMID:26369125" , + "PMID:26647856" , + "PMID:26885514" , + "PMID:27027708" , + "PMID:29394029" , + "PMID:31216793" , + "PMID:31264851" , + "PMID:31475514" , + "PMID:31773196" , + "PMID:32845117" , + "PMID:32896958" , + "PMID:33078927" , + "PMID:33257448" , + "PMID:33715736" , + "PMID:34065605" , + "PMID:34133200" , + "PMID:34346692" , + "PMID:34775292" , + "PMID:35564180" , + "PMID:36049087" , + "PMID:36385992" , + "PMID:36621329" , + "PMID:37272820" , + "PMID:37471668" , + "PMID:38672503" , + "PMID:7428136" , + "Wikipedia:Gallium_nitrate" ; + oboInOwl:hasExactSynonym "gallium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Ga(NO3)3" , + "Ganite" , + "gallium nitrate anhydrous" , + "gallium(III) nitrate" , + "nitric acid gallium salt" , + "nitric acid, gallium salt" ; + oboInOwl:id "CHEBI:231505" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "gallium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13494-90-1" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23959335" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24060870" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24656780" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26055478" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26149986" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26369125" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26647856" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26885514" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27027708" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29394029" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31216793" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31264851" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31475514" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31773196" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32845117" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32896958" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33078927" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33257448" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33715736" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34065605" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34133200" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34346692" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34775292" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35564180" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36049087" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36385992" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36621329" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37272820" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37471668" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38672503" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7428136" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "gallium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ga(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ganite" ; + oboInOwl:hasDbXref "DrugBank" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "gallium nitrate anhydrous" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "gallium(III) nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid gallium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231505 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, gallium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231506 +obo:CHEBI_231506 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organogermanium compound that is germanium which carries four methyl groups." ; + chebi:charge "0" ; + chebi:formula "C4H12Ge" ; + chebi:inchi "InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3" ; + chebi:inchikey "ZRLCXMPFXYVHGS-UHFFFAOYSA-N" ; + chebi:mass "132.770" ; + chebi:monoisotopicmass "134.01508" ; + chebi:smiles "C[Ge](C)(C)C" ; + oboInOwl:hasDbXref "CAS:865-52-1" , + "PMID:15112560" , + "PMID:15913252" , + "PMID:16610821" , + "PMID:20305357" , + "PMID:23753000" , + "PMID:26617304" , + "PMID:30849877" ; + oboInOwl:hasExactSynonym "tetramethylgermane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)4Ge" , + "Ge(CH3)4" , + "Me4Ge" , + "tetramethyl germanium" , + "tetramethylgermanium" ; + oboInOwl:id "CHEBI:231506" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylgermane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:865-52-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15112560" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15913252" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16610821" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20305357" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23753000" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26617304" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30849877" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylgermane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)4Ge" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ge(CH3)4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Me4Ge" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethyl germanium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231506 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethylgermanium" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231507 +obo:CHEBI_231507 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "AsF6.Na" ; + chebi:inchi "InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1" ; + chebi:inchikey "NFXMAZFYHDSPPB-UHFFFAOYSA-N" ; + chebi:mass "211.902" ; + chebi:monoisotopicmass "211.90178" ; + chebi:smiles "[As-](F)(F)(F)(F)(F)F.[Na+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231507" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Sodium hexafluoroarsenate" . + + +### http://purl.obolibrary.org/obo/CHEBI_231508 +obo:CHEBI_231508 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C10H10Cl2Zr" ; + chebi:inchi "InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2" ; + chebi:inchikey "QRUYYSPCOGSZGQ-UHFFFAOYSA-L" ; + chebi:mass "292.310" ; + chebi:monoisotopicmass "289.92066" ; + chebi:smiles "[Zr](Cl)(C1C=CC=C1)(C2C=CC=C2)Cl" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231508" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Zirconocene dichloride" . + + +### http://purl.obolibrary.org/obo/CHEBI_231509 +obo:CHEBI_231509 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "H4N.O4Tc" ; + chebi:inchi "InChI=1S/H3N.4O.Tc/h1H3;;;;;/q;;;;-1;/p+1" ; + chebi:inchikey "WJULHBIORCQBSY-UHFFFAOYSA-O" ; + chebi:mass "179.040" ; + chebi:monoisotopicmass "179.01000" ; + chebi:smiles "[Tc](=O)([O-])(=O)=O.[NH4+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231509" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Ammonium pertechnetate" . + + +### http://purl.obolibrary.org/obo/CHEBI_231510 +obo:CHEBI_231510 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C6N6Ru.K.K.K.K" ; + chebi:inchi "InChI=1S/6CN.4K.Ru/c6*1-2;;;;;/q6*-1;4*+1;+2" ; + chebi:inchikey "FRCBOHAGKUJBHE-UHFFFAOYSA-N" ; + chebi:mass "413.570" ; + chebi:monoisotopicmass "413.77761" ; + chebi:smiles "[CH-](#N)[Ru+2]([CH-]#N)([CH-]#N)([CH-]#N)([CH-]#N)[CH-]#N.[K+].[K+].[K+].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231510" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium hexacyanoruthenate(ii)" . + + +### http://purl.obolibrary.org/obo/CHEBI_231511 +obo:CHEBI_231511 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "Cl6Pd.K.K" ; + chebi:inchi "InChI=1S/6ClH.2K.Pd/h6*1H;;;/q;;;;;;2*+1;+4/p-6" ; + chebi:inchikey "OEDRXJBJMMJUSV-UHFFFAOYSA-H" ; + chebi:mass "397.320" ; + chebi:monoisotopicmass "393.64401" ; + chebi:smiles "[Pd-2](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231511" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium hexachloropalladate(IV)" . + + +### http://purl.obolibrary.org/obo/CHEBI_231512 +obo:CHEBI_231512 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The trinitrate salt of indium." ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.In" ; + chebi:inchi "InChI=1S/In.3NO3/c;3*2-1(3)4/q+3;3*-1" ; + chebi:inchikey "LKRFCKCBYVZXTC-UHFFFAOYSA-N" ; + chebi:mass "300.830" ; + chebi:monoisotopicmass "300.86733" ; + chebi:smiles "[In+3].[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:13770-61-1" , + "PMID:31152235" , + "PMID:38456408" , + "PMID:38787340" , + "Wikipedia:Indium(III)_nitrate" ; + oboInOwl:hasExactSynonym "indium trinitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "In(NO3)3" , + "indium nitrate" , + "indium(III) nitrate anhydrous" , + "nitric acid indium(3+) salt" , + "nitric acid, indium(3+) salt" ; + oboInOwl:id "CHEBI:231512" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "indium(III) nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13770-61-1" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31152235" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38456408" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38787340" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "indium trinitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "In(NO3)3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "indium nitrate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "indium(III) nitrate anhydrous" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid indium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231512 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, indium(3+) salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231513 +obo:CHEBI_231513 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "Cl6Sb.K" ; + chebi:inchi "InChI=1S/6ClH.K.Sb/h6*1H;;/q;;;;;;+1;+5/p-6" ; + chebi:inchikey "QWPXFQMWSGNALL-UHFFFAOYSA-H" ; + chebi:mass "373.560" ; + chebi:monoisotopicmass "369.68063" ; + chebi:smiles "[Sb-](Cl)(Cl)(Cl)(Cl)(Cl)Cl.[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231513" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Kaliumhexachloroantimonat(V)" . + + +### http://purl.obolibrary.org/obo/CHEBI_231514 +obo:CHEBI_231514 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "The inorganic nitrate salt of caesium." ; + chebi:charge "0" ; + chebi:formula "NO3.Cs" ; + chebi:inchi "InChI=1S/Cs.NO3/c;2-1(3)4/q+1;-1" ; + chebi:inchikey "NLSCHDZTHVNDCP-UHFFFAOYSA-N" ; + chebi:mass "194.909" ; + chebi:monoisotopicmass "194.89327" ; + chebi:smiles "[Cs+].[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:7789-18-6" , + "PMID:10855667" , + "PMID:11080873" , + "PMID:16755612" , + "PMID:17117865" , + "PMID:30151534" , + "PMID:35411853" , + "Wikipedia:Caesium_nitrate" ; + oboInOwl:hasExactSynonym "caesium nitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CsNO3" , + "cesium nitrate" , + "nitric acid cesium salt" , + "nitric acid, cesium salt" ; + oboInOwl:id "CHEBI:231514" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "caesium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-18-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:10855667" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11080873" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16755612" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17117865" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30151534" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35411853" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "caesium nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CsNO3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cesium nitrate" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid cesium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid, cesium salt" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231515 +obo:CHEBI_231515 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "The trichloride salt of lanthanum." ; + chebi:charge "0" ; + chebi:formula "Cl3La" ; + chebi:inchi "InChI=1S/3ClH.La/h3*1H;/q;;;+3/p-3" ; + chebi:inchikey "ICAKDTKJOYSXGC-UHFFFAOYSA-K" ; + chebi:mass "245.260" ; + chebi:monoisotopicmass "243.81292" ; + chebi:smiles "Cl[La](Cl)Cl" ; + oboInOwl:hasDbXref "CAS:10099-58-8" , + "PMID:25048927" , + "PMID:29698762" , + "PMID:30116365" , + "PMID:30617363" , + "PMID:31187842" , + "PMID:31776842" , + "PMID:32461997" , + "PMID:33206094" , + "PMID:34688703" , + "PMID:34977076" , + "PMID:35303612" , + "PMID:35661286" , + "PMID:35727352" , + "PMID:35809677" , + "PMID:36006215" , + "PMID:37767339" , + "PMID:37837874" , + "PMID:38222531" , + "PMID:38322316" , + "Wikipedia:Lanthanum(III)_chloride" ; + oboInOwl:hasExactSynonym "lanthanum trichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "LaCl3" , + "lanthanum chloride" , + "lanthanum chloride (LaCl3)" , + "lanthanum(III) chloride" ; + oboInOwl:id "CHEBI:231515" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lanthanum trichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30116365" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30617363" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31187842" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31776842" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32461997" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33206094" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34688703" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34977076" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35303612" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35661286" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35727352" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35809677" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:36006215" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37767339" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37837874" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38222531" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38322316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lanthanum trichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "LaCl3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum chloride (LaCl3)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum(III) chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10099-58-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25048927" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231515 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29698762" ; + oboInOwl:source "Europe PMC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231529 +obo:CHEBI_231529 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is tetramethylsilane in which the twelve hydrogens are replaced by deuterium." ; + chebi:charge "0" ; + chebi:formula "C4D12Si" ; + chebi:inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3/i1D3,2D3,3D3,4D3" ; + chebi:inchikey "CZDYPVPMEAXLPK-MGKWXGLJSA-N" ; + chebi:mass "100.298" ; + chebi:monoisotopicmass "100.14615" ; + chebi:smiles "[2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:18145-38-5" ; + oboInOwl:hasExactSynonym "tetrakis[((2)H3)methyl]silane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CD3)4Si" , + "TMS-d12" , + "tetra((2)H3)methylsilane" , + "tetra(methyl-d3)silane" , + "tetrakis(trideuteriomethyl)silane" , + "tetrakis(trideuteromethyl)silane" , + "tetramethylsilane (TMS)-d12" ; + oboInOwl:id "CHEBI:231529" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylsilane-d12" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:18145-38-5" ; + oboInOwl:source "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetrakis[((2)H3)methyl]silane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CD3)4Si" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMS-d12" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetra((2)H3)methylsilane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetra(methyl-d3)silane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrakis(trideuteriomethyl)silane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrakis(trideuteromethyl)silane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231529 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethylsilane (TMS)-d12" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_231536 +obo:CHEBI_231536 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "Cl.Cl.Cl.Cl.Cl.Cl.K.Ta" ; + chebi:inchi "InChI=1S/6ClH.K.Ta/h6*1H;;/q;;;;;;+1;+5/p-6" ; + chebi:inchikey "WLOUZLJQZAAGJG-UHFFFAOYSA-H" ; + chebi:mass "432.750" ; + chebi:monoisotopicmass "429.72482" ; + chebi:smiles "[Ta+5].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231536" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium;tantalum(5+);hexachloride" . + + +### http://purl.obolibrary.org/obo/CHEBI_231537 +obo:CHEBI_231537 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 ; + chebi:charge "0" ; + chebi:formula "O4Re.K" ; + chebi:inchi "InChI=1S/K.4O.Re/q+1;;;;-1;" ; + chebi:inchikey "QFKRWIFGDGKWLM-UHFFFAOYSA-N" ; + chebi:mass "289.301" ; + chebi:monoisotopicmass "289.89911" ; + chebi:smiles "[Re](=O)(=O)(=O)[O-].[K+]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231537" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Potassium perrhenate" . + + +### http://purl.obolibrary.org/obo/CHEBI_231538 +obo:CHEBI_231538 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "NO3.NO3.NO3.Bi" ; + chebi:inchi "InChI=1S/Bi.3NO3/c;3*2-1(3)4/q+3;3*-1" ; + chebi:inchikey "PPNKDDZCLDMRHS-UHFFFAOYSA-N" ; + chebi:mass "394.992" ; + chebi:monoisotopicmass "394.94385" ; + chebi:smiles "[Bi+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:231538" ; + oboInOwl:inSubset chebi2:_STAR ; + rdfs:label "Bismut(III)-nitrat" . + + +### http://purl.obolibrary.org/obo/CHEBI_231541 +obo:CHEBI_231541 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "Cl6Nb.K" ; + chebi:inchi "InChI=1S/6ClH.K.Nb/h6*1H;;/q;;;;;;+1;+5/p-6" ; + chebi:inchikey "GCHPLIDUVOJGPP-UHFFFAOYSA-H" ; + chebi:mass "344.700" ; + chebi:monoisotopicmass "341.68319" ; + chebi:smiles "[K+].Cl[Nb-](Cl)(Cl)(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "PMCID:PMC7157447" ; + oboInOwl:hasExactSynonym "potassium hexachloroniobate(1-)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "KNbCl6" , + "K[NbCl6]" ; + oboInOwl:id "CHEBI:231541" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium hexachloroniobate(1-)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMCID:PMC7157447" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium hexachloroniobate(1-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "KNbCl6" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231541 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "K[NbCl6]" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_23367 +obo:CHEBI_23367 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000115 "Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity." ; + oboInOwl:hasExactSynonym "molecular entity" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "entidad molecular" , + "entidades moleculares" , + "entite moleculaire" , + "molecular entities" , + "molekulare Entitaet" ; + oboInOwl:id "CHEBI:23367" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "molecular entity" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "entidad molecular" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "entidades moleculares" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "entite moleculaire" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "molecular entities" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_23367 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "molekulare Entitaet" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_24835 +obo:CHEBI_24835 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity that contains no carbon." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "anorganische Verbindungen" , + "inorganic compounds" , + "inorganic entity" , + "inorganic molecular entities" , + "inorganics" ; + oboInOwl:id "CHEBI:24835" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "inorganic molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "anorganische Verbindungen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganic compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganic entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganic molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24835 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "inorganics" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_24870 +obo:CHEBI_24870 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity having a net electric charge." ; + oboInOwl:hasExactSynonym "Ion" , + "ion" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Ionen" , + "iones" , + "ions" ; + oboInOwl:id "CHEBI:24870" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ion" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Ion" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ion" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ion" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ionen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "iones" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_24870 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ions" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_26078 +obo:CHEBI_26078 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." ; + chebi:charge "0" ; + chebi:formula "H3O4P" ; + chebi:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" ; + chebi:inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" ; + chebi:mass "97.99520" ; + chebi:monoisotopicmass "97.97690" ; + chebi:smiles "[H]OP(=O)(O[H])O[H]" ; + oboInOwl:hasDbXref "CAS:7664-38-2" , + "Drug_Central:4478" , + "Gmelin:2000" , + "HMDB:HMDB0002142" , + "KEGG:C00009" , + "KEGG:D05467" , + "KNApSAcK:C00007408" , + "PMID:11455380" , + "PMID:15630224" , + "PMID:17439666" , + "PMID:17518491" , + "PMID:22282755" , + "PMID:22333268" , + "PMID:22381614" , + "PMID:22401268" , + "Reaxys:1921286" , + "Wikipedia:Phosphoric_Acid" ; + oboInOwl:hasExactSynonym "Phosphoric acid" , + "phosphoric acid" , + "tetraoxophosphoric acid" , + "trihydrogen tetraoxophosphate(3-)" , + "trihydroxidooxidophosphorus" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "H3PO4" , + "Orthophosphoric acid" , + "Phosphate" , + "Phosphorsaeure" , + "Phosphorsaeureloesungen" , + "[PO(OH)3]" , + "acide phosphorique" , + "acidum phosphoricum" , + "orthophosphoric acid" ; + oboInOwl:id "CHEBI:26078" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "phosphoric acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-38-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-38-2" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-38-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4478" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2000" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11455380" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15630224" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17439666" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17518491" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22282755" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22333268" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22381614" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22401268" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1921286" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Phosphoric acid" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "phosphoric acid" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetraoxophosphoric acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trihydrogen tetraoxophosphate(3-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trihydroxidooxidophosphorus" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "H3PO4" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Orthophosphoric acid" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphate" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphorsaeure" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphorsaeureloesungen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[PO(OH)3]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acide phosphorique" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acidum phosphoricum" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26078 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "orthophosphoric acid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_26710 +obo:CHEBI_26710 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic chloride salt having sodium(1+) as the counterion." ; + chebi:charge "0" ; + chebi:formula "ClNa" ; + chebi:inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" ; + chebi:inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" ; + chebi:mass "58.44247" ; + chebi:monoisotopicmass "57.95862" ; + chebi:smiles "[Na+].[Cl-]" ; + oboInOwl:hasDbXref "CAS:7647-14-5" , + "Gmelin:13673" , + "KEGG:C13563" , + "KEGG:D02056" , + "MetaCyc:NACL" , + "PPDB:595" , + "Reaxys:3534976" , + "Wikipedia:Sodium_Chloride" ; + oboInOwl:hasExactSynonym "sodium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Kochsalz" , + "NaCl" , + "Natriumchlorid" , + "chlorure de sodium" , + "cloruro sodico" , + "common salt" , + "halite" , + "natrii chloridum" , + "rock salt" , + "salt" , + "table salt" ; + oboInOwl:id "CHEBI:26710" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-14-5" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-14-5" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-14-5" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:13673" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3534976" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium chloride" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kochsalz" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NaCl" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Natriumchlorid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "chlorure de sodium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cloruro sodico" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "common salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "halite" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "natrii chloridum" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rock salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_26710 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "table salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29228 +obo:CHEBI_29228 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A diatomic molecule containing covalently bonded hydrogen and fluorine atoms." ; + chebi:charge "0" ; + chebi:formula "FH" ; + chebi:inchi "InChI=1S/FH/h1H" ; + chebi:inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-N" ; + chebi:mass "20.00634" ; + chebi:monoisotopicmass "20.00623" ; + chebi:smiles "F[H]" ; + oboInOwl:hasDbXref "CAS:7664-39-3" , + "Drug_Central:4499" , + "Gmelin:166" , + "KEGG:C16487" ; + oboInOwl:hasExactSynonym "Hydrogen fluoride" , + "fluorane" , + "fluoridohydrogen" , + "hydrogen fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Fluoride" , + "Fluorwasserstoff" , + "HF" , + "Hydrogenfluorid" , + "[HF]" , + "fluorure d'hydrogene" , + "hydrofluoric acid" ; + oboInOwl:id "CHEBI:29228" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "hydrogen fluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-39-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-39-3" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7664-39-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4499" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:166" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Hydrogen fluoride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluorane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluoridohydrogen" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "hydrogen fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluoride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorwasserstoff" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "HF" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Hydrogenfluorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[HF]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorure d'hydrogene" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29228 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrofluoric acid" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29236 +obo:CHEBI_29236 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of hydrogen with relative atomic mass 1.007825 and a natural abundance of 99.9885 atom percent (from Greek pirhoomegatauomicronsigma, first)." ; + chebi:charge "0" ; + chebi:formula "[1H]" ; + chebi:inchi "InChI=1S/H/i1+0" ; + chebi:inchikey "YZCKVEUIGOORGS-IGMARMGPSA-N" ; + chebi:mass "1.008" ; + chebi:monoisotopicmass "1.00783" ; + chebi:smiles "[1H]" ; + oboInOwl:hasExactSynonym "protium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(1)1H" , + "(1)H" , + "hydrogen-1" , + "protio" , + "protium" ; + oboInOwl:id "CHEBI:29236" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "protium atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "protium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(1)1H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(1)H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrogen-1" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "protio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "protium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29237 +obo:CHEBI_29237 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of hydrogen with relative atomic mass 2.014102 and a natural abundance of 0.0115 atom percent (from Greek deltaepsilonupsilontauepsilonrhoomicronnu, second)." ; + chebi:charge "0" ; + chebi:formula "D" ; + chebi:inchi "InChI=1S/H2/h1H/i1+1" ; + chebi:inchikey "UFHFLCQGNIYNRP-OUBTZVSYSA-N" ; + chebi:mass "2.014" ; + chebi:monoisotopicmass "2.01410" ; + chebi:smiles "[2H]" ; + oboInOwl:hasExactSynonym "deuterium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2)1H" , + "(2)H" , + "D" , + "Deuterium" , + "deuterio" , + "deuterium" , + "heavy hydrogen" , + "hidrogeno pesado" , + "hydrogen-2" , + "schwerer Wasserstoff" ; + oboInOwl:id "CHEBI:29237" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "deuterium atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "deuterium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)1H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "D" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Deuterium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "heavy hydrogen" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hidrogeno pesado" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrogen-2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29237 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "schwerer Wasserstoff" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_29238 +obo:CHEBI_29238 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33250 ; + obo:IAO_0000115 "The radioactive isotope of hydrogen with relative atomic mass 3.016049 and half-life of 12.33 years (from Greek taurhoiotatauomicronsigma, third)." ; + chebi:charge "0" ; + chebi:formula "T" ; + chebi:inchi "InChI=1S/H2/h1H/i1+2" ; + chebi:inchikey "UFHFLCQGNIYNRP-NJFSPNSNSA-N" ; + chebi:mass "3.016" ; + chebi:monoisotopicmass "3.01605" ; + chebi:smiles "[3H]" ; + oboInOwl:hasExactSynonym "tritium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(3)1H" , + "(3)H" , + "T" , + "hydrogen-3" , + "tritio" , + "tritium" , + "ueberschwerer Wasserstoff" ; + oboInOwl:id "CHEBI:29238" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tritium atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tritium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)1H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)H" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "T" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hydrogen-3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tritio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tritium" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_29238 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ueberschwerer Wasserstoff" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30183 +obo:CHEBI_30183 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C4H12Pb" ; + chebi:inchi "InChI=1S/4CH3.Pb/h4*1H3;" ; + chebi:inchikey "XOOGZRUBTYCLHG-UHFFFAOYSA-N" ; + chebi:mass "267.33808" ; + chebi:monoisotopicmass "268.07055" ; + chebi:smiles "C[Pb](C)(C)C" ; + oboInOwl:hasDbXref "Beilstein:3902986" , + "CAS:75-74-1" , + "Gmelin:2491" ; + oboInOwl:hasExactSynonym "tetramethyllead" , + "tetramethylplumbane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Bleitetramethyl" , + "PbMe4" , + "TML" , + "lead tetramethyl" , + "tetramethyl lead" ; + oboInOwl:id "CHEBI:30183" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethyllead" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:3902986" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-74-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-74-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2491" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethyllead" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylplumbane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bleitetramethyl" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PbMe4" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TML" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lead tetramethyl" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30183 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetramethyl lead" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30218 +obo:CHEBI_30218 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of helium with relative atomic mass 3.016029. The least abundant (0.000137 atom percent) isotope of naturally occurring helium." ; + chebi:charge "0" ; + chebi:formula "[3He]" ; + chebi:inchi "InChI=1S/He/i1-1" ; + chebi:inchikey "SWQJXJOGLNCZEY-BJUDXGSMSA-N" ; + chebi:mass "3.016" ; + chebi:monoisotopicmass "3.01603" ; + chebi:smiles "[3He]" ; + oboInOwl:hasDbXref "CAS:14762-55-1" , + "Gmelin:14208" ; + oboInOwl:hasExactSynonym "helium-3" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(3)2He" , + "(3)He" , + "(3He)helium" , + "helium, isotope of mass 3" , + "helium-3" ; + oboInOwl:id "CHEBI:30218" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "helium-3 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14762-55-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:14208" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "helium-3" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)2He" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3)He" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(3He)helium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "helium, isotope of mass 3" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30218 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "helium-3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30236 +obo:CHEBI_30236 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33259 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "F2" ; + chebi:inchi "InChI=1S/F2/c1-2" ; + chebi:inchikey "PXGOKWXKJXAPGV-UHFFFAOYSA-N" ; + chebi:mass "37.99681" ; + chebi:monoisotopicmass "37.99681" ; + chebi:smiles "FF" ; + oboInOwl:hasDbXref "CAS:7782-41-4" , + "Gmelin:544" ; + oboInOwl:hasExactSynonym "difluorine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "F2" , + "bifluoriden" , + "fluorine" ; + oboInOwl:id "CHEBI:30236" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "difluorine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7782-41-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7782-41-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:544" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "difluorine" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "F2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "bifluoriden" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorine" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30251 +obo:CHEBI_30251 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C5FeO5" ; + chebi:inchi "InChI=1S/5CO.Fe/c5*1-2;" ; + chebi:inchikey "FYOFOKCECDGJBF-UHFFFAOYSA-N" ; + chebi:mass "195.89550" ; + chebi:monoisotopicmass "195.90951" ; + chebi:smiles "[O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]" ; + oboInOwl:hasDbXref "CAS:13463-40-6" , + "Gmelin:3567" , + "Gmelin:3568" , + "MolBase:49" ; + oboInOwl:hasExactSynonym "pentacarbonyliron" , + "pentacarbonyliron(0)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "[Fe(CO)5]" , + "iron pentacarbonyl" ; + oboInOwl:id "CHEBI:30251" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "pentacarbonyliron" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-40-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-40-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3567" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3568" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pentacarbonyliron" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "pentacarbonyliron(0)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[Fe(CO)5]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30251 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "iron pentacarbonyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30372 +obo:CHEBI_30372 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C4NiO4" ; + chebi:inchi "InChI=1S/4CO.Ni/c4*1-2;" ; + chebi:inchikey "AWDHUGLHGCVIEG-UHFFFAOYSA-N" ; + chebi:mass "170.73380" ; + chebi:monoisotopicmass "169.91500" ; + chebi:smiles "[O]#C[Ni](C#[O])(C#[O])C#[O]" ; + oboInOwl:hasDbXref "Beilstein:6122797" , + "Beilstein:6711606" , + "CAS:13463-39-3" , + "Gmelin:101586" , + "Gmelin:3135" , + "MolBase:138" ; + oboInOwl:hasExactSynonym "tetracarbonylnickel" , + "tetracarbonylnickel(0)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Nickel carbonyl" , + "Nickel tetracarbonyl" , + "[Ni(CO)4]" ; + oboInOwl:id "CHEBI:30372" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetracarbonylnickel" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:6122797" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:6711606" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-39-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13463-39-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:101586" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3135" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetracarbonylnickel" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetracarbonylnickel(0)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nickel carbonyl" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nickel tetracarbonyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30372 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[Ni(CO)4]" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30420 +obo:CHEBI_30420 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organotin compound carrying four methyl groups." ; + chebi:charge "0" ; + chebi:formula "C4H12Sn" ; + chebi:inchi "InChI=1S/4CH3.Sn/h4*1H3;" ; + chebi:inchikey "VXKWYPOMXBVZSJ-UHFFFAOYSA-N" ; + chebi:mass "178.84808" ; + chebi:monoisotopicmass "179.99610" ; + chebi:smiles "C[Sn](C)(C)C" ; + oboInOwl:hasDbXref "CAS:594-27-4" , + "Gmelin:1938" , + "MolBase:817" , + "PMID:22007212" , + "PMID:23320683" , + "Patent:US4216066" , + "Reaxys:3647887" , + "Wikipedia:Tetramethyltin" ; + oboInOwl:hasExactSynonym "tetramethylstannane" , + "tetramethyltin" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)4Sn" , + "SnMe4" , + "[SnMe4]" ; + oboInOwl:id "CHEBI:30420" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethyltin" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:594-27-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:594-27-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1938" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22007212" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23320683" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3647887" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylstannane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethyltin" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)4Sn" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SnMe4" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30420 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[SnMe4]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30496 +obo:CHEBI_30496 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 ; + obo:IAO_0000115 "A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years)." ; + chebi:charge "0" ; + chebi:formula "F6S" ; + chebi:inchi "InChI=1S/F6S/c1-7(2,3,4,5)6" ; + chebi:inchikey "SFZCNBIFKDRMGX-UHFFFAOYSA-N" ; + chebi:mass "146.050" ; + chebi:monoisotopicmass "145.96249" ; + chebi:smiles "FS(F)(F)(F)(F)F" ; + oboInOwl:hasDbXref "CAS:2551-62-4" , + "Drug_Central:4039" , + "Gmelin:2752" , + "KEGG:D05962" , + "MolBase:971" , + "PMID:25459612" , + "PMID:25559529" , + "PMID:25607376" , + "PMID:25647411" , + "PMID:25660738" , + "Reaxys:7247840" , + "Wikipedia:Sulfur_hexafluoride" ; + oboInOwl:hasExactSynonym "hexafluoridosulfur" , + "sulfur hexafluoride" , + "sulfur(6+) fluoride" , + "sulfur(VI) fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "SF6" , + "Sonovue" , + "[SF6]" ; + oboInOwl:id "CHEBI:30496" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sulfur hexafluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2551-62-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:2551-62-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Drug_Central:4039" ; + oboInOwl:source "DrugCentral" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2752" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25459612" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25559529" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25607376" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25647411" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25660738" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:7247840" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "hexafluoridosulfur" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur hexafluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur(6+) fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur(VI) fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SF6" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sonovue" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30496 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[SF6]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_30786 +obo:CHEBI_30786 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "C2H6Hg" ; + chebi:inchi "InChI=1S/2CH3.Hg/h2*1H3;" ; + chebi:inchikey "ATZBPOVXVPIOMR-UHFFFAOYSA-N" ; + chebi:mass "230.65904" ; + chebi:monoisotopicmass "232.01759" ; + chebi:smiles "C[Hg]C" ; + oboInOwl:hasDbXref "Beilstein:3600205" , + "CAS:593-74-8" , + "Gmelin:25889" , + "MolBase:298" ; + oboInOwl:hasExactSynonym "dimethylmercury" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Dimethyl mercury" , + "[HgMe2]" ; + oboInOwl:id "CHEBI:30786" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethylmercury" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:3600205" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-74-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-74-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:25889" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethylmercury" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dimethyl mercury" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_30786 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[HgMe2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_32130 +obo:CHEBI_32130 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "AgNO3" ; + chebi:inchi "InChI=1S/Ag.NO3/c;2-1(3)4/q+1;-1" ; + chebi:inchikey "SQGYOTSLMSWVJD-UHFFFAOYSA-N" ; + chebi:mass "169.87314" ; + chebi:monoisotopicmass "168.89291" ; + chebi:smiles "[Ag+].[O-]N(=O)=O" ; + oboInOwl:hasDbXref "CAS:7761-88-8" , + "Gmelin:23909" , + "KEGG:D01730" , + "Wikipedia:Silver_nitrate" ; + oboInOwl:hasExactSynonym "silver mononitrate" , + "silver(1+) nitrate" , + "silver(I) nitrate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "AgNO3" , + "nitric acid silver(I) salt" , + "silver nitrate" ; + oboInOwl:id "CHEBI:32130" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "silver(1+) nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7761-88-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:23909" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silver mononitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silver(1+) nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silver(I) nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "AgNO3" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitric acid silver(I) salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32130 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "silver nitrate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_32588 +obo:CHEBI_32588 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "A metal chloride salt with a K(+) counterion." ; + chebi:charge "0" ; + chebi:formula "ClK" ; + chebi:inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" ; + chebi:inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" ; + chebi:mass "74.55100" ; + chebi:monoisotopicmass "73.93256" ; + chebi:smiles "[Cl-].[K+]" ; + oboInOwl:hasDbXref "CAS:7447-40-7" , + "DrugBank:DB00761" , + "KEGG:D02060" , + "MetaCyc:KCL" , + "MolBase:881" , + "Reaxys:3534978" , + "Wikipedia:Potassium_Chloride" ; + oboInOwl:hasExactSynonym "potassium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "KCl" , + "Kaliumchlorid" , + "Kaon-Cl 10" , + "Klor-con" , + "Klotrix" , + "Monopotassium chloride" , + "[KCl]" , + "muriate of potash" , + "sylvite" ; + oboInOwl:id "CHEBI:32588" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-40-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-40-7" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3534978" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "KCl" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kaliumchlorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kaon-Cl 10" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Klor-con" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Klotrix" ; + oboInOwl:hasDbXref "KEGG_DRUG" ; + oboInOwl:hasSynonymType chebi1:BRAND_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Monopotassium chloride" ; + oboInOwl:hasDbXref "DrugBank" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[KCl]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "muriate of potash" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32588 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sylvite" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_32954 +obo:CHEBI_32954 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C2H3NaO2" ; + chebi:inchi "InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1" ; + chebi:inchikey "VMHLLURERBWHNL-UHFFFAOYSA-M" ; + chebi:mass "82.03379" ; + chebi:monoisotopicmass "82.00307" ; + chebi:smiles "[Na+].CC([O-])=O" ; + oboInOwl:hasDbXref "Beilstein:3595639" , + "CAS:127-09-3" , + "Gmelin:20502" , + "Wikipedia:Sodium_Acetate" ; + oboInOwl:hasExactSynonym "sodium acetate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Natriumazetat" , + "acetic acid, sodium salt" , + "anhydrous sodium acetate" , + "sodium acetate anhydrous" ; + oboInOwl:id "CHEBI:32954" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium acetate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:3595639" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:127-09-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:20502" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium acetate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Natriumazetat" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acetic acid, sodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "anhydrous sodium acetate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_32954 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium acetate anhydrous" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_3312 +obo:CHEBI_3312 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + chebi:charge "0" ; + chebi:formula "CaCl2" ; + chebi:inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" ; + chebi:inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L" ; + chebi:mass "110.98340" ; + chebi:monoisotopicmass "109.90030" ; + chebi:smiles "[Cl-].[Cl-].[Ca++]" ; + oboInOwl:hasDbXref "AGR:IND607339542" , + "CAS:10043-52-4" , + "DrugBank:DB01164" , + "FooDB:FDB015404" , + "HMDB:HMDB0303526" , + "KEGG:C08130" , + "MetaCyc:CPD0-1589" , + "MolBase:1869" , + "PMID:11057678" , + "PMID:13333715" , + "PMID:32018153" , + "PMID:32441097" , + "PMID:34618995" , + "PMID:34981086" , + "PMID:35159430" , + "PMID:35159592" , + "PMID:35200459" , + "PMID:35260323" , + "PPDB:109" , + "Wikipedia:Calcium_Chloride" ; + oboInOwl:hasExactSynonym "calcium chloride" , + "calcium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CaCl2" , + "Calcium chloride anhydrous" , + "[CaCl2]" , + "calcium chloride anhydrous" ; + oboInOwl:id "CHEBI:3312" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "calcium dichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "AGR:IND607339542" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10043-52-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10043-52-4" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10043-52-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11057678" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:13333715" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32018153" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32441097" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34618995" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34981086" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35159430" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35159592" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35200459" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:35260323" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "calcium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "calcium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CaCl2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Calcium chloride anhydrous" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[CaCl2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_3312 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "calcium chloride anhydrous" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33232 +obo:CHEBI_33232 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000023 ; + obo:IAO_0000115 "Intended use of the molecular entity or part thereof by humans." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:33232" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "application" . + + +### http://purl.obolibrary.org/obo/CHEBI_33250 +obo:CHEBI_33250 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:CHEBI_33252 + ] ; + obo:IAO_0000115 "A chemical entity constituting the smallest component of an element having the chemical properties of the element." ; + oboInOwl:hasAlternativeId "CHEBI:22671" , + "CHEBI:23907" ; + oboInOwl:hasExactSynonym "atom" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "atome" , + "atomo" , + "atoms" , + "atomus" , + "element" , + "elements" ; + oboInOwl:id "CHEBI:33250" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "atom" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atome" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atomo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atoms" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atomus" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "element" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33250 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "elements" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33252 +obo:CHEBI_33252 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000115 "A nucleus is the positively charged central portion of an atom, excluding the orbital electrons." ; + oboInOwl:hasExactSynonym "nucleus" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Atomkern" , + "Kern" , + "noyau" , + "noyau atomique" , + "nuclei" , + "nucleo" , + "nucleo atomico" , + "nucleus atomi" ; + oboInOwl:id "CHEBI:33252" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "atomic nucleus" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nucleus" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Atomkern" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kern" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "noyau" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "noyau atomique" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nuclei" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nucleo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nucleo atomico" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33252 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nucleus atomi" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33259 +obo:CHEBI_33259 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity all atoms of which have the same atomic number." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "homoatomic entity" , + "homoatomic molecular entities" , + "homoatomic molecular entity" ; + oboInOwl:id "CHEBI:33259" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "elemental molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33259 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "homoatomic entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33259 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "homoatomic molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33259 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "homoatomic molecular entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33310 +obo:CHEBI_33310 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33250 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "Ne" ; + chebi:inchi "InChI=1S/Ne" ; + chebi:inchikey "GKAOGPIIYCISHV-UHFFFAOYSA-N" ; + chebi:mass "20.17970" ; + chebi:monoisotopicmass "19.99244" ; + chebi:smiles "[Ne]" ; + oboInOwl:hasDbXref "CAS:7440-01-9" , + "WebElements:Ne" ; + oboInOwl:hasExactSynonym "neon" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "10Ne" , + "Ne" , + "Neon" , + "neon" ; + oboInOwl:id "CHEBI:33310" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "neon atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7440-01-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "neon" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "10Ne" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Ne" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Neon" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33310 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "neon" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33371 +obo:CHEBI_33371 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + chebi:charge "0" ; + chebi:formula "[99Tc]" ; + chebi:inchi "InChI=1S/Tc/i1+1" ; + chebi:inchikey "GKLVYJBZJHMRIY-OUBTZVSYSA-N" ; + chebi:mass "98.906" ; + chebi:monoisotopicmass "98.90625" ; + chebi:smiles "[99Tc]" ; + oboInOwl:hasDbXref "CAS:14133-76-7" , + "Gmelin:41657" ; + oboInOwl:hasExactSynonym "technetium-99" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(99)43Tc" , + "(99)Tc" , + "technetium, isotope of mass 99" ; + oboInOwl:id "CHEBI:33371" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "technetium-99" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14133-76-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:41657" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "technetium-99" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(99)43Tc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(99)Tc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33371 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "technetium, isotope of mass 99" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33497 +obo:CHEBI_33497 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity containing one or more atoms of a transition element." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "transition element molecular entities" , + "transition metal molecular entity" ; + oboInOwl:id "CHEBI:33497" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "transition element molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33497 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "transition element molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33497 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "transition metal molecular entity" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33579 +obo:CHEBI_33579 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "main group compounds" , + "main group molecular entities" ; + oboInOwl:id "CHEBI:33579" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "main group molecular entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33579 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "main group compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33579 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "main group molecular entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33681 +obo:CHEBI_33681 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33259 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "He" ; + chebi:inchi "InChI=1S/He" ; + chebi:inchikey "SWQJXJOGLNCZEY-UHFFFAOYSA-N" ; + chebi:mass "4.00260" ; + chebi:monoisotopicmass "4.00260" ; + chebi:smiles "[He]" ; + oboInOwl:hasDbXref "CAS:7440-59-7" , + "MolBase:922" , + "PMID:24383961" , + "PMID:24406316" , + "PMID:24430541" , + "PMID:24553240" , + "Wikipedia:Helium" ; + oboInOwl:hasExactSynonym "helium(0)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "E 939" , + "E-939" , + "E939" , + "He" , + "[He]" , + "atomic helium" , + "helium" ; + oboInOwl:id "CHEBI:33681" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "helium(0)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7440-59-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24383961" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24406316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24430541" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24553240" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "helium(0)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "E 939" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "E-939" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "E939" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "He" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[He]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "atomic helium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33681 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "helium" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_33819 +obo:CHEBI_33819 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of oxygen with relative atomic mass 16.999131. The least abundant (0.038 atom percent) isotope of naturally occurring oxygen." ; + chebi:charge "0" ; + chebi:formula "[17O]" ; + chebi:inchi "InChI=1S/O/i1+1" ; + chebi:inchikey "QVGXLLKOCUKJST-OUBTZVSYSA-N" ; + chebi:mass "16.999" ; + chebi:monoisotopicmass "16.99913" ; + chebi:smiles "[17O]" ; + oboInOwl:hasDbXref "CAS:13968-48-4" , + "Gmelin:17561" ; + oboInOwl:hasExactSynonym "oxygen-17" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(17)8O" , + "(17)O" , + "oxygen, isotope of mass 17" , + "oxygen-17" ; + oboInOwl:id "CHEBI:33819" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "oxygen-17 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13968-48-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:17561" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "oxygen-17" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(17)8O" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(17)O" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "oxygen, isotope of mass 17" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_33819 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "oxygen-17" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_34856 +obo:CHEBI_34856 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family." ; + chebi:charge "0" ; + chebi:formula "C4H9NO" ; + chebi:inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" ; + chebi:inchikey "YNAVUWVOSKDBBP-UHFFFAOYSA-N" ; + chebi:mass "87.122" ; + chebi:monoisotopicmass "87.06841" ; + chebi:smiles "C1COCCN1" ; + oboInOwl:hasDbXref "Beilstein:102549" , + "CAS:110-91-8" , + "Chemspider:13837537" , + "DrugBank:DB13669" , + "FooDB:FDB008207" , + "Gmelin:1803" , + "HMDB:HMDB0031581" , + "KEGG:C14452" , + "PDBeChem:6LR" , + "PMID:15017096" , + "PMID:2699898" , + "PMID:31512284" , + "PMID:31978684" , + "PMID:32017384" , + "PMID:33459557" , + "Wikipedia:Morpholine" ; + oboInOwl:hasExactSynonym "Morpholine" , + "morpholine" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,4-oxazinane" , + "1-oxa-4-azacyclohexane" , + "diethylene imidoxide" , + "diethylene oximide" , + "diethylenimide oxide" , + "tetrahydro-1,4-oxazine" , + "tetrahydro-p-oxazine" ; + oboInOwl:id "CHEBI:34856" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "morpholine" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:102549" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-91-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-91-8" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:110-91-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1803" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15017096" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2699898" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31512284" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:31978684" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32017384" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33459557" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Morpholine" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "morpholine" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-oxazinane" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1-oxa-4-azacyclohexane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diethylene imidoxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diethylene oximide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diethylenimide oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-1,4-oxazine" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_34856 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-p-oxazine" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_35568 +obo:CHEBI_35568 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds." ; + oboInOwl:hasExactSynonym "mancude-ring systems" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "mancude rings" , + "mancunide-ring systems" ; + oboInOwl:id "CHEBI:35568" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "mancude ring" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_35568 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "mancude-ring systems" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_35568 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mancude rings" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_35568 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mancunide-ring systems" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36357 +obo:CHEBI_36357 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_23367 ; + obo:IAO_0000115 "Any molecular entity consisting of more than one atom." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "polyatomic entities" ; + oboInOwl:id "CHEBI:36357" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "polyatomic entity" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36357 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "polyatomic entities" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36383 +obo:CHEBI_36383 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "Cl2Sr" ; + chebi:inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" ; + chebi:inchikey "AHBGXTDRMVNFER-UHFFFAOYSA-L" ; + chebi:mass "158.52540" ; + chebi:monoisotopicmass "157.84332" ; + chebi:smiles "[Cl-].[Cl-].[Sr++]" ; + oboInOwl:hasDbXref "CAS:10476-85-4" , + "Gmelin:463924" ; + oboInOwl:hasExactSynonym "strontium chloride" , + "strontium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "SrCl2" ; + oboInOwl:id "CHEBI:36383" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "strontium dichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10476-85-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10476-85-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:463924" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "strontium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "strontium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36383 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SrCl2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36601 +obo:CHEBI_36601 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A phosphine oxide in which the substituents on phosphorus are three phenyl groups." ; + chebi:charge "0" ; + chebi:formula "C18H15OP" ; + chebi:inchi "InChI=1S/C18H15OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ; + chebi:inchikey "FIQMHBFVRAXMOP-UHFFFAOYSA-N" ; + chebi:mass "278.28486" ; + chebi:monoisotopicmass "278.08605" ; + chebi:smiles "O=P(c1ccccc1)(c1ccccc1)c1ccccc1" ; + oboInOwl:hasDbXref "CAS:791-28-6" , + "Gmelin:6758" , + "PMID:24280613" , + "PMID:24285309" , + "Reaxys:745854" , + "Wikipedia:Triphenylphosphine_oxide" ; + oboInOwl:hasExactSynonym "triphenyl-lambda(5)-phosphanone" , + "triphenylphosphane oxide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Triphenylphosphanoxid" , + "triphenyl phosphine oxide" , + "triphenyl phosphorus oxide" , + "triphenylphosphanoxide" , + "triphenylphosphine oxide" ; + oboInOwl:id "CHEBI:36601" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "triphenylphosphane oxide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:791-28-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:791-28-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:6758" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24280613" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24285309" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:745854" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "triphenyl-lambda(5)-phosphanone" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "triphenylphosphane oxide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Triphenylphosphanoxid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenyl phosphine oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenyl phosphorus oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphanoxide" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36601 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "triphenylphosphine oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36810 +obo:CHEBI_36810 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group." ; + chebi:charge "0" ; + chebi:formula "C7H5F3" ; + chebi:inchi "InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" ; + chebi:inchikey "GETTZEONDQJALK-UHFFFAOYSA-N" ; + chebi:mass "146.10980" ; + chebi:monoisotopicmass "146.03433" ; + chebi:smiles "FC(F)(F)c1ccccc1" ; + oboInOwl:hasDbXref "CAS:98-08-8" , + "Gmelin:3670" , + "PMID:11671431" , + "PMID:20958547" , + "PMID:24267073" , + "PMID:24669762" , + "Reaxys:1906908" ; + oboInOwl:hasExactSynonym "(trifluoromethyl)benzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "C6H5CF3" , + "CF3Ph" , + "PhCF3" , + "alpha,alpha,alpha-trifluorotoluene" , + "benzotrifluoride" , + "omega-trifluorotoluene" , + "phenylfluoroform" , + "trifluoromethylbenzene" ; + oboInOwl:id "CHEBI:36810" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "(trifluoromethyl)benzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:98-08-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:98-08-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:3670" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11671431" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20958547" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24267073" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24669762" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1906908" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "(trifluoromethyl)benzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "C6H5CF3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CF3Ph" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "PhCF3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "alpha,alpha,alpha-trifluorotoluene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "benzotrifluoride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "omega-trifluorotoluene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phenylfluoroform" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36810 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trifluoromethylbenzene" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36928 +obo:CHEBI_36928 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + chebi:charge "0" ; + chebi:formula "[13C]" ; + chebi:inchi "InChI=1S/C/i1+1" ; + chebi:inchikey "OKTJSMMVPCPJKN-OUBTZVSYSA-N" ; + chebi:mass "13.003" ; + chebi:monoisotopicmass "13.00335" ; + chebi:smiles "[13C]" ; + oboInOwl:hasDbXref "CAS:14762-74-4" ; + oboInOwl:hasExactSynonym "carbon-13" , + "carbon-13 atom" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(13)6C" , + "(13)C" , + "carbon, isotope of mass 13" , + "carbon-13" ; + oboInOwl:id "CHEBI:36928" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "carbon-13 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14762-74-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "carbon-13" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "carbon-13 atom" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(13)6C" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(13)C" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "carbon, isotope of mass 13" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36928 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "carbon-13" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36934 +obo:CHEBI_36934 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of nitrogen with relative atomic mass 15.000109. The least abundant (0.368 atom percent) isotope of naturally occurring nitrogen." ; + chebi:charge "0" ; + chebi:formula "[15N]" ; + chebi:inchi "InChI=1S/N/i1+1" ; + chebi:inchikey "QJGQUHMNIGDVPM-OUBTZVSYSA-N" ; + chebi:mass "15.000" ; + chebi:monoisotopicmass "15.00011" ; + chebi:smiles "[15N]" ; + oboInOwl:hasDbXref "CAS:14390-96-6" ; + oboInOwl:hasExactSynonym "nitrogen-15" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(15)7N" , + "(15)N" , + "nitrogen, isotope of mass 15" , + "nitrogen-15" ; + oboInOwl:id "CHEBI:36934" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "nitrogen-15 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14390-96-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nitrogen-15" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(15)7N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(15)N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitrogen, isotope of mass 15" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36934 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitrogen-15" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36938 +obo:CHEBI_36938 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of nitrogen with relative atomic mass 14.003074. The most abundant (99.63 atom percent) isotope of naturally occurring nitrogen." ; + chebi:charge "0" ; + chebi:formula "[14N]" ; + chebi:inchi "InChI=1S/N/i1+0" ; + chebi:inchikey "QJGQUHMNIGDVPM-IGMARMGPSA-N" ; + chebi:mass "14.003" ; + chebi:monoisotopicmass "14.00307" ; + chebi:smiles "[14N]" ; + oboInOwl:hasExactSynonym "nitrogen-14" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(14)7N" , + "(14)N" , + "nitrogen-14" ; + oboInOwl:id "CHEBI:36938" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "nitrogen-14 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nitrogen-14" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(14)7N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(14)N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36938 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nitrogen-14" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_36940 +obo:CHEBI_36940 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of fluorine with relative atomic mass 18.998403 and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[19F]" ; + chebi:inchi "InChI=1S/F/i1+0" ; + chebi:inchikey "YCKRFDGAMUMZLT-IGMARMGPSA-N" ; + chebi:mass "18.998" ; + chebi:monoisotopicmass "18.99840" ; + chebi:smiles "[19F]" ; + oboInOwl:hasExactSynonym "fluorine-19" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(19)9F" , + "(19)F" , + "fluorine-19" ; + oboInOwl:id "CHEBI:36940" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "fluorine-19 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluorine-19" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(19)9F" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(19)F" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_36940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorine-19" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37968 +obo:CHEBI_37968 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of aluminium with relative atomic mass 26.98153 and nuclear spin (5)/2." ; + chebi:charge "0" ; + chebi:formula "[27Al]" ; + chebi:inchi "InChI=1S/Al/i1+0" ; + chebi:inchikey "XAGFODPZIPBFFR-IGMARMGPSA-N" ; + chebi:mass "26.982" ; + chebi:monoisotopicmass "26.98154" ; + chebi:smiles "[27Al]" ; + oboInOwl:hasExactSynonym "aluminium-27" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(27)13Al" , + "(27)Al" , + "aluminium-27" , + "aluminum, isotope of mass 27" , + "aluminum-27" ; + oboInOwl:id "CHEBI:37968" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "aluminium-27 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "aluminium-27" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(27)13Al" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(27)Al" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "aluminium-27" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "aluminum, isotope of mass 27" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37968 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "aluminum-27" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37971 +obo:CHEBI_37971 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of phosphorus with relative atomic mass 30.973762 and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[31P]" ; + chebi:inchi "InChI=1S/P/i1+0" ; + chebi:inchikey "OAICVXFJPJFONN-IGMARMGPSA-N" ; + chebi:mass "30.974" ; + chebi:monoisotopicmass "30.97376" ; + chebi:smiles "[31P]" ; + oboInOwl:hasExactSynonym "phosphorus-31" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(31)15P" , + "(31)P" , + "phosphorus-31" ; + oboInOwl:id "CHEBI:37971" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "phosphorus-31 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "phosphorus-31" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(31)15P" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(31)P" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37971 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phosphorus-31" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37974 +obo:CHEBI_37974 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of silicon with relative atomic mass 28.9764947, 4.683 atom percent natural abundancy, and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[29Si]" ; + chebi:inchi "InChI=1S/Si/i1+1" ; + chebi:inchikey "XUIMIQQOPSSXEZ-OUBTZVSYSA-N" ; + chebi:mass "28.976" ; + chebi:monoisotopicmass "28.97649" ; + chebi:smiles "[29Si]" ; + oboInOwl:hasExactSynonym "silicon-29" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(29)14Si" , + "(29)Si" , + "silicon-29" ; + oboInOwl:id "CHEBI:37974" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "silicon-29 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "silicon-29" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(29)14Si" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(29)Si" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37974 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "silicon-29" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_37980 +obo:CHEBI_37980 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of sulfur with relative atomic mass 32.9714585, 0.75 atom percent natural abundance, and nuclear spin (3)/2." ; + chebi:charge "0" ; + chebi:formula "[33S]" ; + chebi:inchi "InChI=1S/S/i1+1" ; + chebi:inchikey "NINIDFKCEFEMDL-OUBTZVSYSA-N" ; + chebi:mass "32.971" ; + chebi:monoisotopicmass "32.97146" ; + chebi:smiles "[33S]" ; + oboInOwl:hasDbXref "CAS:14257-58-0" ; + oboInOwl:hasExactSynonym "sulfur-33" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(33)16S" , + "(33)S" , + "sulfur, isotope of mass 33" , + "sulfur-33" , + "sulphur-33" ; + oboInOwl:id "CHEBI:37980" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sulfur-33 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:14257-58-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sulfur-33" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(33)16S" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(33)S" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfur, isotope of mass 33" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfur-33" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_37980 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulphur-33" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_38472 +obo:CHEBI_38472 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group." ; + chebi:charge "0" ; + chebi:formula "C2H3N" ; + chebi:inchi "InChI=1S/C2H3N/c1-2-3/h1H3" ; + chebi:inchikey "WEVYAHXRMPXWCK-UHFFFAOYSA-N" ; + chebi:mass "41.05196" ; + chebi:monoisotopicmass "41.02655" ; + chebi:smiles "CC#N" ; + oboInOwl:hasAlternativeId "CHEBI:22185" , + "CHEBI:30972" , + "CHEBI:41432" ; + oboInOwl:hasDbXref "Beilstein:741857" , + "CAS:75-05-8" , + "Gmelin:895" , + "PDBeChem:CCN" , + "PMID:17347819" , + "PMID:19100763" , + "PMID:20370615" , + "PMID:985423" , + "PPDB:1349" , + "Reaxys:741857" , + "Wikipedia:Acetonitrile" ; + oboInOwl:hasExactSynonym "ACETONITRILE" , + "acetonitrile" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CH3-C#N" , + "MeCN" , + "NCMe" , + "cyanomethane" , + "ethanenitrile" , + "methyl cyanide" ; + oboInOwl:id "CHEBI:38472" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "acetonitrile" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:741857" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-05-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-05-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:895" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17347819" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19100763" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20370615" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:985423" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:741857" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "ACETONITRILE" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "acetonitrile" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CH3-C#N" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "MeCN" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NCMe" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cyanomethane" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ethanenitrile" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38472 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "methyl cyanide" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_38585 +obo:CHEBI_38585 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + chebi:charge "0" ; + chebi:formula "C6H4F2" ; + chebi:inchi "InChI=1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H" ; + chebi:inchikey "QUGUFLJIAFISSW-UHFFFAOYSA-N" ; + chebi:mass "114.09277" ; + chebi:monoisotopicmass "114.02811" ; + chebi:smiles "Fc1ccc(F)cc1" ; + oboInOwl:hasDbXref "Beilstein:1904541" , + "CAS:540-36-3" , + "Gmelin:142070" ; + oboInOwl:hasExactSynonym "1,4-difluorobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,4-Difluorbenzol" , + "p-difluorobenzene" , + "para-difluorobenzene" ; + oboInOwl:id "CHEBI:38585" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "1,4-difluorobenzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:1904541" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:540-36-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:540-36-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:142070" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,4-difluorobenzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-Difluorbenzol" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "p-difluorobenzene" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38585 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "para-difluorobenzene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_38589 +obo:CHEBI_38589 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine." ; + chebi:charge "0" ; + chebi:formula "C6F6" ; + chebi:inchi "InChI=1S/C6F6/c7-1-2(8)4(10)6(12)5(11)3(1)9" ; + chebi:inchikey "ZQBFAOFFOQMSGJ-UHFFFAOYSA-N" ; + chebi:mass "186.05462" ; + chebi:monoisotopicmass "185.99042" ; + chebi:smiles "Fc1c(F)c(F)c(F)c(F)c1F" ; + oboInOwl:hasDbXref "Beilstein:1683438" , + "CAS:392-56-3" , + "Gmelin:101976" , + "PMID:23869742" , + "PMID:24050348" , + "PMID:25416887" , + "PMID:26910443" , + "PMID:27043131" , + "PMID:27133442" , + "PMID:27557055" , + "PMID:33582441" , + "PMID:33938749" , + "PMID:37272941" , + "PMID:38193267" , + "PMID:38221873" , + "Wikipedia:Hexafluorobenzene" ; + oboInOwl:hasExactSynonym "hexafluorobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,2,3,4,5,6-hexafluorobenzene" , + "Hexafluorbenzol" , + "perfluorobenzene" ; + oboInOwl:id "CHEBI:38589" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "hexafluorobenzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Beilstein:1683438" ; + oboInOwl:source "Beilstein" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:392-56-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:392-56-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:101976" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23869742" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24050348" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25416887" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26910443" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27043131" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27133442" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27557055" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33582441" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:33938749" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:37272941" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38193267" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:38221873" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "hexafluorobenzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,2,3,4,5,6-hexafluorobenzene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Hexafluorbenzol" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_38589 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluorobenzene" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_39429 +obo:CHEBI_39429 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups." ; + chebi:charge "0" ; + chebi:formula "C3F6O" ; + chebi:inchi "InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9" ; + chebi:inchikey "VBZWSGALLODQNC-UHFFFAOYSA-N" ; + chebi:mass "166.02192" ; + chebi:monoisotopicmass "165.98533" ; + chebi:smiles "FC(F)(F)C(=O)C(F)(F)F" ; + oboInOwl:hasDbXref "CAS:684-16-2" , + "Gmelin:27263" , + "PMID:22481381" , + "PMID:24186328" , + "Patent:CN102964231" , + "Patent:CN102976908" , + "Reaxys:607236" , + "Wikipedia:Hexafluoroacetone" ; + oboInOwl:hasExactSynonym "1,1,1,3,3,3-hexafluoroacetone" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CF3)2CO" , + "1,1,1,3,3,3-hexafluoro-2-propanone" , + "6FK" , + "hexafluoropropanone" , + "perfluoro-2-propanone" , + "perfluoroacetone" ; + oboInOwl:id "CHEBI:39429" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "hexafluoroacetone" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:684-16-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:684-16-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:27263" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22481381" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24186328" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:607236" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,1,1,3,3,3-hexafluoroacetone" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CF3)2CO" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,1,1,3,3,3-hexafluoro-2-propanone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "6FK" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexafluoropropanone" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluoro-2-propanone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_39429 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluoroacetone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_41981 +obo:CHEBI_41981 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + chebi:charge "0" ; + chebi:formula "D2O" ; + chebi:inchi "InChI=1S/H2O/h1H2/i/hD2" ; + chebi:inchikey "XLYOFNOQVPJJNP-ZSJDYOACSA-N" ; + chebi:mass "20.027" ; + chebi:monoisotopicmass "20.02312" ; + chebi:smiles "[2H]O[2H]" ; + oboInOwl:hasAlternativeId "CHEBI:29373" , + "CHEBI:41979" ; + oboInOwl:hasDbXref "CAS:7789-20-0" , + "Gmelin:97" , + "MolBase:1647" , + "PDBeChem:DOD" ; + oboInOwl:hasExactSynonym "dideuterium oxide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "((2)H2)water" , + "D2O" , + "DEUTERATED WATER" , + "Deuteriumoxid" , + "[OD2]" , + "deuterium oxide" , + "heavy water" , + "schweres Wasser" ; + oboInOwl:id "CHEBI:41981" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dideuterium oxide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-20-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-20-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:97" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dideuterium oxide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "((2)H2)water" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "D2O" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DEUTERATED WATER" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Deuteriumoxid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[OD2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "heavy water" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_41981 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "schweres Wasser" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_45892 +obo:CHEBI_45892 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A monocarboxylic acid that is the trifluoro derivative of acetic acid." ; + chebi:charge "0" ; + chebi:formula "C2HF3O2" ; + chebi:inchi "InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)" ; + chebi:inchikey "DTQVDTLACAAQTR-UHFFFAOYSA-N" ; + chebi:mass "114.02335" ; + chebi:monoisotopicmass "113.99286" ; + chebi:smiles "OC(=O)C(F)(F)F" ; + oboInOwl:hasAlternativeId "CHEBI:27111" ; + oboInOwl:hasDbXref "CAS:76-05-1" , + "Gmelin:2729" , + "HMDB:HMDB0014118" , + "PMID:11498800" , + "PMID:7696372" , + "Reaxys:742035" , + "Wikipedia:Trifluoroacetic_acid" ; + oboInOwl:hasExactSynonym "trifluoroacetic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CF3COOH" , + "TFA" , + "Trifluoressigsaeure" , + "acide trifluoroacetique" , + "perfluoroacetic acid" ; + oboInOwl:id "CHEBI:45892" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "trifluoroacetic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:76-05-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:76-05-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:2729" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11498800" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7696372" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:742035" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trifluoroacetic acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CF3COOH" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TFA" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trifluoressigsaeure" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "acide trifluoroacetique" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_45892 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "perfluoroacetic acid" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_4610 +obo:CHEBI_4610 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organoselenium compound of two methyl groups covalently bound to a selenium." ; + chebi:charge "0" ; + chebi:formula "C2H6Se" ; + chebi:inchi "InChI=1S/C2H6Se/c1-3-2/h1-2H3" ; + chebi:inchikey "RVIXKDRPFPUUOO-UHFFFAOYSA-N" ; + chebi:mass "109.03000" ; + chebi:monoisotopicmass "109.96347" ; + chebi:smiles "C[Se]C" ; + oboInOwl:hasDbXref "CAS:593-79-3" , + "HMDB:HMDB0033212" , + "KEGG:C02535" , + "MetaCyc:CPD-12005" , + "PMID:15150252" , + "PMID:15233545" , + "PMID:1652783" , + "PMID:20152423" , + "PMID:21069149" , + "PMID:23454698" , + "PMID:23590617" , + "PMID:24241025" , + "PMID:4851946" , + "PMID:5079352" , + "PMID:8179331" , + "Reaxys:1696848" ; + oboInOwl:hasExactSynonym "(methylselanyl)methane" , + "dimethyl selenide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)2Se" , + "Dimethylselenium" , + "Methyl selenide" , + "Methyl selenium" , + "Selenium dimethyl" , + "Selenobismethane" ; + oboInOwl:id "CHEBI:4610" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethylselenide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-79-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-79-3" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-79-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15150252" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15233545" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1652783" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20152423" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21069149" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23454698" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23590617" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24241025" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:4851946" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5079352" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8179331" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1696848" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "(methylselanyl)methane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyl selenide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)2Se" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dimethylselenium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Methyl selenide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Methyl selenium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Selenium dimethyl" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4610 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Selenobismethane" ; + oboInOwl:hasDbXref "HMDB" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_4613 +obo:CHEBI_4613 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organotellurium compound in which the tellurium atom is covalently bonded to two methyl groups. A xenobiotic metabolite produced by certain strains of bacteria exposed to tellurium containing compounds." ; + chebi:charge "0" ; + chebi:formula "C2H6Te" ; + chebi:inchi "InChI=1S/C2H6Te/c1-3-2/h1-2H3" ; + chebi:inchikey "YMUZFVVKDBZHGP-UHFFFAOYSA-N" ; + chebi:mass "157.66904" ; + chebi:monoisotopicmass "159.95317" ; + chebi:smiles "C[Te]C" ; + oboInOwl:hasDbXref "CAS:593-80-6" , + "Gmelin:1480" , + "KEGG:C02677" , + "PMID:5079352" , + "PMID:9096851" , + "Reaxys:1696849" , + "Wikipedia:Dimethyl_telluride" ; + oboInOwl:hasExactSynonym "Dimethyl telluride" , + "dimethyl telluride" , + "dimethyltellane" , + "dimethyltellurium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Dimethyltelluride" , + "TeMe2" ; + oboInOwl:id "CHEBI:4613" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "dimethyl telluride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-80-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-80-6" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:593-80-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:1480" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5079352" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:9096851" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1696849" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Dimethyl telluride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyl telluride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyltellane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dimethyltellurium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dimethyltelluride" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_4613 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TeMe2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_46324 +obo:CHEBI_46324 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A trialkyl phosphate that is the trimethyl ester of phosphoric acid." ; + chebi:charge "0" ; + chebi:formula "C3H9O4P" ; + chebi:inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3" ; + chebi:inchikey "WVLBCYQITXONBZ-UHFFFAOYSA-N" ; + chebi:mass "140.07492" ; + chebi:monoisotopicmass "140.02385" ; + chebi:smiles "COP(=O)(OC)OC" ; + oboInOwl:hasDbXref "CAS:512-56-1" , + "Gmelin:49926" , + "PDBeChem:TZZ" , + "PMID:17083219" , + "PMID:18409209" , + "Reaxys:1071731" , + "Wikipedia:Trimethyl_phosphate" ; + oboInOwl:hasExactSynonym "TRIMETHYL PHOSPHATE" , + "trimethyl phosphate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "O,O,O-Trimethyl phosphate" , + "Phosphoric acid, trimethyl ester" , + "TMP" , + "TMPA" , + "TMPO" , + "Trimethoxyphosphine oxide" , + "Trimethyl orthophosphate" ; + oboInOwl:id "CHEBI:46324" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "trimethyl phosphate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:512-56-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:512-56-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:49926" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:17083219" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18409209" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1071731" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "TRIMETHYL PHOSPHATE" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trimethyl phosphate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "O,O,O-Trimethyl phosphate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Phosphoric acid, trimethyl ester" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMP" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMPA" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMPO" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trimethoxyphosphine oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_46324 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trimethyl orthophosphate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_47032 +obo:CHEBI_47032 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A dioxane with oxygen atoms at positions 1 and 4." ; + chebi:charge "0" ; + chebi:formula "C4H8O2" ; + chebi:inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2" ; + chebi:inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N" ; + chebi:mass "88.10512" ; + chebi:monoisotopicmass "88.05243" ; + chebi:smiles "C1COCCO1" ; + oboInOwl:hasAlternativeId "CHEBI:34064" , + "CHEBI:41951" , + "CHEBI:46925" ; + oboInOwl:hasDbXref "CAS:123-91-1" , + "DrugBank:DB03316" , + "KEGG:C14440" , + "LINCS:LSM-37087" , + "PDBeChem:DIO" , + "PMID:14550759" , + "PMID:18044507" , + "PMID:20598439" , + "PPDB:1638" , + "Reaxys:102551" , + "Wikipedia:1,4-Dioxane" ; + oboInOwl:hasExactSynonym "1,4-Dioxane" , + "1,4-dioxane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "1,4-DIETHYLENE DIOXIDE" , + "1,4-Dioxan" , + "1,4-dioxacyclohexane" , + "Dioxan-1,4" , + "di(ethylene oxide)" , + "dioxane-1,4" , + "glycol ethylene ether" , + "p-Dioxane" , + "tetrahydro-1,4-dioxin" , + "tetrahydro-p-dioxin" , + "tetrahydro-para-dioxin" ; + oboInOwl:id "CHEBI:47032" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "1,4-dioxane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:123-91-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:123-91-1" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:123-91-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:14550759" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18044507" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20598439" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:102551" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,4-Dioxane" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "1,4-dioxane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-DIETHYLENE DIOXIDE" ; + oboInOwl:hasDbXref "PDBeChem" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-Dioxan" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "1,4-dioxacyclohexane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dioxan-1,4" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "di(ethylene oxide)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "dioxane-1,4" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "glycol ethylene ether" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "p-Dioxane" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-1,4-dioxin" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-p-dioxin" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_47032 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tetrahydro-para-dioxin" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_48236 +obo:CHEBI_48236 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom." ; + chebi:charge "0" ; + chebi:formula "CCl3F" ; + chebi:inchi "InChI=1S/CCl3F/c2-1(3,4)5" ; + chebi:inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N" ; + chebi:mass "137.36720" ; + chebi:monoisotopicmass "135.90496" ; + chebi:smiles "FC(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:75-69-4" , + "PMID:1114326" , + "PMID:24189105" , + "PMID:5727092" , + "PMID:8006631" , + "Reaxys:1732469" , + "Wikipedia:Trichlorofluoromethane" ; + oboInOwl:hasExactSynonym "trichloro(fluoro)methane" , + "trichlorofluoromethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CFC-11" , + "Eskimon 11" , + "Freon 11" , + "R-11" , + "Refrigerant 11" , + "fluorochloroform" , + "fluorotrichloromethane" , + "monofluorotrichloromethane" , + "trichlorofluorocarbon" , + "trichloromonofluoromethane" ; + oboInOwl:id "CHEBI:48236" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "trichlorofluoromethane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-69-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-69-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1114326" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24189105" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5727092" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8006631" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1732469" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trichloro(fluoro)methane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trichlorofluoromethane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CFC-11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Eskimon 11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Freon 11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "R-11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Refrigerant 11" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorochloroform" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "fluorotrichloromethane" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "monofluorotrichloromethane" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trichlorofluorocarbon" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48236 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "trichloromonofluoromethane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_48607 +obo:CHEBI_48607 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A metal chloride salt with a Li(+) counterion." ; + chebi:charge "0" ; + chebi:formula "ClLi" ; + chebi:inchi "InChI=1S/ClH.Li/h1H;/q;+1/p-1" ; + chebi:inchikey "KWGKDLIKAYFUFQ-UHFFFAOYSA-M" ; + chebi:mass "42.39370" ; + chebi:monoisotopicmass "41.98486" ; + chebi:smiles "[Li+].[Cl-]" ; + oboInOwl:hasDbXref "CAS:7447-41-8" , + "PMID:21301855" , + "PMID:24398558" ; + oboInOwl:hasExactSynonym "lithium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "LiCl" , + "Lithiumchlorid" , + "chlorure de lithium" , + "cloruro de litio" , + "lithii chloridum" ; + oboInOwl:id "CHEBI:48607" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lithium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-41-8" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7447-41-8" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21301855" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24398558" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lithium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "LiCl" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Lithiumchlorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "chlorure de lithium" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cloruro de litio" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_48607 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lithii chloridum" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_49696 +obo:CHEBI_49696 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33250 , + obo:CHEBI_33579 ; + chebi:charge "0" ; + chebi:formula "Kr" ; + chebi:inchi "InChI=1S/Kr" ; + chebi:inchikey "DNNSSWSSYDEUBZ-UHFFFAOYSA-N" ; + chebi:mass "83.80000" ; + chebi:monoisotopicmass "83.91150" ; + chebi:smiles "[Kr]" ; + oboInOwl:hasAlternativeId "CHEBI:33312" ; + oboInOwl:hasDbXref "CAS:7439-90-9" , + "WebElements:Kr" ; + oboInOwl:hasExactSynonym "krypton" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "36Kr" , + "Kr" , + "cripton" , + "kripton" , + "krypton" ; + oboInOwl:id "CHEBI:49696" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "krypton atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7439-90-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7439-90-9" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "krypton" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "36Kr" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kr" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "cripton" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "kripton" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_49696 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "krypton" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_51086 +obo:CHEBI_51086 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000023 ; + obo:IAO_0000115 "A role played by the molecular entity or part thereof within a chemical context." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:id "CHEBI:51086" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "chemical role" . + + +### http://purl.obolibrary.org/obo/CHEBI_5115 +obo:CHEBI_5115 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent." ; + chebi:charge "0" ; + chebi:formula "C6H5F" ; + chebi:inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H" ; + chebi:inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N" ; + chebi:mass "96.10230" ; + chebi:monoisotopicmass "96.03753" ; + chebi:smiles "Fc1ccccc1" ; + oboInOwl:hasDbXref "CAS:462-06-6" , + "Gmelin:49856" , + "KEGG:C11272" , + "PMID:22976426" , + "PMID:24060903" , + "Patent:CN101224914" , + "Patent:US4390740" , + "Reaxys:1236623" , + "Wikipedia:Fluorobenzene" ; + oboInOwl:hasExactSynonym "fluorobenzene" , + "monofluorobenzene" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Fluorbenzol" , + "Fluorobenzene" , + "phenyl fluoride" ; + oboInOwl:id "CHEBI:5115" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "monofluorobenzene" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:462-06-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:462-06-6" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:462-06-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:49856" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22976426" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24060903" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1236623" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "fluorobenzene" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "monofluorobenzene" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorbenzol" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorobenzene" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_5115 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "phenyl fluoride" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52230 +obo:CHEBI_52230 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tin with relative atomic mass 118.903311, 8.59 atom percent natural abundance and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[119Sn]" ; + chebi:inchi "InChI=1S/Sn/i1+0" ; + chebi:inchikey "ATJFFYVFTNAWJD-IGMARMGPSA-N" ; + chebi:mass "118.903" ; + chebi:monoisotopicmass "118.90331" ; + chebi:smiles "[119Sn]" ; + oboInOwl:hasExactSynonym "tin-119" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(119)50Sn" , + "(119)Sn" , + "tin-119" ; + oboInOwl:id "CHEBI:52230" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tin-119 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tin-119" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(119)50Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(119)Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52230 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tin-119" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52234 +obo:CHEBI_52234 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tin with relative atomic mass 116.902956, 7.68 atom percent natural abundance and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[117Sn]" ; + chebi:inchi "InChI=1S/Sn/i1-2" ; + chebi:inchikey "ATJFFYVFTNAWJD-YPZZEJLDSA-N" ; + chebi:mass "116.903" ; + chebi:monoisotopicmass "116.90295" ; + chebi:smiles "[117Sn]" ; + oboInOwl:hasExactSynonym "tin-117" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(117)50Sn" , + "(117)Sn" , + "tin-117" ; + oboInOwl:id "CHEBI:52234" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tin-117 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tin-117" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(117)50Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(117)Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52234 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tin-117" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52235 +obo:CHEBI_52235 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tin with relative atomic mass 114.903348, 0.34 atom percent natural abundance and nuclear spin (1)/2." ; + chebi:charge "0" ; + chebi:formula "[115Sn]" ; + chebi:inchi "InChI=1S/Sn/i1-4" ; + chebi:inchikey "ATJFFYVFTNAWJD-AHCXROLUSA-N" ; + chebi:mass "114.903" ; + chebi:monoisotopicmass "114.90334" ; + chebi:smiles "[115Sn]" ; + oboInOwl:hasExactSynonym "tin-115" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(115)50Sn" , + "(115)Sn" , + "tin-115" ; + oboInOwl:id "CHEBI:52235" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tin-115 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tin-115" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(115)50Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(115)Sn" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52235 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tin-115" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52452 +obo:CHEBI_52452 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of tellurium with relative atomic mass 124.904425, 71.4 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[125Te]" ; + chebi:inchi "InChI=1S/Te/i1-3" ; + chebi:inchikey "PORWMNRCUJJQNO-OIOBTWANSA-N" ; + chebi:mass "124.904" ; + chebi:monoisotopicmass "124.90443" ; + chebi:smiles "[125Te]" ; + oboInOwl:hasExactSynonym "tellurium-125" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(125)52Te" , + "(125)Te" , + "tellurium-125" ; + oboInOwl:id "CHEBI:52452" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tellurium-125 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tellurium-125" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(125)52Te" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(125)Te" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52452 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "tellurium-125" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52453 +obo:CHEBI_52453 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33259 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of xenon with relative atomic mass 128.904780, 26.4 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[129Xe]" ; + chebi:inchi "InChI=1S/Xe/i1-2" ; + chebi:inchikey "FHNFHKCVQCLJFQ-YPZZEJLDSA-N" ; + chebi:mass "128.905" ; + chebi:monoisotopicmass "128.90478" ; + chebi:smiles "[129Xe]" ; + oboInOwl:hasExactSynonym "xenon-129" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(129)54Xe" , + "(129)Xe" , + "xenon-129" ; + oboInOwl:id "CHEBI:52453" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "xenon-129 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "xenon-129" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(129)54Xe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(129)Xe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52453 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "xenon-129" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52457 +obo:CHEBI_52457 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "A stable isotope of selenium with relative atomic mass 76.919915, 7.60 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[77Se]" ; + chebi:inchi "InChI=1S/Se/i1-2" ; + chebi:inchikey "BUGBHKTXTAQXES-YPZZEJLDSA-N" ; + chebi:mass "76.920" ; + chebi:monoisotopicmass "76.91991" ; + chebi:smiles "[77Se]" ; + oboInOwl:hasDbXref "Chemspider:9507361" , + "PMID:16158304" , + "PMID:23159557" , + "PMID:25848959" , + "PMID:25923042" , + "PMID:27129100" , + "PMID:30828921" , + "PMID:32453871" , + "PMID:34153173" ; + oboInOwl:hasExactSynonym "((77)Se)selenium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(77)34Se" , + "(77)Se" , + "Se-77" , + "selenium, isotope of mass 77" , + "selenium-(77)Se" , + "selenium-77" ; + oboInOwl:id "CHEBI:52457" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "selenium-77 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16158304" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23159557" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25848959" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25923042" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:27129100" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:30828921" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32453871" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:34153173" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((77)Se)selenium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(77)34Se" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(77)Se" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Se-77" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "selenium, isotope of mass 77" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "selenium-(77)Se" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52457 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "selenium-77" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52458 +obo:CHEBI_52458 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of lithium with relative atomic mass 7.016004, 92.5 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[7Li]" ; + chebi:inchi "InChI=1S/Li/i1+0" ; + chebi:inchikey "WHXSMMKQMYFTQS-IGMARMGPSA-N" ; + chebi:mass "7.016" ; + chebi:monoisotopicmass "7.01600" ; + chebi:smiles "[7Li]" ; + oboInOwl:hasExactSynonym "lithium-7" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(7)3Li" , + "(7)Li" , + "lithium-7" ; + oboInOwl:id "CHEBI:52458" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lithium-7 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lithium-7" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(7)3Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(7)Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52458 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lithium-7" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52459 +obo:CHEBI_52459 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of rubidium with relative atomic mass 86.909184, 27.9 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[87Rb]" ; + chebi:inchi "InChI=1S/Rb/i1+2" ; + chebi:inchikey "IGLNJRXAVVLDKE-NJFSPNSNSA-N" ; + chebi:mass "86.909" ; + chebi:monoisotopicmass "86.90918" ; + chebi:smiles "[87Rb]" ; + oboInOwl:hasExactSynonym "rubidium-87" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(87)37Rb" , + "(87)Rb" , + "rubidium-87" ; + oboInOwl:id "CHEBI:52459" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "rubidium-87 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "rubidium-87" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(87)37Rb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(87)Rb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52459 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "rubidium-87" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52460 +obo:CHEBI_52460 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of niobium with relative atomic mass 92.906378, 100 atom percent natural abundance and nuclear spin 9/2." ; + chebi:charge "0" ; + chebi:formula "[93Nb]" ; + chebi:inchi "InChI=1S/Nb/i1+0" ; + chebi:inchikey "GUCVJGMIXFAOAE-IGMARMGPSA-N" ; + chebi:mass "92.906" ; + chebi:monoisotopicmass "92.90637" ; + chebi:smiles "[93Nb]" ; + oboInOwl:hasExactSynonym "niobium-93" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(93)41Nb" , + "(93)Nb" , + "niobium-93" ; + oboInOwl:id "CHEBI:52460" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "niobium-93 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "niobium-93" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(93)41Nb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(93)Nb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52460 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "niobium-93" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52462 +obo:CHEBI_52462 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of niobium with relative atomic mass 182.950225, 14.3 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[183W]" ; + chebi:inchi "InChI=1S/W/i1-1" ; + chebi:inchikey "WFKWXMTUELFFGS-BJUDXGSMSA-N" ; + chebi:mass "182.950" ; + chebi:monoisotopicmass "182.95022" ; + chebi:smiles "[183W]" ; + oboInOwl:hasExactSynonym "tungsten-183" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(183)74W" , + "(183)W" ; + oboInOwl:id "CHEBI:52462" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tungsten-183" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52462 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tungsten-183" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52462 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(183)74W" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52462 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(183)W" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52619 +obo:CHEBI_52619 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of cadmium with relative atomic mass 110.904182, 12.8 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[111Cd]" ; + chebi:inchi "InChI=1S/Cd/i1-1" ; + chebi:inchikey "BDOSMKKIYDKNTQ-BJUDXGSMSA-N" ; + chebi:mass "110.904" ; + chebi:monoisotopicmass "110.90418" ; + chebi:smiles "[111Cd]" ; + oboInOwl:hasExactSynonym "cadmium-111" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(111)48Cd" , + "(111)Cd" ; + oboInOwl:id "CHEBI:52619" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "cadmium-111" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52619 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "cadmium-111" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52619 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(111)48Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52619 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(111)Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52620 +obo:CHEBI_52620 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[113Cd]" ; + chebi:inchi "InChI=1S/Cd/i1+1" ; + chebi:inchikey "BDOSMKKIYDKNTQ-OUBTZVSYSA-N" ; + chebi:mass "112.904" ; + chebi:monoisotopicmass "112.90441" ; + chebi:smiles "[113Cd]" ; + oboInOwl:hasExactSynonym "cadmium-113" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(113)48Cd" , + "(113)Cd" ; + oboInOwl:id "CHEBI:52620" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "cadmium-113" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52620 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "cadmium-113" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52620 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(113)48Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52620 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(113)Cd" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52621 +obo:CHEBI_52621 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of lithium with relative atomic mass 6.015122, 7.5 atom percent natural abundance and nuclear spin 1." ; + chebi:charge "0" ; + chebi:formula "[6Li]" ; + chebi:inchi "InChI=1S/Li/i1-1" ; + chebi:inchikey "WHXSMMKQMYFTQS-BJUDXGSMSA-N" ; + chebi:mass "6.015" ; + chebi:monoisotopicmass "6.01512" ; + chebi:smiles "[6Li]" ; + oboInOwl:hasExactSynonym "lithium-6" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(6)3Li" , + "(6)Li" , + "lithium-6" ; + oboInOwl:id "CHEBI:52621" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lithium-6 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lithium-6" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(6)3Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(6)Li" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52621 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lithium-6" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52622 +obo:CHEBI_52622 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of yttrium with relative atomic mass 88.905848, 100 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[89Y]" ; + chebi:inchi "InChI=1S/Y/i1+0" ; + chebi:inchikey "VWQVUPCCIRVNHF-IGMARMGPSA-N" ; + chebi:mass "88.906" ; + chebi:monoisotopicmass "88.90584" ; + chebi:smiles "[89Y]" ; + oboInOwl:hasExactSynonym "yttrium-89" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(89)39Y" , + "(89)Y" , + "yttrium-89" ; + oboInOwl:id "CHEBI:52622" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "yttrium-89 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "yttrium-89" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(89)39Y" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(89)Y" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52622 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "yttrium-89" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52623 +obo:CHEBI_52623 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2." ; + chebi:charge "0" ; + chebi:formula "[57Fe]" ; + chebi:inchi "InChI=1S/Fe/i1+1" ; + chebi:inchikey "XEEYBQQBJWHFJM-OUBTZVSYSA-N" ; + chebi:mass "56.935" ; + chebi:monoisotopicmass "56.93539" ; + chebi:smiles "[57Fe]" ; + oboInOwl:hasExactSynonym "iron-57" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(57)26Fe" , + "(57)Fe" ; + oboInOwl:id "CHEBI:52623" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "iron-57 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52623 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "iron-57" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52623 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(57)26Fe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52623 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(57)Fe" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52624 +obo:CHEBI_52624 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of antimony with relative atomic mass 120.903818, 57.2 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[121Sb]" ; + chebi:inchi "InChI=1S/Sb/i1-1" ; + chebi:inchikey "WATWJIUSRGPENY-BJUDXGSMSA-N" ; + chebi:mass "120.904" ; + chebi:monoisotopicmass "120.90381" ; + chebi:smiles "[121Sb]" ; + oboInOwl:hasExactSynonym "antimony-121" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(121)51Sb" , + "(121)Sb" , + "antimony-121" ; + oboInOwl:id "CHEBI:52624" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "antimony-121 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "antimony-121" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(121)51Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(121)Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52624 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "antimony-121" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52626 +obo:CHEBI_52626 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 , + obo:CHEBI_33579 ; + obo:IAO_0000115 "The stable isotope of antimony with relative atomic mass 122.904216, 42.8 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[123Sb]" ; + chebi:inchi "InChI=1S/Sb/i1+1" ; + chebi:inchikey "WATWJIUSRGPENY-OUBTZVSYSA-N" ; + chebi:mass "122.904" ; + chebi:monoisotopicmass "122.90421" ; + chebi:smiles "[123Sb]" ; + oboInOwl:hasExactSynonym "antimony-123" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(123)51Sb" , + "(123)Sb" , + "antimony-123" ; + oboInOwl:id "CHEBI:52626" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "antimony-123 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "antimony-123" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(123)51Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(123)Sb" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52626 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "antimony-123" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52627 +obo:CHEBI_52627 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of lanthanum with relative atomic mass 138.906348, 99.9 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[139La]" ; + chebi:inchi "InChI=1S/La/i1+0" ; + chebi:inchikey "FZLIPJUXYLNCLC-IGMARMGPSA-N" ; + chebi:mass "138.906" ; + chebi:monoisotopicmass "138.90636" ; + chebi:smiles "[139La]" ; + oboInOwl:hasExactSynonym "lanthanum-139" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(139)57La" , + "(139)La" , + "lanthanum-139" ; + oboInOwl:id "CHEBI:52627" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "lanthanum-139 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "lanthanum-139" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(139)57La" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(139)La" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52627 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanum-139" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52631 +obo:CHEBI_52631 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[127I]" ; + chebi:inchi "InChI=1S/I/i1+0" ; + chebi:inchikey "ZCYVEMRRCGMTRW-IGMARMGPSA-N" ; + chebi:mass "126.904" ; + chebi:monoisotopicmass "126.90447" ; + chebi:smiles "[127I]" ; + oboInOwl:hasExactSynonym "iodine-127" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(127)53I" , + "(127)I" , + "iodine-127" ; + oboInOwl:id "CHEBI:52631" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "iodine-127 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "iodine-127" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(127)53I" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(127)I" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52631 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "iodine-127" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52632 +obo:CHEBI_52632 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of potassium with relative atomic mass 38.963707, 93.3 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[39K]" ; + chebi:inchi "InChI=1S/K/i1+0" ; + chebi:inchikey "ZLMJMSJWJFRBEC-IGMARMGPSA-N" ; + chebi:mass "38.964" ; + chebi:monoisotopicmass "38.96371" ; + chebi:smiles "[39K]" ; + oboInOwl:hasExactSynonym "potassium-39" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(39)19K" , + "(39)K" , + "potassium-39" ; + oboInOwl:id "CHEBI:52632" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium-39 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium-39" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(39)19K" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(39)K" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52632 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "potassium-39" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52633 +obo:CHEBI_52633 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of molybdenum with relative atomic mass 94.905842, 15.9 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[95Mo]" ; + chebi:inchi "InChI=1S/Mo/i1-1" ; + chebi:inchikey "ZOKXTWBITQBERF-BJUDXGSMSA-N" ; + chebi:mass "94.906" ; + chebi:monoisotopicmass "94.90584" ; + chebi:smiles "[95Mo]" ; + oboInOwl:hasExactSynonym "molybdenum-95" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(95)42Mo" , + "(95)Mo" ; + oboInOwl:id "CHEBI:52633" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "molybdenum-95" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52633 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "molybdenum-95" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52633 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(95)42Mo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52633 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(95)Mo" ; + oboInOwl:hasDbXref "IUPAC" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52634 +obo:CHEBI_52634 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of sodium with relative atomic mass 22.989770, 100 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[23Na]" ; + chebi:inchi "InChI=1S/Na/i1+0" ; + chebi:inchikey "KEAYESYHFKHZAL-IGMARMGPSA-N" ; + chebi:mass "22.990" ; + chebi:monoisotopicmass "22.98977" ; + chebi:smiles "[23Na]" ; + oboInOwl:hasExactSynonym "sodium-23" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(23)11Na" , + "(23)Na" , + "sodium-23" ; + oboInOwl:id "CHEBI:52634" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium-23 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium-23" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(23)11Na" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(23)Na" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52634 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium-23" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52635 +obo:CHEBI_52635 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of scandium with relative atomic mass 44.955910, 100 atom percent natural abundance and nuclear spin 7/2." ; + chebi:charge "0" ; + chebi:formula "[45Sc]" ; + chebi:inchi "InChI=1S/Sc/i1+0" ; + chebi:inchikey "SIXSYDAISGFNSX-IGMARMGPSA-N" ; + chebi:mass "44.956" ; + chebi:monoisotopicmass "44.95591" ; + chebi:smiles "[45Sc]" ; + oboInOwl:hasExactSynonym "scandium-45" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(45)21Sc" , + "(45)Sc" , + "scandium-45" ; + oboInOwl:id "CHEBI:52635" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "scandium-45 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "scandium-45" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(45)21Sc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(45)Sc" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52635 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "scandium-45" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52743 +obo:CHEBI_52743 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of bromine with relative atomic mass 78.918338, 50.69 atom percent natural abundance and nuclear spin 3/2." ; + chebi:charge "0" ; + chebi:formula "[79Br]" ; + chebi:inchi "InChI=1S/Br/i1-1" ; + chebi:inchikey "WKBOTKDWSSQWDR-BJUDXGSMSA-N" ; + chebi:mass "78.918" ; + chebi:monoisotopicmass "78.91834" ; + chebi:smiles "[79Br]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(79)35Br" , + "(79)Br" , + "bromine-79" ; + oboInOwl:id "CHEBI:52743" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "bromine-79 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52743 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(79)35Br" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52743 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(79)Br" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52743 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "bromine-79" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52758 +obo:CHEBI_52758 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of germanium with relative atomic mass 72.923459, 7.73 atom percent natural abundance and nuclear spin 9/2." ; + chebi:charge "0" ; + chebi:formula "[73Ge]" ; + chebi:inchi "InChI=1S/Ge/i1+0" ; + chebi:inchikey "GNPVGFCGXDBREM-IGMARMGPSA-N" ; + chebi:mass "72.923" ; + chebi:monoisotopicmass "72.92346" ; + chebi:smiles "[73Ge]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(73)32Ge" , + "(73)Ge" , + "germanium-73" ; + oboInOwl:id "CHEBI:52758" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "germanium-73 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52758 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(73)32Ge" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52758 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(73)Ge" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52758 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "germanium-73" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_52763 +obo:CHEBI_52763 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33250 ; + obo:IAO_0000115 "The stable isotope of magnesium with relative atomic mass 24.985837, 10.0 atom percent natural abundance and nuclear spin 5/2." ; + chebi:charge "0" ; + chebi:formula "[25Mg]" ; + chebi:inchi "InChI=1S/Mg/i1+1" ; + chebi:inchikey "FYYHWMGAXLPEAU-OUBTZVSYSA-N" ; + chebi:mass "24.986" ; + chebi:monoisotopicmass "24.98584" ; + chebi:smiles "[25Mg]" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(25)12Mg" , + "(25)Mg" , + "magnesium-25" ; + oboInOwl:id "CHEBI:52763" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "magnesium-25 atom" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52763 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(25)12Mg" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52763 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(25)Mg" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_52763 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "magnesium-25" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_53473 +obo:CHEBI_53473 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A metal sulfate in which the metal is beryllium (in the +2 oxidation state) and the ratio of beryllium to sulfate is 1:1." ; + chebi:charge "0" ; + chebi:formula "BeO4S" ; + chebi:inchi "InChI=1S/Be.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ; + chebi:inchikey "KQHXBDOEECKORE-UHFFFAOYSA-L" ; + chebi:mass "105.07500" ; + chebi:monoisotopicmass "104.96391" ; + chebi:smiles "[Be++].[O-]S([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:13510-49-1" , + "Gmelin:8296" , + "PMID:11207315" , + "PMID:11423174" , + "PMID:11678613" , + "PMID:11897645" , + "PMID:16951350" , + "PMID:18250483" , + "PMID:18768897" , + "PMID:20549306" , + "PMID:2179717" , + "PMID:2469014" , + "PMID:2930060" , + "PMID:2954196" , + "PMID:3498695" , + "PMID:3764912" , + "PMID:3824419" , + "PMID:7122994" , + "PMID:8991630" , + "Patent:US4316840" , + "Patent:US4394524" , + "Patent:US5436364" , + "Reaxys:13316867" , + "Wikipedia:Beryllium_sulfate" ; + oboInOwl:hasExactSynonym "Beryllium sulfate" , + "beryllium sulfate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "BeSO4" , + "Beryllium sulphate" , + "beryllium(II) sulfate" ; + oboInOwl:id "CHEBI:53473" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "beryllium sulfate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13510-49-1" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13510-49-1" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:8296" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11207315" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11423174" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11678613" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11897645" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:16951350" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18250483" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:18768897" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20549306" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2179717" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2469014" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2930060" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2954196" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3498695" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3764912" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3824419" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7122994" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8991630" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:13316867" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Beryllium sulfate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "beryllium sulfate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "BeSO4" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Beryllium sulphate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_53473 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "beryllium(II) sulfate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_55317 +obo:CHEBI_55317 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The bromide salt of tetramethylammonium." ; + chebi:charge "0" ; + chebi:formula "C4H12BrN" ; + chebi:inchi "InChI=1S/C4H12N.BrH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" ; + chebi:inchikey "DDFYFBUWEBINLX-UHFFFAOYSA-M" ; + chebi:mass "154.04900" ; + chebi:monoisotopicmass "153.01531" ; + chebi:smiles "[Br-].C[N+](C)(C)C" ; + oboInOwl:hasDbXref "CAS:64-20-0" , + "PMID:24804652" , + "PMID:6196640" , + "Reaxys:3620955" ; + oboInOwl:hasExactSynonym "N,N,N-trimethylmethanaminium bromide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TMAB" ; + oboInOwl:id "CHEBI:55317" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylammonium bromide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:64-20-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:64-20-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24804652" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6196640" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3620955" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "N,N,N-trimethylmethanaminium bromide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_55317 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMAB" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_59606 +obo:CHEBI_59606 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt comprising separate sodium cations and octahedral [PtCl6](2-) anions." ; + chebi:charge "0" ; + chebi:formula "Cl6Na2Pt" ; + chebi:inchi "InChI=1S/6ClH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6" ; + chebi:inchikey "QGFSULIVEYGQQY-UHFFFAOYSA-H" ; + chebi:mass "453.78200" ; + chebi:monoisotopicmass "450.75745" ; + chebi:smiles "[Na+].[Na+].Cl[Pt--](Cl)(Cl)(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:16923-58-3" , + "PMID:2936374" , + "PMID:6541706" , + "Reaxys:11322243" , + "Wikipedia:Sodium_hexachloroplatinate" ; + oboInOwl:hasExactSynonym "sodium hexachloridoplatinate(2-)" , + "sodium hexachloridoplatinate(IV)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Disodium hexachloroplatinate" ; + oboInOwl:id "CHEBI:59606" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium hexachloroplatinate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:16923-58-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2936374" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6541706" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11322243" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium hexachloridoplatinate(2-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium hexachloridoplatinate(IV)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59606 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium hexachloroplatinate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_59999 +obo:CHEBI_59999 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000115 "A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Chemische Substanz" ; + oboInOwl:id "CHEBI:59999" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "chemical substance" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_59999 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chemische Substanz" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_62946 +obo:CHEBI_62946 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils." ; + chebi:charge "0" ; + chebi:formula "H8N2O4S" ; + chebi:inchi "InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)" ; + chebi:inchikey "BFNBIHQBYMNNAN-UHFFFAOYSA-N" ; + chebi:mass "132.14000" ; + chebi:monoisotopicmass "132.02048" ; + chebi:smiles "[NH4+].[NH4+].[O-]S([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:7783-20-2" , + "KEGG:D08853" , + "MetaCyc:NH42SO4" , + "PMID:20556652" , + "PPDB:36" , + "Reaxys:11343144" , + "Wikipedia:Ammonium_sulfate" ; + oboInOwl:hasExactSynonym "diazanium sulfate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(NH4)2SO4" , + "ammonium sulfate (2:1)" , + "ammonium sulphate" , + "diammonium sulfate" , + "mascagnite" , + "sulfuric acid ammonium salt (1:2)" , + "sulfuric acid, diammonium salt" , + "sulphate of ammonia" ; + oboInOwl:id "CHEBI:62946" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ammonium sulfate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-20-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7783-20-2" ; + oboInOwl:source "KEGG DRUG" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:20556652" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343144" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "diazanium sulfate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(NH4)2SO4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ammonium sulfate (2:1)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "ammonium sulphate" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "diammonium sulfate" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "mascagnite" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfuric acid ammonium salt (1:2)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulfuric acid, diammonium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_62946 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sulphate of ammonia" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63004 +obo:CHEBI_63004 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt having bromide as the counterion." ; + chebi:charge "0" ; + chebi:formula "BrNa" ; + chebi:inchi "InChI=1S/BrH.Na/h1H;/q;+1/p-1" ; + chebi:inchikey "JHJLBTNAGRQEKS-UHFFFAOYSA-M" ; + chebi:mass "102.89400" ; + chebi:monoisotopicmass "101.90811" ; + chebi:smiles "[Na+].[Br-]" ; + oboInOwl:hasDbXref "CAS:7647-15-6" , + "Wikipedia:Sodium_bromide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Bromide salt of sodium" , + "Bromnatrium" , + "NaBr" , + "Trisodium tribromide" ; + oboInOwl:id "CHEBI:63004" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium bromide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-15-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7647-15-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bromide salt of sodium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bromnatrium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NaBr" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63004 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trisodium tribromide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63005 +obo:CHEBI_63005 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic nitrate salt of sodium." ; + chebi:charge "0" ; + chebi:formula "NNaO3" ; + chebi:inchi "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" ; + chebi:inchikey "VWDWKYIASSYTQR-UHFFFAOYSA-N" ; + chebi:mass "84.99470" ; + chebi:monoisotopicmass "84.97759" ; + chebi:smiles "[Na+].[O-][N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:7631-99-4" , + "Reaxys:11343077" , + "Wikipedia:Sodium_nitrate" ; + oboInOwl:hasExactSynonym "sodium nitrate" , + "sodium trioxidonitrate(1-)" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Chile saltpeter" , + "Cubic niter" , + "Niter" , + "Nitrate de sodium" , + "Nitrate of soda" , + "Nitric acid monosodium salt" , + "Nitric acid sodium salt (1:1)" , + "Nitric acid, sodium salt" , + "Sodium saltpeter" , + "Sodium(I) nitrate (1:1)" ; + oboInOwl:id "CHEBI:63005" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium nitrate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-99-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343077" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium trioxidonitrate(1-)" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chile saltpeter" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Cubic niter" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Niter" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitrate de sodium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitrate of soda" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitrate of soda" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitric acid monosodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitric acid sodium salt (1:1)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Nitric acid, sodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium saltpeter" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63005 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium(I) nitrate (1:1)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63317 +obo:CHEBI_63317 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "The inorganic dichloride salt of barium." ; + chebi:charge "0" ; + chebi:formula "BaCl2" ; + chebi:inchi "InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2" ; + chebi:inchikey "WDIHJSXYQDMJHN-UHFFFAOYSA-L" ; + chebi:mass "208.23300" ; + chebi:monoisotopicmass "207.84295" ; + chebi:smiles "[Cl-].[Cl-].[Ba++]" ; + oboInOwl:hasDbXref "CAS:10361-37-2" , + "MetaCyc:CPD0-1592" , + "PMID:21601246" , + "Reaxys:1209229" , + "Reaxys:8128158" , + "Wikipedia:Barium_chloride" ; + oboInOwl:hasExactSynonym "barium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "BaCl2" ; + oboInOwl:id "CHEBI:63317" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "barium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10361-37-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:10361-37-2" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21601246" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1209229" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:8128158" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "barium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63317 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "BaCl2" ; + oboInOwl:hasDbXref "MetaCyc" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_63940 +obo:CHEBI_63940 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt having tungstate as the counterion. Combines with hydrogen peroxide for the oxidation of secondary amines to nitrones." ; + chebi:charge "0" ; + chebi:formula "Na2O4W" ; + chebi:inchi "InChI=1S/2Na.4O.W/q2*+1;;;2*-1;" ; + chebi:inchikey "XMVONEAAOPAGAO-UHFFFAOYSA-N" ; + chebi:mass "293.82000" ; + chebi:monoisotopicmass "293.91013" ; + chebi:smiles "[Na+].[Na+].[O-][W]([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:13472-45-2" , + "Reaxys:11343345" , + "Wikipedia:Sodium_tungstate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Disodium tetraoxotungstate" , + "Disodium tungstate" , + "Na2WO4" , + "Sodium tungstate(VI)" , + "Sodium tungsten oxide" , + "Sodium wolframate" , + "Tungstic acid, disodium salt" , + "sodium tetraoxotungstate(VI)" ; + oboInOwl:id "CHEBI:63940" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium tungstate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:13472-45-2" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343345" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium tetraoxotungstate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium tungstate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Na2WO4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium tungstate(VI)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium tungsten oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium wolframate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tungstic acid, disodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_63940 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium tetraoxotungstate(VI)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_6636 +obo:CHEBI_6636 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_59999 ; + obo:IAO_0000115 "A magnesium salt comprising of two chlorine atoms bound to a magnesium atom." ; + chebi:charge "0" ; + chebi:formula "Cl2Mg" ; + chebi:inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" ; + chebi:inchikey "TWRXJAOTZQYOKJ-UHFFFAOYSA-L" ; + chebi:mass "95.21040" ; + chebi:monoisotopicmass "93.92275" ; + chebi:smiles "[Mg++].[Cl-].[Cl-]" ; + oboInOwl:hasDbXref "CAS:7786-30-3" , + "Gmelin:9305" , + "KEGG:C07755" , + "MolBase:1868" , + "Reaxys:8128169" ; + oboInOwl:hasExactSynonym "magnesium dichloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Magnesium chloride" , + "Magnesium chloride anhydrous" , + "Magnesiumchlorid" , + "MgCl2" , + "[MgCl2]" ; + oboInOwl:id "CHEBI:6636" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "magnesium dichloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7786-30-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7786-30-3" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7786-30-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Gmelin:9305" ; + oboInOwl:source "Gmelin" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:8128169" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "magnesium dichloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Magnesium chloride" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Magnesium chloride anhydrous" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Magnesiumchlorid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "MgCl2" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_6636 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "[MgCl2]" ; + oboInOwl:hasDbXref "MolBase" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_66872 +obo:CHEBI_66872 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A fluoride salt having K+ as the counterion." ; + chebi:charge "0" ; + chebi:formula "FK" ; + chebi:inchi "InChI=1S/FH.K/h1H;/q;+1/p-1" ; + chebi:inchikey "NROKBHXJSPEDAR-UHFFFAOYSA-M" ; + chebi:mass "58.09670" ; + chebi:monoisotopicmass "57.96211" ; + chebi:smiles "[F-].[K+]" ; + oboInOwl:hasDbXref "CAS:7789-23-3" , + "PMID:21412559" , + "PMID:21486073" , + "PMID:21636316" , + "PMID:21863787" , + "PMID:22013284" , + "PMID:22169214" , + "PMID:22359362" , + "PMID:22700337" , + "PMID:22721409" , + "PMID:22777777" , + "Reaxys:11339017" , + "Reaxys:3902818" , + "Wikipedia:Potassium_fluoride" ; + oboInOwl:hasExactSynonym "potassium fluoride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Fluorure de potassium" , + "Potassium fluorure" ; + oboInOwl:id "CHEBI:66872" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium fluoride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-23-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-23-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21412559" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21486073" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21636316" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21863787" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22013284" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22169214" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22359362" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22700337" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22721409" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:22777777" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11339017" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3902818" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium fluoride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Fluorure de potassium" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_66872 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Potassium fluorure" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_67137 +obo:CHEBI_67137 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33232 ; + obo:IAO_0000115 "In NMR spectroscopy a reagent added to a solution to induce chemical shifts and thus simplify complex spectra." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NMR shift reagents" , + "lanthanide shift reagent" , + "lanthanide shift reagents" , + "nuclear magnetic resonance shift reagent" , + "nuclear magnetic resonance shift reagents" ; + oboInOwl:id "CHEBI:67137" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "NMR shift reagent" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NMR shift reagents" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanide shift reagent" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "lanthanide shift reagents" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nuclear magnetic resonance shift reagent" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_67137 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "nuclear magnetic resonance shift reagents" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_75215 +obo:CHEBI_75215 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic sodium salt having molybdate as the counterion." ; + chebi:charge "0" ; + chebi:formula "MoNa2O4" ; + chebi:inchi "InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1" ; + chebi:inchikey "TVXXNOYZHKPKGW-UHFFFAOYSA-N" ; + chebi:mass "205.92000" ; + chebi:monoisotopicmass "207.86460" ; + chebi:smiles "[Na+].[Na+].[O-][Mo]([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:7631-95-0" , + "KEGG:C15455" , + "Reaxys:11323078" , + "Wikipedia:Sodium_molybdate" ; + oboInOwl:hasExactSynonym "sodium dioxido(dioxo)molybdenum" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Disodium molybdate" , + "Molybdic acid, disodium salt" , + "Na2MoO4" , + "Natriummolybdat" , + "Sodium molybdate(VI)" , + "disodium tetraoxomolybdate" , + "sodium molybdate" , + "sodium molybdate (anh.)" , + "sodium orthomolybdate" ; + oboInOwl:id "CHEBI:75215" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium molybdate (anhydrous)" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-95-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-95-0" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7631-95-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11323078" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium dioxido(dioxo)molybdenum" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Disodium molybdate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Molybdic acid, disodium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Na2MoO4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Natriummolybdat" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Sodium molybdate(VI)" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "disodium tetraoxomolybdate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium molybdate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium molybdate (anh.)" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium orthomolybdate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_75249 +obo:CHEBI_75249 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A potassium salt consisting of potassium and chromate ions in a 2:1 ratio." ; + chebi:charge "0" ; + chebi:formula "CrK2O4" ; + chebi:inchi "InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1" ; + chebi:inchikey "XMXNVYPJWBTAHN-UHFFFAOYSA-N" ; + chebi:mass "194.19030" ; + chebi:monoisotopicmass "193.84758" ; + chebi:smiles "[K+].[K+].[O-][Cr]([O-])(=O)=O" ; + oboInOwl:hasDbXref "CAS:7789-00-6" , + "PMID:1372703" , + "PMID:1858300" , + "PMID:1897900" , + "PMID:19577443" , + "PMID:19839488" , + "PMID:3947421" , + "PMID:6771085" , + "PMID:7073801" , + "PMID:7395526" , + "PMID:8692229" , + "Reaxys:11343356" , + "Wikipedia:Potassium_chromate" ; + oboInOwl:hasExactSynonym "Potassium chromate" , + "dipotassium dioxido(dioxo)chromium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Bipotassium chromate" , + "Chromic acid, dipotassium salt" , + "Dipotassium chromate" , + "Dipotassium monochromate" , + "Potassium chromate(VI)" ; + oboInOwl:id "CHEBI:75249" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium chromate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7789-00-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1372703" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1858300" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1897900" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19577443" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:19839488" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3947421" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6771085" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7073801" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:7395526" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8692229" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11343356" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Potassium chromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "dipotassium dioxido(dioxo)chromium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Bipotassium chromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chromic acid, dipotassium salt" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dipotassium chromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Dipotassium monochromate" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_75249 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Potassium chromate(VI)" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_76107 +obo:CHEBI_76107 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_139358 ; + obo:IAO_0000115 "Any isotopically modified compound that has one or more hydrogen atoms replaced by deuterium." ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2)H-labeled compound" , + "(2)H-labeled compounds" , + "(2)H-labelled compound" , + "(2)H-labelled compounds" , + "deuterated compounds" , + "deuterium-labeled compound" , + "deuterium-labeled compounds" , + "deuterium-labelled compound" , + "deuterium-labelled compounds" ; + oboInOwl:id "CHEBI:76107" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "deuterated compound" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labeled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labeled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labelled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2)H-labelled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterated compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labeled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labeled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labelled compound" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_76107 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterium-labelled compounds" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_77701 +obo:CHEBI_77701 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models." ; + chebi:charge "0" ; + chebi:formula "CH3NO2" ; + chebi:inchi "InChI=1S/CH3NO2/c1-2(3)4/h1H3" ; + chebi:inchikey "LYGJENNIWJXYER-UHFFFAOYSA-N" ; + chebi:mass "61.04000" ; + chebi:monoisotopicmass "61.01638" ; + chebi:smiles "C[N+]([O-])=O" ; + oboInOwl:hasDbXref "CAS:75-52-5" , + "KEGG:C19275" , + "MetaCyc:CPD-8133" , + "PMID:11100413" , + "PMID:21860501" , + "PMID:26735907" , + "PMID:26800205" , + "PMID:4207867" , + "PMID:999282" , + "Reaxys:1698205" , + "Wikipedia:Nitromethane" ; + oboInOwl:hasExactSynonym "nitromethane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "CH3NO2" , + "MeNO2" ; + oboInOwl:id "CHEBI:77701" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "nitromethane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-52-5" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-52-5" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-52-5" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11100413" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:21860501" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26735907" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:26800205" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:4207867" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:999282" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1698205" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "nitromethane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CH3NO2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_77701 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "MeNO2" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_78217 +obo:CHEBI_78217 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium." ; + chebi:charge "0" ; + chebi:formula "C3D6O" ; + chebi:inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3" ; + chebi:inchikey "CSCPPACGZOOCGX-WFGJKAKNSA-N" ; + chebi:mass "64.117" ; + chebi:monoisotopicmass "64.07953" ; + chebi:smiles "[2H]C([2H])([2H])C(=O)C([2H])([2H])[2H]" ; + oboInOwl:hasDbXref "CAS:666-52-4" , + "Reaxys:1702935" , + "Wikipedia:Deuterated_acetone" ; + oboInOwl:hasExactSynonym "((2)H6)propan-2-one" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H6)Acetone" , + "(CD3)2CO" , + "2-Propanone-1,1,1,3,3,3-D6" , + "Acetone-d6" , + "Perdeuteroacetone" , + "hexadeuteroacetone" ; + oboInOwl:id "CHEBI:78217" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "acetone d6" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:666-52-4" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:666-52-4" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1702935" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "((2)H6)propan-2-one" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H6)Acetone" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CD3)2CO" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "2-Propanone-1,1,1,3,3,3-D6" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Acetone-d6" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Perdeuteroacetone" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78217 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "hexadeuteroacetone" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_78672 +obo:CHEBI_78672 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_24835 , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An inorganic chloride composed of rubidium and chloride ions in a 1:1 ratio." ; + chebi:charge "0" ; + chebi:formula "ClRb" ; + chebi:inchi "InChI=1S/ClH.Rb/h1H;/q;+1/p-1" ; + chebi:inchikey "FGDZQCVHDSGLHJ-UHFFFAOYSA-M" ; + chebi:mass "120.92100" ; + chebi:monoisotopicmass "119.88064" ; + chebi:smiles "[Cl-].[Rb+]" ; + oboInOwl:hasDbXref "CAS:7791-11-9" , + "PMID:108740" , + "PMID:1159626" , + "PMID:1748232" , + "PMID:2010564" , + "PMID:3311597" , + "PMID:3379141" , + "PMID:349155" , + "PMID:5436089" , + "PMID:5561654" , + "PMID:6206870" , + "PMID:6705481" , + "PMID:690649" , + "PMID:8412574" , + "PMID:8926857" , + "Reaxys:3534980" , + "Reaxys:9321247" , + "Wikipedia:Rubidium_chloride" ; + oboInOwl:hasExactSynonym "rubidium chloride" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Rubidium monochloride" ; + oboInOwl:id "CHEBI:78672" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "rubidium chloride" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7791-11-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7791-11-9" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:108740" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1159626" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:1748232" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:2010564" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3311597" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:3379141" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:349155" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5436089" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:5561654" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6206870" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:6705481" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:690649" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8412574" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:8926857" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:3534980" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:9321247" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "rubidium chloride" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_78672 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Rubidium monochloride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_8346 +obo:CHEBI_8346 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals." ; + chebi:charge "0" ; + chebi:formula "IK" , + "K.I" ; + chebi:inchi "InChI=1S/HI.K/h1H;/q;+1/p-1" ; + chebi:inchikey "NLKNQRATVPKPDG-UHFFFAOYSA-M" ; + chebi:mass "166.00277" ; + chebi:monoisotopicmass "165.86818" ; + chebi:smiles "[K+].[I-]" ; + oboInOwl:hasDbXref "CAS:7681-11-0" , + "KEGG:C08219" , + "KEGG:D01016" , + "PMID:11004629" , + "PMID:15206581" , + "PMID:23475155" , + "PMID:23793210" , + "PMID:24044784" , + "PMID:24635765" , + "PPDB:1529" , + "Wikipedia:Potassium_Iodide" ; + oboInOwl:hasExactSynonym "Potassium iodide" , + "potassium iodide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "KI" , + "Kaliumiodid" ; + oboInOwl:id "CHEBI:8346" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "potassium iodide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7681-11-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7681-11-0" ; + oboInOwl:source "KEGG COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:7681-11-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:11004629" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:15206581" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23475155" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23793210" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24044784" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:24635765" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "Potassium iodide" ; + oboInOwl:hasDbXref "KEGG_COMPOUND" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "potassium iodide" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "KI" ; + oboInOwl:hasDbXref "IUPAC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_8346 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Kaliumiodid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85361 +obo:CHEBI_85361 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + , + , + obo:CHEBI_33579 ; + obo:IAO_0000115 "An organosilicon compound that is silane in which the hydrogens have been replaced by methyl groups." ; + chebi:charge "0" ; + chebi:formula "C4H12Si" ; + chebi:inchi "InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3" ; + chebi:inchikey "CZDYPVPMEAXLPK-UHFFFAOYSA-N" ; + chebi:mass "88.22360" ; + chebi:monoisotopicmass "88.07083" ; + chebi:smiles "C[Si](C)(C)C" ; + oboInOwl:hasDbXref "CAS:75-76-3" , + "Reaxys:1696908" ; + oboInOwl:hasExactSynonym "tetramethylsilane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(CH3)4Si" , + "Me4Si" , + "Si(CH3)4" , + "SiMe4" , + "TMS" , + "Tetramethyl silane" , + "Tetramethylsilicane" ; + oboInOwl:id "CHEBI:85361" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "tetramethylsilane" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-76-3" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:75-76-3" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1696908" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetramethylsilane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(CH3)4Si" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Me4Si" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Si(CH3)4" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "SiMe4" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMS" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tetramethyl silane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85361 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Tetramethylsilicane" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85362 +obo:CHEBI_85362 rdf:type owl:Class ; + rdfs:subClassOf , + , + , + obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An alkanesulfonic acid that is propanesulfonic acid substituted at position 3 by a trimethylsilyl group." ; + chebi:charge "0" ; + chebi:formula "C6H16O3SSi" ; + chebi:inchi "InChI=1S/C6H16O3SSi/c1-11(2,3)6-4-5-10(7,8)9/h4-6H2,1-3H3,(H,7,8,9)" ; + chebi:inchikey "TVZRAEYQIKYCPH-UHFFFAOYSA-N" ; + chebi:mass "196.340" ; + chebi:monoisotopicmass "196.05894" ; + chebi:smiles "C[Si](CCCS(O)(=O)=O)(C)C" ; + oboInOwl:hasDbXref "CAS:18173-90-5" , + "Reaxys:1860132" , + "Wikipedia:DSS_(NMR_standard)" ; + oboInOwl:hasExactSynonym "3-(trimethylsilyl)propane-1-sulfonic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "2,2-dimethyl-2-silapentane-5-sulfonic acid" , + "4,4-dimethyl-4-silapentane-1-sulfonic acid" , + "DSS" ; + oboInOwl:id "CHEBI:85362" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "3-(trimethylsilyl)propane-1-sulfonic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:18173-90-5" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1860132" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)propane-1-sulfonic acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "2,2-dimethyl-2-silapentane-5-sulfonic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "4,4-dimethyl-4-silapentane-1-sulfonic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85362 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "DSS" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85363 +obo:CHEBI_85363 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An organic sodium salt composed of sodium and 3-(trimethylsilyl)propionate ions in a 1:1 ratio. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." ; + chebi:charge "0" ; + chebi:formula "C6H13NaO2Si" ; + chebi:inchi "InChI=1S/C6H14O2Si.Na/c1-9(2,3)5-4-6(7)8;/h4-5H2,1-3H3,(H,7,8);/q;+1/p-1" ; + chebi:inchikey "OIIWPAYIXDCDNL-UHFFFAOYSA-M" ; + chebi:mass "168.24150" ; + chebi:monoisotopicmass "168.05825" ; + chebi:smiles "[Na+].C[Si](C)(C)CCC([O-])=O" ; + oboInOwl:hasDbXref "CAS:37013-20-0" , + "Reaxys:4021529" ; + oboInOwl:hasExactSynonym "sodium 3-(trimethylsilyl)propanoate" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "TMSP" , + "TSP" , + "sodium trimethylsilylpropanoate" , + "sodium trimethylsilylpropionate" ; + oboInOwl:id "CHEBI:85363" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "sodium 3-(trimethylsilyl)propionate" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:37013-20-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:4021529" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "sodium 3-(trimethylsilyl)propanoate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMSP" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TSP" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium trimethylsilylpropanoate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85363 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "sodium trimethylsilylpropionate" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85364 +obo:CHEBI_85364 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An ammonium salt composed of ammonium and bromide ions in a 1:1 ratio." ; + chebi:charge "0" ; + chebi:formula "BrH4N" ; + chebi:inchi "InChI=1S/BrH.H3N/h1H;1H3" ; + chebi:inchikey "SWLVFNYSXGMGBS-UHFFFAOYSA-N" ; + chebi:mass "97.94200" ; + chebi:monoisotopicmass "96.95271" ; + chebi:smiles "[NH4+].[Br-]" ; + oboInOwl:hasDbXref "CAS:12124-97-9" , + "Reaxys:13202152" , + "Wikipedia:Ammonium_bromide" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "NH4Br" ; + oboInOwl:id "CHEBI:85364" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "ammonium bromide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:12124-97-9" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:12124-97-9" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:13202152" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85364 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "NH4Br" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85365 +obo:CHEBI_85365 rdf:type owl:Class ; + rdfs:subClassOf , + obo:CHEBI_33579 , + obo:CHEBI_36357 , + obo:CHEBI_76107 ; + obo:IAO_0000115 "A deuterated compound that is an isotopologue of chloroform in which the hydrogen atom is replaced with deuterium. Commonly used as a solvent in proton NMR spectroscopy." ; + chebi:charge "0" ; + chebi:formula "CDCl3" ; + chebi:inchi "InChI=1S/CHCl3/c2-1(3)4/h1H/i1D" ; + chebi:inchikey "HEDRZPFGACZZDS-MICDWDOJSA-N" ; + chebi:mass "120.380" ; + chebi:monoisotopicmass "118.92066" ; + chebi:smiles "[2H]C(Cl)(Cl)Cl" ; + oboInOwl:hasDbXref "CAS:865-49-6" , + "PMID:29864274" , + "PMID:32562503" , + "Reaxys:1697633" , + "Wikipedia:Deuterated_chloroform" ; + oboInOwl:hasExactSynonym "trichloro((2)H)methane" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "(2H)Chloroform" , + "CDCl3" , + "Chloroform-D" , + "Trichloromethane-d" , + "Trichloromethane-d1" , + "deuterochloroform" ; + oboInOwl:id "CHEBI:85365" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "deuterated chloroform" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty rdfs:subClassOf ; + owl:annotatedTarget ; + oboInOwl:is_inferred "true" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:865-49-6" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:865-49-6" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:29864274" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:32562503" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1697633" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "trichloro((2)H)methane" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "(2H)Chloroform" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CDCl3" ; + oboInOwl:hasDbXref "SUBMITTER" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Chloroform-D" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trichloromethane-d" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Trichloromethane-d1" ; + oboInOwl:hasDbXref "NIST_Chemistry_WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85365 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "deuterochloroform" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_85487 +obo:CHEBI_85487 rdf:type owl:Class ; + rdfs:subClassOf obo:CHEBI_33579 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O)." ; + chebi:charge "0" ; + chebi:formula "C6H14O2Si" ; + chebi:inchi "InChI=1S/C6H14O2Si/c1-9(2,3)5-4-6(7)8/h4-5H2,1-3H3,(H,7,8)" ; + chebi:inchikey "NONFLFDSOSZQHR-UHFFFAOYSA-N" ; + chebi:mass "146.25970" ; + chebi:monoisotopicmass "146.07631" ; + chebi:smiles "C[Si](C)(C)CCC(O)=O" ; + oboInOwl:hasDbXref "CAS:5683-30-7" , + "Reaxys:1747261" , + "Wikipedia:Trimethylsilyl_propanoic_acid" ; + oboInOwl:hasExactSynonym "3-(trimethylsilyl)propanoic acid" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "3-trimethylsilylpropanoic acid" , + "3-trimethylsilylpropionic acid" , + "TMSP" , + "TSP" ; + oboInOwl:id "CHEBI:85487" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "3-(trimethylsilyl)propionic acid" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:5683-30-7" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:1747261" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "3-(trimethylsilyl)propanoic acid" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "3-trimethylsilylpropanoic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "3-trimethylsilylpropionic acid" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TMSP" ; + oboInOwl:hasDbXref "ChEBI" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_85487 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "TSP" ; + oboInOwl:hasDbXref "ChEBI" + ] . + + +### http://purl.obolibrary.org/obo/CHEBI_88215 +obo:CHEBI_88215 rdf:type owl:Class ; + rdfs:subClassOf , + , + obo:CHEBI_33497 , + obo:CHEBI_36357 ; + obo:IAO_0000115 "An osmium coordination entity consisting of four oxygen atoms bound to a central osmium atom via covalent double bonds." ; + chebi:charge "0" ; + chebi:formula "O4Os" ; + chebi:inchi "InChI=1S/4O.Os" ; + chebi:inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N" ; + chebi:mass "254.222" ; + chebi:monoisotopicmass "255.94114" ; + chebi:smiles "O=[Os](=O)(=O)=O" ; + oboInOwl:hasDbXref "CAS:20816-12-0" , + "PMID:12530969" , + "PMID:23975065" , + "PMID:25871651" , + "Reaxys:11406415" , + "Wikipedia:Osmium_tetroxide" ; + oboInOwl:hasExactSynonym "tetraoxoosmium" ; + oboInOwl:hasOBONamespace "chebi_ontology" ; + oboInOwl:hasRelatedSynonym "Osmic acid" , + "Osmic acid anhydride" , + "Osmium oxide" , + "Osmium tetraoxide" , + "Perosmic acid anhydride" , + "Perosmic oxide" ; + oboInOwl:id "CHEBI:88215" ; + oboInOwl:inSubset chebi3:_STAR ; + rdfs:label "osmium tetroxide" . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:20816-12-0" ; + oboInOwl:source "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "CAS:20816-12-0" ; + oboInOwl:source "NIST Chemistry WebBook" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:12530969" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:23975065" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "PMID:25871651" ; + oboInOwl:source "Europe PMC" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasDbXref ; + owl:annotatedTarget "Reaxys:11406415" ; + oboInOwl:source "Reaxys" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "tetraoxoosmium" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmic acid" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmic acid anhydride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmium oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Osmium tetraoxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Perosmic acid anhydride" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_88215 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "Perosmic oxide" ; + oboInOwl:hasDbXref "ChemIDplus" + ] . + + +### http://purl.obolibrary.org/obo/IAO_0000005 +obo:IAO_0000005 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000033 ; + obo:IAO_0000111 "objective specification"@en ; + obo:IAO_0000112 "In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved."@en ; + obo:IAO_0000116 "2009-03-16: original definition when imported from OBI read: \"objective is an non realizable information entity which can serve as that proper part of a plan towards which the realization of the plan is directed.\""@en , + "2014-03-31: In the example of usage (\"In the protocol of a ChIP assay the objective specification says to identify protein and DNA interaction\") there is a protocol which is the ChIP assay protocol. In addition to being concretized on paper, the protocol can be concretized as a realizable entity, such as a plan that inheres in a person. The objective specification is the part that says that some protein and DNA interactions are identified. This is a specification of a process endpoint: the boundary in the process before which they are not identified and after which they are. During the realization of the plan, the goal is to get to the point of having the interactions, and participants in the realization of the plan try to do that."@en , + "Answers the question, why did you do this experiment?"@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Barry Smith"@en , + "PERSON: Bjoern Peters"@en , + "PERSON: Jennifer Fostel"@en ; + obo:IAO_0000118 "goal specification"@en ; + obo:IAO_0000119 "OBI Plan and Planned Process/Roles Branch"@en , + "OBI_0000217"@en ; + rdfs:label "objective specification"@en . + + +### http://purl.obolibrary.org/obo/IAO_0000007 +obo:IAO_0000007 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000033 ; + obo:IAO_0000112 "Pour the contents of flask 1 into flask 2"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A directive information entity that describes an action the bearer will take."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "OBI Plan and Planned Process branch"@en ; + rdfs:label "action specification"@en . + + +### http://purl.obolibrary.org/obo/IAO_0000027 +obo:IAO_0000027 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000030 ; + obo:IAO_0000111 "data item"@en ; + obo:IAO_0000112 "Data items include counts of things, analyte concentrations, and statistical summaries."@en ; + obo:IAO_0000114 obo:IAO_0000125 ; + obo:IAO_0000115 "An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements."@en ; + obo:IAO_0000116 "2/2/2009 Alan and Bjoern discussing FACS run output data. This is a data item because it is about the cell population. Each element records an event and is typically further composed a set of measurment data items that record the fluorescent intensity stimulated by one of the lasers."@en , + "2009-03-16: data item deliberatly ambiguous: we merged data set and datum to be one entity, not knowing how to define singular versus plural. So data item is more general than datum."@en , + "2009-03-16: removed datum as alternative term as datum specifically refers to singular form, and is thus not an exact synonym."@en , + "2014-03-31: See discussion at http://odontomachus.wordpress.com/2014/03/30/aboutness-objects-propositions/" , + """JAR: datum -- well, this will be very tricky to define, but maybe some +information-like stuff that might be put into a computer and that is +meant, by someone, to denote and/or to be interpreted by some +process... I would include lists, tables, sentences... I think I might +defer to Barry, or to Brian Cantwell Smith +JAR: A data item is an approximately justified approximately true approximate belief"""@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Chris Stoeckert"@en , + "PERSON: Jonathan Rees"@en ; + obo:IAO_0000118 "data"@en ; + rdfs:label "data item"@en . -### http://purl.obolibrary.org/obo/OBI_0002247 -obo:OBI_0002247 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT1b (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 4 cm but not more than 7 cm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1b (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000030 +obo:IAO_0000030 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000031 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:IAO_0000136 ; + owl:someValuesFrom obo:BFO_0000001 + ] ; + obo:IAO_0000111 "information content entity"@en ; + obo:IAO_0000112 "Examples of information content entites include journal articles, data, graphical layouts, and graphs."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A generically dependent continuant that is about some thing."@en ; + obo:IAO_0000116 "2014-03-10: The use of \"thing\" is intended to be general enough to include universals and configurations (see https://groups.google.com/d/msg/information-ontology/GBxvYZCk1oc/-L6B5fSBBTQJ)."@en , + """information_content_entity 'is_encoded_in' some digital_entity in obi before split (040907). information_content_entity 'is_encoded_in' some physical_document in obi before split (040907). -### http://purl.obolibrary.org/obo/OBI_0002248 -obo:OBI_0002248 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT2 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm in greatest dimension and limited to the kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (kidney)" . +Previous. An information content entity is a non-realizable information entity that 'is encoded in' some digital or physical entity."""@en ; + obo:IAO_0000117 "PERSON: Chris Stoeckert"@en ; + obo:IAO_0000119 "OBI_0000142"@en ; + rdfs:label "information content entity"@en . -### http://purl.obolibrary.org/obo/OBI_0002249 -obo:OBI_0002249 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT2a (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 7 cm but not more than 10 cm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2a (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000033 +obo:IAO_0000033 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000030 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:IAO_0000136 ; + owl:someValuesFrom obo:BFO_0000017 + ] ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "An information content entity whose concretizations indicate to their bearer how to realize them in a process."@en ; + obo:IAO_0000116 "2009-03-16: provenance: a term realizable information entity was proposed for OBI (OBI_0000337) , edited by the PlanAndPlannedProcess branch. Original definition was \"is the specification of a process that can be concretized and realized by an actor\" with alternative term \"instruction\".It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term."@en , + "2013-05-30 Alan Ruttenberg: What differentiates a directive information entity from an information concretization is that it can have concretizations that are either qualities or realizable entities. The concretizations that are realizable entities are created when an individual chooses to take up the direction, i.e. has the intention to (try to) realize it."@en , + "8/6/2009 Alan Ruttenberg: Changed label from \"information entity about a realizable\" after discussions at ICBO"@en , + "Werner pushed back on calling it realizable information entity as it isn't realizable. However this name isn't right either. An example would be a recipe. The realizable entity would be a plan, but the information entity isn't about the plan, it, once concretized, *is* the plan. -Alan"@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Bjoern Peters"@en ; + rdfs:label "directive information entity"@en . -### http://purl.obolibrary.org/obo/OBI_0002250 -obo:OBI_0002250 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT2b (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor is more than 10 cm and limited to the kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2b (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000078 +obo:IAO_0000078 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:oneOf ( obo:IAO_0000002 + obo:IAO_0000120 + obo:IAO_0000121 + obo:IAO_0000122 + obo:IAO_0000123 + obo:IAO_0000124 + obo:IAO_0000125 + obo:IAO_0000423 + obo:IAO_0000428 + ) + ] ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "curation status specification"@en ; + obo:IAO_0000114 obo:IAO_0000125 ; + obo:IAO_0000115 "The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; + obo:IAO_0000116 "Better to represent curation as a process with parts and then relate labels to that process (in IAO meeting)"@en ; + obo:IAO_0000117 "PERSON:Bill Bug"@en ; + obo:IAO_0000119 "GROUP:OBI:"@en , + "OBI_0000266"@en ; + rdfs:label "curation status specification"@en . -### http://purl.obolibrary.org/obo/OBI_0002251 -obo:OBI_0002251 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor extends into major veins or perinephric tissues but not into the ipsilateral adrenal gland and not beyond the Gerota fascia." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000102 +obo:IAO_0000102 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000027 ; + obo:IAO_0000111 "data about an ontology part"@en ; + obo:IAO_0000115 "Data about an ontology part is a data item about a part of an ontology, for example a term"@en ; + obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; + rdfs:label "data about an ontology part"@en . -### http://purl.obolibrary.org/obo/OBI_0002252 -obo:OBI_0002252 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3a (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into the renal vein or its segmental (muscle containing) branches, or the tumor invades perirenal and/or renal sinus fat (peripelvic) fat but not beyond Gerota fascia." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3a (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000104 +obo:IAO_0000104 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000033 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:IAO_0000005 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:IAO_0000007 + ] ; + obo:IAO_0000111 "plan specification"@en ; + obo:IAO_0000112 "PMID: 18323827.Nat Med. 2008 Mar;14(3):226.New plan proposed to help resolve conflicting medical advice."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A directive information entity with action specifications and objective specifications as parts, and that may be concretized as a realizable entity that, if realized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified."@en ; + obo:IAO_0000116 "2009-03-16: provenance: a term a plan was proposed for OBI (OBI_0000344) , edited by the PlanAndPlannedProcess branch. Original definition was \" a plan is a specification of a process that is realized by an actor to achieve the objective specified as part of the plan\". It has been subsequently moved to IAO where the objective for which the original term was defined was satisfied with the definitionof this, different, term."@en , + "2014-03-31: A plan specification can have other parts, such as conditional specifications."@en , + "2022-01-16 Updated definition to that proposed by Clint Dowloand, IAO Issue 231."@en , + "Alternative previous definition: a plan is a set of instructions that specify how an objective should be achieved"@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en , + "Clint Dowland"@en ; + obo:IAO_0000119 "OBI Plan and Planned Process branch"@en , + "OBI_0000344"@en ; + rdfs:comment """2/3/2009 Comment from OBI review. +Action specification not well enough specified. +Conditional specification not well enough specified. +Question whether all plan specifications have objective specifications. -### http://purl.obolibrary.org/obo/OBI_0002253 -obo:OBI_0002253 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3b (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava below diaphragm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3b (kidney)" . +Request that IAO either clarify these or change definitions not to use them"""@en ; + rdfs:label "plan specification"@en ; + rdfs:seeAlso "https://github.com/information-artifact-ontology/IAO/issues/231#issuecomment-1010455131"@en . -### http://purl.obolibrary.org/obo/OBI_0002254 -obo:OBI_0002254 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT3c (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor grossly extends into vena cava above the diaphragm or Invades the wall of the vena cava." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3c (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000140 +obo:IAO_0000140 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000027 ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "A settings datum is a datum that denotes some configuration of an instrument."@en ; + obo:IAO_0000116 """2/3/2009 Feedback from OBI +This should be a \"setting specification\". There is a question of whether it is information about a realizable or not. -### http://purl.obolibrary.org/obo/OBI_0002255 -obo:OBI_0002255 rdf:type owl:NamedIndividual , - obo:OBI_0002243 ; - obo:IAO_0000111 "pT4 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for kidney according to AJCC 7th edition indicating that the tumor invades beyond Gerota fascia (including contiguous extension into the ipsilateral adrenal gland)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT4 (kidney)" . +Pro other specification are about realizables. +Cons sometimes specifies a quality which is not a realizable."""@en , + "Alan grouped these in placeholder for the moment. Name by analogy to measurement datum."@en ; + rdfs:label "setting datum"@en . -### http://purl.obolibrary.org/obo/OBI_0002257 -obo:OBI_0002257 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT0 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that there is no evidence of primary tumor." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT0 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000225 +obo:IAO_0000225 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:oneOf ( obo:IAO_0000103 + obo:IAO_0000226 + obo:IAO_0000227 + obo:IAO_0000228 + obo:IAO_0000229 + obo:OMO_0001000 + ) + ] ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "obsolescence reason specification"@en ; + obo:IAO_0000114 obo:IAO_0000125 ; + obo:IAO_0000115 "The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value."@en ; + obo:IAO_0000116 "The creation of this class has been inspired in part by Werner Ceusters' paper, Applying evolutionary terminology auditing to the Gene Ontology."@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Melanie Courtot"@en ; + rdfs:label "obsolescence reason specification"@en . -### http://purl.obolibrary.org/obo/OBI_0002258 -obo:OBI_0002258 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to the ovaries (one or both)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000409 +obo:IAO_0000409 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Class ; + owl:oneOf ( obo:IAO_0000410 + obo:IAO_0000420 + obo:IAO_0000421 + ) + ] ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "denotator type"@en ; + obo:IAO_0000112 "The Basic Formal Ontology ontology makes a distinction between Universals and defined classes, where the formal are \"natural kinds\" and the latter arbitrary collections of entities."@en ; + obo:IAO_0000115 "A denotator type indicates how a term should be interpreted from an ontological perspective."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "Barry Smith, Werner Ceusters"@en ; + rdfs:label "denotator type"@en . -### http://purl.obolibrary.org/obo/OBI_0002259 -obo:OBI_0002259 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1a (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one ovary; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1a (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000000 +obo:IAO_8000000 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000102 ; + obo:IAO_0000111 "ontology module"@en ; + obo:IAO_0000116 "I have placed this under 'data about an ontology part', but this can be discussed. I think this is OK if 'part' is interpreted reflexively, as an ontology module is the whole ontology rather than part of it."@en ; + obo:IAO_0000118 "ontology file"@en ; + obo:IAO_0000232 "This class and it's subclasses are applied to OWL ontologies. Using an rdf:type triple will result in problems with OWL-DL. I propose that dcterms:type is instead used to connect an ontology URI with a class from this hierarchy. The class hierarchy is not disjoint, so multiple assertions can be made about a single ontology."@en ; + rdfs:label "ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002260 -obo:OBI_0002260 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1b (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to both ovaries; capsule intact, no tumor on ovarian surface and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1b (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000001 +obo:IAO_8000001 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "base ontology module"@en ; + obo:IAO_0000115 "An ontology module that comprises only of asserted axioms local to the ontology, excludes import directives, and excludes axioms or declarations from external ontologies."@en ; + rdfs:label "base ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000002 +obo:IAO_8000002 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "editors ontology module"@en ; + obo:IAO_0000115 "An ontology module that is intended to be directly edited, typically managed in source control, and typically not intended for direct consumption by end-users."@en ; + obo:IAO_0000118 "source ontology module"@en ; + rdfs:label "editors ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000003 +obo:IAO_8000003 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "main release ontology module"@en ; + obo:IAO_0000115 "An ontology module that is intended to be the primary release product and the one consumed by the majority of tools."@en ; + obo:IAO_0000116 "TODO: Add logical axioms that state that a main release ontology module is derived from (directly or indirectly) an editors module"@en ; + rdfs:label "main release ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000004 +obo:IAO_8000004 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "bridge ontology module"@en ; + obo:IAO_0000115 "An ontology module that consists entirely of axioms that connect or bridge two distinct ontology modules. For example, the Uberon-to-ZFA bridge module."@en ; + rdfs:label "bridge ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000005 +obo:IAO_8000005 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "import ontology module"@en ; + obo:IAO_0000115 "A subset ontology module that is intended to be imported from another ontology."@en ; + obo:IAO_0000116 "TODO: add axioms that indicate this is the output of a module extraction process."@en ; + obo:IAO_0000118 "import file"@en ; + rdfs:label "import ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000006 +obo:IAO_8000006 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "subset ontology module"@en ; + obo:IAO_0000115 "An ontology module that is extracted from a main ontology module and includes only a subset of entities or axioms."@en ; + obo:IAO_0000118 "ontology slim"@en , + "subset ontology"@en ; + rdfs:label "subset ontology module"@en ; + rdfs:seeAlso , + . + + +### http://purl.obolibrary.org/obo/IAO_8000007 +obo:IAO_8000007 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "curation subset ontology module"@en ; + obo:IAO_0000115 "A subset ontology that is intended as a whitelist for curators using the ontology. Such a subset will exclude classes that curators should not use for curation."@en ; + rdfs:label "curation subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000008 +obo:IAO_8000008 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "analysis ontology module"@en ; + obo:IAO_0000115 "An ontology module that is intended for usage in analysis or discovery applications."@en ; + rdfs:label "analysis subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000009 +obo:IAO_8000009 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "single layer ontology module"@en ; + obo:IAO_0000115 "A subset ontology that is largely comprised of a single layer or strata in an ontology class hierarchy. The purpose is typically for rolling up for visualization. The classes in the layer need not be disjoint."@en ; + obo:IAO_0000118 "ribbon subset"@en ; + rdfs:label "single layer subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000010 +obo:IAO_8000010 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "exclusion subset ontology module"@en ; + obo:IAO_0000115 "A subset of an ontology that is intended to be excluded for some purpose. For example, a blacklist of classes."@en ; + obo:IAO_0000118 "antislim"@en ; + rdfs:label "exclusion subset ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000011 +obo:IAO_8000011 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000005 ; + obo:IAO_0000111 "external import ontology module"@en ; + obo:IAO_0000115 "An imported ontology module that is derived from an external ontology. Derivation methods include the OWLAPI SLME approach."@en ; + obo:IAO_0000118 "external import"@en ; + rdfs:label "external import ontology module"@en . + + +### http://purl.obolibrary.org/obo/IAO_8000012 +obo:IAO_8000012 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "species subset ontology module"@en ; + obo:IAO_0000115 "A subset ontology that is crafted to either include or exclude a taxonomic grouping of species."@en ; + obo:IAO_0000118 "taxon subset"@en ; + rdfs:label "species subset ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000013 +obo:IAO_8000013 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "reasoned ontology module"@en ; + obo:IAO_0000115 "An ontology module that contains axioms generated by a reasoner. The generated axioms are typically direct SubClassOf axioms, but other possibilities are available."@en ; + rdfs:label "reasoned ontology module"@en ; + rdfs:seeAlso . + + +### http://purl.obolibrary.org/obo/IAO_8000014 +obo:IAO_8000014 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000000 ; + obo:IAO_0000111 "generated ontology module"@en ; + obo:IAO_0000115 "An ontology module that is automatically generated, for example via a SPARQL query or via template and a CSV."@en ; + obo:IAO_0000116 "TODO: Add axioms (using PROV-O?) that indicate this is the output-of some reasoning process"@en ; + rdfs:label "generated ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002261 -obo:OBI_0002261 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT1c (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor is limited to one or both ovaries with capsule ruptured, tumor on ovarian surface, or malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT1c (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000015 +obo:IAO_8000015 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000014 ; + obo:IAO_0000111 "template generated ontology module"@en ; + obo:IAO_0000115 "An ontology module that is automatically generated from a template specification and fillers for slots in that template."@en ; + rdfs:label "template generated ontology module"@en ; + rdfs:seeAlso , + , + . -### http://purl.obolibrary.org/obo/OBI_0002262 -obo:OBI_0002262 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with pelvic extension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000016 +obo:IAO_8000016 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000004 ; + obo:IAO_0000111 "taxonomic bridge ontology module"@en ; + rdfs:label "taxonomic bridge ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002263 -obo:OBI_0002263 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2a (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension and/or implants on uterus and/or tube(s) and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2a (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000017 +obo:IAO_8000017 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000006 ; + obo:IAO_0000111 "ontology module subsetted by expressivity"@en ; + rdfs:label "ontology module subsetted by expressivity"@en . -### http://purl.obolibrary.org/obo/OBI_0002264 -obo:OBI_0002264 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2b (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has extension to other pelvic tissues and no malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2b (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000018 +obo:IAO_8000018 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000017 ; + obo:IAO_0000111 "obo basic subset ontology module"@en ; + obo:IAO_0000115 """A subset ontology that is designed for basic applications to continue to make certain simplifying assumptions; many of these simplifying assumptions were based on the initial version of the Gene Ontology, and have become enshrined in many popular and useful tools such as term enrichment tools. +Examples of such assumptions include: traversing the ontology graph ignoring relationship types using a naive algorithm will not lead to cycles (i.e. the ontology is a DAG); every referenced term is declared in the ontology (i.e. there are no dangling clauses). -### http://purl.obolibrary.org/obo/OBI_0002265 -obo:OBI_0002265 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT2c (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has pelvic extension with malignant cells in ascites or peritoneal washings." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT2c (ovary)" . +An ontology is OBO Basic if and only if it has the following characteristics: +DAG +Unidirectional +No Dangling Clauses +Fully Asserted +Fully Labeled +No equivalence axioms +Singly labeled edges +No qualifier lists +No disjointness axioms +No owl-axioms header +No imports"""@en ; + rdfs:label "obo basic subset ontology module"@en ; + rdfs:seeAlso . -### http://purl.obolibrary.org/obo/OBI_0002266 -obo:OBI_0002266 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor involves one or both ovaries with microscopically confirmed peritoneal metastasis outside the pelvis and/or regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000019 +obo:IAO_8000019 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000017 ; + obo:IAO_0000111 "ontology module subsetted by OWL profile"@en ; + rdfs:label "ontology module subsetted by OWL profile"@en . -### http://purl.obolibrary.org/obo/OBI_0002267 -obo:OBI_0002267 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3a (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has microscopic peritoneal metastasis beyond pelvis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3a (ovary)" . +### http://purl.obolibrary.org/obo/IAO_8000020 +obo:IAO_8000020 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_8000019 ; + obo:IAO_0000111 "EL++ ontology module"@en ; + rdfs:label "EL++ ontology module"@en . -### http://purl.obolibrary.org/obo/OBI_0002268 -obo:OBI_0002268 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3b (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has macroscopic peritoneal, metastatasis beyond pelvis, 2 cm or less in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3b (ovary)" . +### http://purl.obolibrary.org/obo/NCBITaxon_9606 +obo:NCBITaxon_9606 rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002269 -obo:OBI_0002269 rdf:type owl:NamedIndividual , - obo:OBI_0002256 ; - obo:IAO_0000111 "pT3c (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic primary tumor stage for ovary according to AJCC 7th edition indicating that the tumor has peritoneal metastasis beyond pelvis, more than 2 cm in greatest dimension and/or regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_t/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pT3c (ovary)" . +### http://purl.obolibrary.org/obo/OBI_0000011 +obo:OBI_0000011 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000055 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000059 ; + owl:someValuesFrom obo:IAO_0000104 + ] + ] ; + rdfs:subClassOf obo:BFO_0000015 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000055 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000059 ; + owl:someValuesFrom obo:IAO_0000104 + ] + ] ; + obo:IAO_0000111 "planned process" ; + obo:IAO_0000112 "Injecting mice with a vaccine in order to test its efficacy" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A process that realizes a plan which is the concretization of a plan specification."@en ; + obo:IAO_0000116 "'Plan' includes a future direction sense. That can be problematic if plans are changed during their execution. There are however implicit contingencies for protocols that an agent has in his mind that can be considered part of the plan, even if the agent didn't have them in mind before. Therefore, a planned process can diverge from what the agent would have said the plan was before executing it, by adjusting to problems encountered during execution (e.g. choosing another reagent with equivalent properties, if the originally planned one has run out.)" , + """We are only considering successfully completed planned processes. A plan may be modified, and details added during execution. For a given planned process, the associated realized plan specification is the one encompassing all changes made during execution. This means that all processes in which an agent acts towards achieving some +objectives is a planned process.""" ; + obo:IAO_0000117 "Bjoern Peters" ; + obo:IAO_0000119 "branch derived" ; + obo:IAO_0000232 "6/11/9: Edited at workshop. Used to include: is initiated by an agent" , + "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)"@en ; + rdfs:label "planned process"@en . -### http://purl.obolibrary.org/obo/OBI_0002271 -obo:OBI_0002271 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN0 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating no regional lymph node metastsis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000047 +obo:OBI_0000047 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:BFO_0000040 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000312 ; + owl:someValuesFrom obo:OBI_0000094 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:BFO_0000040 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000312 ; + owl:someValuesFrom obo:OBI_0000094 + ] ; + obo:IAO_0000111 "processed material"@en ; + obo:IAO_0000112 "Examples include gel matrices, filter paper, parafilm and buffer solutions, mass spectrometer, tissue samples"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "Is a material entity that is created or changed during material processing."@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en ; + rdfs:label "processed material"@en . -### http://purl.obolibrary.org/obo/OBI_0002272 -obo:OBI_0002272 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1-3 regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000094 +obo:OBI_0000094 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000456 + ] ; + rdfs:subClassOf obo:OBI_0000011 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom obo:OBI_0000047 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000456 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000293 ; + owl:allValuesFrom obo:BFO_0000040 + ] ; + obo:IAO_0000111 "material processing" ; + obo:IAO_0000112 "A cell lysis, production of a cloning vector, creating a buffer." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A planned process which results in physical changes in a specified input material"@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters"@en , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca Serra" ; + obo:IAO_0000118 "material transformation"@en ; + obo:IAO_0000119 "OBI branch derived"@en ; + rdfs:label "material processing"@en . -### http://purl.obolibrary.org/obo/OBI_0002273 -obo:OBI_0002273 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 1 regional lymph node." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1a (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000245 +obo:OBI_0000245 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000111 "organization"@en ; + obo:IAO_0000112 "PMID: 16353909.AAPS J. 2005 Sep 22;7(2):E274-80. Review. The joint food and agriculture organization of the United Nations/World Health Organization Expert Committee on Food Additives and its role in the evaluation of the safety of veterinary drug residues in foods."@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "An entity that can bear roles, has members, and has a set of organization rules. Members of organizations are either organizations themselves or individual people. Members can bear specific organization member roles that are determined in the organization rules. The organization rules also determine how decisions are made on behalf of the organization by the organization members."@en ; + obo:IAO_0000116 """BP: The definition summarizes long email discussions on the OBI developer, roles, biomaterial and denrie branches. It leaves open if an organization is a material entity or a dependent continuant, as no consensus was reached on that. The current placement as material is therefore temporary, in order to move forward with development. Here is the entire email summary, on which the definition is based: +1) there are organization_member_roles (president, treasurer, branch +editor), with individual persons as bearers -### http://purl.obolibrary.org/obo/OBI_0002274 -obo:OBI_0002274 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 2-3 regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1b (colon)" . +2) there are organization_roles (employer, owner, vendor, patent holder) +3) an organization has a charter / rules / bylaws, which specify what roles +there are, how they should be realized, and how to modify the +charter/rules/bylaws themselves. -### http://purl.obolibrary.org/obo/OBI_0002275 -obo:OBI_0002275 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN1c (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating tumor deposit(s), i.e., satellites in the subserosa, or in non-peritonealized pericolic or perirectal soft tissue without regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1c (colon)" . +It is debatable what the organization itself is (some kind of dependent +continuant or an aggregate of people). This also determines who/what the +bearer of organization_roles' are. My personal favorite is still to define +organization as a kind of 'legal entity', but thinking it through leads to +all kinds of questions that are clearly outside the scope of OBI. +Interestingly enough, it does not seem to matter much where we place +organization itself, as long as we can subclass it (University, Corporation, +Government Agency, Hospital), instantiate it (Affymetrix, NCBI, NIH, ISO, +W3C, University of Oklahoma), and have it play roles. -### http://purl.obolibrary.org/obo/OBI_0002276 -obo:OBI_0002276 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN2 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 or more regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2 (colon)" . +This leads to my proposal: We define organization through the statements 1 - +3 above, but without an 'is a' statement for now. We can leave it in its +current place in the is_a hierarchy (material entity) or move it up to +'continuant'. We leave further clarifications to BFO, and close this issue +for now."""@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg" , + "PERSON: Bjoern Peters" , + "PERSON: Philippe Rocca-Serra" , + "PERSON: Susanna Sansone" ; + obo:IAO_0000119 "GROUP: OBI" ; + rdfs:label "organization"@en . -### http://purl.obolibrary.org/obo/OBI_0002277 -obo:OBI_0002277 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN2a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 4 to 6 regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2a (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000370 +obo:OBI_0000370 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 ; + obo:IAO_0000111 "contain function"@en ; + obo:IAO_0000112 "A syringe, a beaker" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A contain function is a function to constrain a material entities location in space"@en ; + obo:IAO_0000117 "Bill Bug" , + "Daniel Schober" , + "Frank Gibson" , + "Melanie Courtot" ; + rdfs:label "contain function"@en . -### http://purl.obolibrary.org/obo/OBI_0002278 -obo:OBI_0002278 rdf:type owl:NamedIndividual , - obo:OBI_0002270 ; - obo:IAO_0000111 "pN2b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for colon and rectum according to AJCC 7th edition indicating metastasis in 7 or more regional lymph nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2b (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000392 +obo:OBI_0000392 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:OBI_0000453 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000051 ; + owl:someValuesFrom obo:OBI_0000455 + ] ; + obo:IAO_0000111 "information processor function"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "An information processor function is a function that converts information from one form to another, by a lossless process or an extraction process."@en ; + obo:IAO_0000117 "Frank Gibson" ; + obo:IAO_0000118 "data processor function"@en ; + rdfs:label "information processor function"@en . -### http://purl.obolibrary.org/obo/OBI_0002280 -obo:OBI_0002280 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN0 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating no regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000453 +obo:OBI_0000453 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000079 ; + owl:someValuesFrom obo:OBI_0000047 + ] ; + obo:IAO_0000111 "measure function"@en ; + obo:IAO_0000112 "A glucometer measures blood glucose concentration, the glucometer has a measure function." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "Measure function is a function that is borne by a processed material and realized in a process in which information about some entity is expressed relative to some reference."@en ; + obo:IAO_0000117 "PERSON: Daniel Schober" , + "PERSON: Helen Parkinson" , + "PERSON: Melanie Courtot" , + "PERSON:Frank Gibson" ; + rdfs:label "measure function"@en . -### http://purl.obolibrary.org/obo/OBI_0002281 -obo:OBI_0002281 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral peribronchial and/or ipsilateral hilar lymph nodes and intrapulmonary nodes, including involvement by direct extension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000455 +obo:OBI_0000455 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000034 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000079 ; + owl:someValuesFrom obo:BFO_0000040 + ] ; + obo:IAO_0000111 "consume data function"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "Process data function is a function that is borne by in a material entity by virtue of its structure. When realized the material entity consumes data."@en ; + obo:IAO_0000117 "PERSON: Daniel Schober" , + "PERSON: Frank Gibson" , + "PERSON: Melanie Courtot" ; + rdfs:label "consume data function"@en . -### http://purl.obolibrary.org/obo/OBI_0002282 -obo:OBI_0002282 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN2 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in ipsilateral mediastinal and/or subcarinal lymph node(s)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN2 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000456 +obo:OBI_0000456 rdf:type owl:Class ; + rdfs:subClassOf obo:IAO_0000005 ; + obo:IAO_0000111 "material transformation objective" ; + obo:IAO_0000112 "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "an objective specifiction that creates an specific output object from input materials."@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters" , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca-Serra" ; + obo:IAO_0000118 "artifact creation objective"@en ; + obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; + rdfs:label "material transformation objective"@en . -### http://purl.obolibrary.org/obo/OBI_0002283 -obo:OBI_0002283 rdf:type owl:NamedIndividual , - obo:OBI_0002279 ; - obo:IAO_0000111 "pN3 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for lung according to AJCC 7th edition indicating metastasis in contralateral mediastinal, contralateral hilar, ipsilateral or contralateral scalene, or supraclavicular lymph node(s)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN3 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0000457 +obo:OBI_0000457 rdf:type owl:Class ; + owl:equivalentClass [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000458 + ] ; + rdfs:subClassOf obo:OBI_0000094 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000293 ; + owl:someValuesFrom obo:BFO_0000040 + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000417 ; + owl:someValuesFrom obo:OBI_0000458 + ] ; + obo:IAO_0000111 "manufacturing" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A planned process with the objective to produce a processed material which will have a function for future use."@en ; + obo:IAO_0000116 "A person or organization (having manufacturer role) is a participant in this process" , + "Manufacturing implies reproducibility and responsibility AR" , + "This includes a single scientist making a processed material for personal use."@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters" , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca-Serra" ; + obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; + rdfs:label "manufacturing"@en . -### http://purl.obolibrary.org/obo/OBI_0002285 -obo:OBI_0002285 rdf:type owl:NamedIndividual , - obo:OBI_0002284 ; - obo:IAO_0000111 "pN0 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is no regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (kidney)" . +### http://purl.obolibrary.org/obo/OBI_0000458 +obo:OBI_0000458 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000456 ; + obo:IAO_0000111 "manufacturing objective" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "is the objective to manufacture a material of a certain function (device)"@en ; + obo:IAO_0000117 "PERSON: Bjoern Peters" , + "PERSON: Frank Gibson" , + "PERSON: Jennifer Fostel" , + "PERSON: Melanie Courtot" , + "PERSON: Philippe Rocca-Serra" ; + obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; + rdfs:label "manufacturing objective"@en . -### http://purl.obolibrary.org/obo/OBI_0002286 -obo:OBI_0002286 rdf:type owl:NamedIndividual , - obo:OBI_0002284 ; - obo:IAO_0000111 "pN1 (kidney)" ; +### http://purl.obolibrary.org/obo/OBI_0000522 +obo:OBI_0000522 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000967 ; + obo:IAO_0000111 "vial" ; obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for kidney according to AJCC 7th edition indicating that there is regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (kidney)" . + obo:IAO_0000115 "A container made from solid material and primarily used for holding liquid."@en ; + obo:IAO_0000117 "https://orcid.org/0000-0002-8844-9165" ; + obo:IAO_0000119 "https://en.wikipedia.org/wiki/Vial" ; + rdfs:label "vial" . -### http://purl.obolibrary.org/obo/OBI_0002288 -obo:OBI_0002288 rdf:type owl:NamedIndividual , - obo:OBI_0002287 ; - obo:IAO_0000111 "pN0 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is no regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN0 (ovary)" . +### http://purl.obolibrary.org/obo/OBI_0000571 +obo:OBI_0000571 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000023 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000052 ; + owl:someValuesFrom [ rdf:type owl:Class ; + owl:unionOf ( obo:NCBITaxon_9606 + obo:OBI_0000245 + ) + ] + ] ; + obo:IAO_0000111 "manufacturer role" ; + obo:IAO_0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process."@en ; + obo:IAO_0000117 "GROUP: Role Branch" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "manufacturer role" . -### http://purl.obolibrary.org/obo/OBI_0002289 -obo:OBI_0002289 rdf:type owl:NamedIndividual , - obo:OBI_0002287 ; - obo:IAO_0000111 "pN1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic lymph node stage for ovary according to AJCC 7th edition indicating that there is regional lymph node metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_n/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pN1 (ovary)" . +### http://purl.obolibrary.org/obo/OBI_0000832 +obo:OBI_0000832 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000968 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000453 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000453 + ] ; + obo:IAO_0000111 "measurement device" ; + obo:IAO_0000112 "A ruler, a microarray scanner, a Geiger counter." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A device in which a measure function inheres."@en ; + obo:IAO_0000117 "GROUP:OBI Philly workshop" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "measurement device" . -### http://purl.obolibrary.org/obo/OBI_0002291 -obo:OBI_0002291 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM0 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there are no symptoms or signs of distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000835 +obo:OBI_0000835 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( [ rdf:type owl:Class ; + owl:unionOf ( obo:NCBITaxon_9606 + obo:OBI_0000245 + ) + ] + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:OBI_0000571 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:BFO_0000040 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:OBI_0000571 + ] ; + obo:IAO_0000111 "manufacturer" ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "A person or organization that has a manufacturer role."@en ; + rdfs:label "manufacturer" . -### http://purl.obolibrary.org/obo/OBI_0002292 -obo:OBI_0002292 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM1 (colon)" ; +### http://purl.obolibrary.org/obo/OBI_0000836 +obo:OBI_0000836 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000522 ; + obo:IAO_0000111 "test tube" ; obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is clinical evidence of distant metastases by history, physical examination, imaging studies, or invasive procedures, but without microscopic evidence of the presumed distant metastases." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging#Pathological_M_Categorization_.28cM_and_pM.29" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (colon)" . + obo:IAO_0000115 "A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material"@en ; + obo:IAO_0000117 "Bjoern Peters" ; + obo:IAO_0000118 "collection tube" , + "sample tube" ; + obo:IAO_0000119 "http://en.wikipedia.org/wiki/Test_tube" ; + rdfs:label "test tube" . -### http://purl.obolibrary.org/obo/OBI_0002293 -obo:OBI_0002293 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM1a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1a (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000967 +obo:OBI_0000967 rdf:type owl:Class ; + owl:equivalentClass [ owl:intersectionOf ( obo:OBI_0000968 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000370 + ] + ) ; + rdf:type owl:Class + ] ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000370 + ] ; + obo:IAO_0000111 "container" ; + obo:IAO_0000114 obo:IAO_0000123 ; + obo:IAO_0000115 "A device that can be used to restrict the location of material entities over time"@en ; + obo:IAO_0000116 "03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?)" ; + obo:IAO_0000117 "PERSON: Bjoern Peters" ; + rdfs:label "container" . -### http://purl.obolibrary.org/obo/OBI_0002294 -obo:OBI_0002294 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "cM1b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1b (colon)" . +### http://purl.obolibrary.org/obo/OBI_0000968 +obo:OBI_0000968 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000047 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:BFO_0000034 + ] ; + obo:IAO_0000111 "device" ; + obo:IAO_0000112 "A voltmeter is a measurement device which is intended to perform some measure function." , + "An autoclave is a device that sterlizes instruments or contaminated waste by applying high temperature and pressure." ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A material entity that is designed to perform a function in a scientific investigation, but is not a reagent."@en ; + obo:IAO_0000116 """2012-12-17 JAO: In common lab usage, there is a distinction made between devices and reagents that is difficult to model. Therefore we have chosen to specifically exclude reagents from the definition of \"device\", and are enumerating the types of roles that a reagent can perform. +2013-6-5 MHB: The following clarifications are outcomes of the May 2013 Philly Workshop. Reagents are distinguished from devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in some chemical interaction or reaction during the realization of their experimental role. By contrast, devices do not participate in such chemical reactions/interactions. Note that there are cases where devices use reagent components during their operation, where the reagent-device distinction is less clear. For example: -### http://purl.obolibrary.org/obo/OBI_0002295 -obo:OBI_0002295 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "pM1 (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that there is microscopic evidence confirming distant metastatic disease." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (colon)" . +(1) An HPLC machine is considered a device, but has a column that holds a stationary phase resin as an operational component. This resin qualifies as a device if it participates purely in size exclusion, but bears a reagent role that is realized in the running of a column if it interacts electrostatically or chemically with the evaluant. The container the resin is in (“the column”) considered alone is a device. So the entire column as well as the entire HPLC machine are devices that have a reagent as an operating part. +(2) A pH meter is a device, but its electrode component bears a reagent role in virtue of its interacting directly with the evaluant in execution of an assay. -### http://purl.obolibrary.org/obo/OBI_0002296 -obo:OBI_0002296 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "pM1a (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is confined to one organ and histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1a (colon)" . +(3) A gel running box is a device that has a metallic lead as a component that participates in a chemical reaction with the running buffer when a charge is passed through it. This metallic lead is considered to have a reagent role as a component of this device realized in the running of a gel. +In the examples above, a reagent is an operational component of a device, but the device itself does not realize a reagent role (as bearing a reagent role is not transitive across the part_of relation). In this way, the asserted disjointness between a reagent and device holds, as both roles are never realized in the same bearer during execution of an assay.""" ; + obo:IAO_0000117 "PERSON: Helen Parkinson" ; + obo:IAO_0000118 "instrument" ; + obo:IAO_0000119 "OBI development call 2012-12-17." ; + rdfs:label "device" . -### http://purl.obolibrary.org/obo/OBI_0002297 -obo:OBI_0002297 rdf:type owl:NamedIndividual , - obo:OBI_0002290 ; - obo:IAO_0000111 "pM1b (colon)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for colon according to AJCC 7th edition indicating that metastasis is in more than one organ or the peritoneum and histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/colon/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1b (colon)" . +### http://purl.obolibrary.org/obo/OBI_0100026 +obo:OBI_0100026 rdf:type owl:Class ; + rdfs:subClassOf obo:BFO_0000040 ; + obo:IAO_0000111 "organism"@en ; + obo:IAO_0000112 "animal"@en , + "fungus"@en , + "plant"@en , + "virus"@en ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A material entity that is an individual living system, such as animal, plant, bacteria or virus, that is capable of replicating or reproducing, growth and maintenance in the right environment. An organism may be unicellular or made up, like humans, of many billions of cells divided into specialized tissues and organs."@en ; + obo:IAO_0000116 "10/21/09: This is a placeholder term, that should ideally be imported from the NCBI taxonomy, but the high level hierarchy there does not suit our needs (includes plasmids and 'other organisms')" , + """13-02-2009: +OBI doesn't take position as to when an organism starts or ends being an organism - e.g. sperm, foetus. +This issue is outside the scope of OBI.""" ; + obo:IAO_0000117 "GROUP: OBI Biomaterial Branch" ; + obo:IAO_0000119 "WEB: http://en.wikipedia.org/wiki/Organism"@en ; + rdfs:label "organism"@en . -### http://purl.obolibrary.org/obo/OBI_0002299 -obo:OBI_0002299 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM0 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is no distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (lung)" . +### http://purl.obolibrary.org/obo/OBI_0400107 +obo:OBI_0400107 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0000968 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000085 ; + owl:someValuesFrom obo:OBI_0000392 + ] ; + obo:IAO_0000111 "computer" ; + obo:IAO_0000112 "Apple PowerBook, Dell OptiPlex" ; + obo:IAO_0000114 obo:IAO_0000122 ; + obo:IAO_0000115 "A computer is an instrument which manipulates (stores, retrieves, and processes) data according to a list of instructions."@en ; + obo:IAO_0000117 "Melanie Courtot" , + "Trish Whetzel" ; + obo:IAO_0000119 "http://en.wikipedia.org/wiki/Computer" ; + rdfs:label "computer" . -### http://purl.obolibrary.org/obo/OBI_0002300 -obo:OBI_0002300 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (lung)" . +### http://purl.obolibrary.org/obo/UBERON_0000465 +obo:UBERON_0000465 rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002301 -obo:OBI_0002301 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM1a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is based on clinical assessment and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1a (lung)" . +### http://purl.obolibrary.org/obo/UBERON_0000477 +obo:UBERON_0000477 rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002302 -obo:OBI_0002302 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "cM1b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1b (lung)" . +### http://www.geneontology.org/formats/oboInOwl#ObsoleteClass +oboInOwl:ObsoleteClass rdf:type owl:Class . -### http://purl.obolibrary.org/obo/OBI_0002303 -obo:OBI_0002303 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "pM1 (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (lung)" . +################################################################# +# Individuals +################################################################# -### http://purl.obolibrary.org/obo/OBI_0002304 -obo:OBI_0002304 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "pM1a (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that metastasis is histologically confirmed and a separate tumor nodule(s) in a contralateral lobe; tumor with pleural nodules OR malignant pleural or pericardial effusion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1a (lung)" . +### http://nmrML.org/nmrCV#NMR:0003000 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T13:28:30Z"^^xsd:dateTime ; + dcterms:source "https://en.wikipedia.org/wiki/Thermo_Fisher_Scientific" ; + rdfs:label "Thermo Fischer" ; + skos:altLabel "Thermo FIsher Scientific" , + "Thermo Fisher Scientific Inc." , + "Thermo Scientific™" ; + foaf:homepage "https://thermofisher.com" . + + +### http://nmrML.org/nmrCV#NMR:0003001 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:26:12Z"^^xsd:dateTime ; + rdfs:label "Magritek" ; + foaf:homepage "https://magritek.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003002 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:30:14Z"^^xsd:dateTime ; + rdfs:label "Nanalysis" ; + foaf:homepage "https://www.nanalysis.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003003 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:32:08Z"^^xsd:dateTime ; + rdfs:label "NMR Service" ; + skos:altLabel "NMR Service GmbH" ; + foaf:homepage "https://nmr-service.de/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003004 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:33:47Z"^^xsd:dateTime ; + rdfs:label "Deutero" ; + foaf:homepage "https://www.deutero.de/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003005 + rdf:type owl:NamedIndividual ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:36:15Z"^^xsd:dateTime ; + rdfs:label "Norell®" ; + foaf:homepage "https://secure.nmrtubes.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:0003006 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:40:56Z"^^xsd:dateTime ; + rdfs:label "Chemagnetics" . + + +### http://nmrML.org/nmrCV#NMR:0003007 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:contributor ; + dcterms:date "2024-08-26T14:42:26Z"^^xsd:dateTime ; + rdfs:label "Nalorac" . + + +### http://nmrML.org/nmrCV#NMR:1000388 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:identifier "GB0006650450" ; + dcterms:source "https://en.wikipedia.org/wiki/Oxford_Instruments"^^xsd:anyURI ; + rdfs:label "Oxford Instruments"@en ; + foaf:homepage "https://www.oxinst.com"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1000389 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Spinlock SRL"@en ; + skos:altLabel "Spinlock" ; + foaf:homepage "https://spinlock.com.ar"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1000390 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "General Electric"@en . + + +### http://nmrML.org/nmrCV#NMR:1000391 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Kimble Chase"@en ; + skos:altLabel "Kimble Chase Life Science and Research Products LLC" ; + foaf:homepage "https://www.dwk.com/about-us"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1000392 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Phillips"@en . + + +### http://nmrML.org/nmrCV#NMR:1000393 + rdf:type owl:NamedIndividual ; + rdfs:label "Siemens AG"@en . + + +### http://nmrML.org/nmrCV#NMR:1400256 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/Bruker"^^xsd:anyURI ; + rdfs:label "Bruker" ; + skos:altLabel "Bruker Corporation" ; + foaf:homepage "https://www.bruker.com"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400257 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/Varian,_Inc."^^xsd:anyURI ; + rdfs:label "Varian" ; + skos:altLabel "Varian, Inc." . + + +### http://nmrML.org/nmrCV#NMR:1400258 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/JEOL"^^xsd:anyURI ; + rdfs:label "JEOL" ; + skos:altLabel "Nihon Denshi Kabushiki-kaisha"@ja , + "日本電子"@ja ; + foaf:homepage "https://www.jeol.co.jp" . + + +### http://nmrML.org/nmrCV#NMR:1400259 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "MR Resources" ; + foaf:homepage "https://www.mrr.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400260 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "tecmag" ; + skos:altLabel "Tecmag" ; + foaf:homepage "https://tecmag.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400264 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Doty Scientific" ; + skos:altLabel "Doty Scientific, Inc." ; + foaf:homepage "https://dotynmr.com"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400265 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "Wilmad" ; + foaf:homepage "https://sp-wilmadlabglass.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400266 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + rdfs:label "JS Research" ; + skos:altLabel "J S RESEARCH INC." , + "JSR" ; + foaf:homepage "https://www.jsresearch.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400270 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Acorn NMR Inc" . + + +### http://nmrML.org/nmrCV#NMR:1400306 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "ThermoMattson" . + + +### http://nmrML.org/nmrCV#NMR:1400307 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "FOSS" . + + +### http://nmrML.org/nmrCV#NMR:1400308 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Jasco" . + + +### http://nmrML.org/nmrCV#NMR:1400309 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 , + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000571 + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:someValuesFrom [ owl:intersectionOf ( obo:OBI_0000457 + [ rdf:type owl:Restriction ; + owl:onProperty obo:OBI_0000299 ; + owl:someValuesFrom [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000050 ; + owl:someValuesFrom + ] + ] + ) ; + rdf:type owl:Class + ] + ] + ) ; + rdf:type owl:Class + ] + ] ; + obo:IAO_0000233 ; + dcterms:source "https://en.wikipedia.org/wiki/Agilent_Technologies"^^xsd:anyURI ; + rdfs:label "Agilent Technologies" ; + foaf:homepage "https://www.agilent.com/"^^xsd:anyURI . + + +### http://nmrML.org/nmrCV#NMR:1400310 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "micromass" . + + +### http://nmrML.org/nmrCV#NMR:1400311 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Waters" . + + +### http://nmrML.org/nmrCV#NMR:1400312 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "ThermoNicolet" . + + +### http://nmrML.org/nmrCV#NMR:1400313 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Perkin Elmer" . + + +### http://nmrML.org/nmrCV#NMR:1400314 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "OceanOptics" . + + +### http://nmrML.org/nmrCV#NMR:1400315 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "ThermoFinnigan" . -### http://purl.obolibrary.org/obo/OBI_0002305 -obo:OBI_0002305 rdf:type owl:NamedIndividual , - obo:OBI_0002298 ; - obo:IAO_0000111 "pM1b (lung)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for lung according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed and associated with distant lymph nodes or carcinomatosis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/lung/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1b (lung)" . +### http://nmrML.org/nmrCV#NMR:1400316 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "Applied Biosystems" . -### http://purl.obolibrary.org/obo/OBI_0002307 -obo:OBI_0002307 rdf:type owl:NamedIndividual , - obo:OBI_0002306 ; - obo:IAO_0000111 "cM0 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is no distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1400317 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "TX" . -### http://purl.obolibrary.org/obo/OBI_0002308 -obo:OBI_0002308 rdf:type owl:NamedIndividual , - obo:OBI_0002306 ; - obo:IAO_0000111 "cM1 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there are distant metastases based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (kidney)" . +### http://nmrML.org/nmrCV#NMR:1400322 + rdf:type owl:NamedIndividual , + obo:OBI_0000245 ; + rdfs:label "acdlabs" . -### http://purl.obolibrary.org/obo/OBI_0002309 -obo:OBI_0002309 rdf:type owl:NamedIndividual , - obo:OBI_0002306 ; - obo:IAO_0000111 "pM1 (kidney)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for kidney according to AJCC 7th edition indicating that there is a distant metastases that is histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/kidney_parenchyma/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (kidney)" . +### http://purl.obolibrary.org/obo/IAO_0000002 +obo:IAO_0000002 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "example to be eventually removed"@en ; + rdfs:label "example to be eventually removed"@en . -### http://purl.obolibrary.org/obo/OBI_0002311 -obo:OBI_0002311 rdf:type owl:NamedIndividual , - obo:OBI_0002310 ; - obo:IAO_0000111 "cM0 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is no distant metastasis." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM0 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000103 +obo:IAO_0000103 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "failed exploratory term"@en ; + obo:IAO_0000115 "The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job"@en ; + obo:IAO_0000117 "Person:Alan Ruttenberg"@en ; + rdfs:label "failed exploratory term"@en . -### http://purl.obolibrary.org/obo/OBI_0002312 -obo:OBI_0002312 rdf:type owl:NamedIndividual , - obo:OBI_0002310 ; - obo:IAO_0000111 "cM1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis based on clinical assessment." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "cM1 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000120 +obo:IAO_0000120 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "metadata complete"@en ; + obo:IAO_0000115 "Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete."@en ; + rdfs:label "metadata complete"@en . -### http://purl.obolibrary.org/obo/OBI_0002313 -obo:OBI_0002313 rdf:type owl:NamedIndividual , - obo:OBI_0002310 ; - obo:IAO_0000111 "pM1 (ovary)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A pathologic distant metastases stage for ovary according to AJCC 7th edition indicating that there is distant metastasis except peritoneal metastasis that is histologically confirmed." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_m/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "pM1 (ovary)" . +### http://purl.obolibrary.org/obo/IAO_0000121 +obo:IAO_0000121 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "organizational term"@en ; + obo:IAO_0000115 "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en ; + rdfs:label "organizational term"@en . -### http://purl.obolibrary.org/obo/OBI_0002315 -obo:OBI_0002315 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Occult Carcinoma (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating a small carcinoma, either asymptomatic or giving rise to metastases without symptoms due to the primary carcinoma." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Occult Carcinoma" ; - obo:IAO_0000119 "http://www.medilexicon.com/dictionary/14371" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Occult Carcinoma (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002316 -obo:OBI_0002316 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage 0 (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating a carcinoma in situ (or melanoma in situ for melanoma of the skin or germ cell neoplasia in situ for testicular germ cell tumors) and generally is considered to have no metastatic potential." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 0" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 0 (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002317 -obo:OBI_0002317 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage I (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers that are smaller or less deeply invasive without regional disease or nodes." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage I" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage I (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002318 -obo:OBI_0002318 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIA (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIB and IIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002319 -obo:OBI_0002319 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIB (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIB (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002320 -obo:OBI_0002320 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIC (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent but less than in Stage III and with differing characteristics from IIA and IIB." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIC" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIC (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002321 -obo:OBI_0002321 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIIA (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIB and IIIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIA (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002322 -obo:OBI_0002322 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIIB (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIC." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIB (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002323 -obo:OBI_0002323 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IIIC (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers with increasing tumor or nodal extent greater than in Stage II and with differing characteristics from IIIA and IIIB." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIC" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIC (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002324 -obo:OBI_0002324 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IVA (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVB." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVA (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002325 -obo:OBI_0002325 rdf:type owl:NamedIndividual , - obo:OBI_0002314 ; - obo:IAO_0000111 "Stage IVB (AJCC 7th)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A clinical tumor stage group according to AJCC 7th edition indicating cancers in patients who present with distant metastases at diagnosis and with differing characteristics from IVA." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVB (AJCC 7th)" . - - -### http://purl.obolibrary.org/obo/OBI_0002327 -obo:OBI_0002327 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating invasive carcinoma which can be diagnosed only by microscopy, with deepest invasion <5 mm and the largest extension <7 mm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002328 -obo:OBI_0002328 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IA1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of <3.0 mm in depth and extension of <7.0 mm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IA1" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IA1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002329 -obo:OBI_0002329 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IA2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating measured stromal invasion of >3.0 mm and not >5.0 mm with an extension of not >7.0 mm." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IA2" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IA2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002330 -obo:OBI_0002330 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesions limited to the cervix uteri or pre-clinical cancers greater than stage IA" ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002331 -obo:OBI_0002331 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IB1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA <4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IB1" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IB1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002332 -obo:OBI_0002332 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IB2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating clinically visible lesion limited to the cervix uteri or pre-clinical cancers greater than stage IA >4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IB2" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IB2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002333 -obo:OBI_0002333 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002334 -obo:OBI_0002334 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIA1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion <4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA1" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002335 -obo:OBI_0002335 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIA2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina without parametrial invasion and clinically visible lesion >4.0 cm in greatest dimension." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIA2" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIA2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002336 -obo:OBI_0002336 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating cervical carcinoma invades beyond the uterus, but not to the pelvic wall or to the lower third of the vagina with obvious parametrial invasion." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002337 -obo:OBI_0002337 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIIA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating tumour involves lower third of the vagina, with no extension to the pelvic wall." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002338 -obo:OBI_0002338 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IIIB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating extension to the pelvic wall and/or hydronephrosis or non-functioning kidney." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IIIB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IIIB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002339 -obo:OBI_0002339 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IVA (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread of the growth to adjacent organs." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVA" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVA (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002340 -obo:OBI_0002340 rdf:type owl:NamedIndividual , - obo:OBI_0002326 ; - obo:IAO_0000111 "Stage IVB (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An International Federation of Gynecology and Obstetrics cervical cancer stage value specification indicating spread to distant organs." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage IVB" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Cervical_cancer_staging" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage IVB (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002342 -obo:OBI_0002342 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002343 -obo:OBI_0002343 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1A (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1a, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1A" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1A (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002344 -obo:OBI_0002344 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1B (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1b, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1B" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1B (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002345 -obo:OBI_0002345 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 1C (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T1c, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 1C" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 1C (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002346 -obo:OBI_0002346 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002347 -obo:OBI_0002347 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2A (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2a, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2A" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2A (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002348 -obo:OBI_0002348 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2B (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2b, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2B" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2B (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002349 -obo:OBI_0002349 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 2C (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T2c, N0, and M0." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 2C" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 2C (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002350 -obo:OBI_0002350 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3, N0, and M0) or (T3,3a,3b, NX, and M0)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002351 -obo:OBI_0002351 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3A (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3a, N0, and M0 ." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3A" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3A (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002352 -obo:OBI_0002352 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3B (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of T3b, N0, and M0 ." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3B" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3B (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002353 -obo:OBI_0002353 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 3C (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T3c, N0,X and M0) or (any T, N1 and M0)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 3C" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 3C (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002354 -obo:OBI_0002354 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage 4 (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of any T, any N, and M1." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage 4" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage 4 (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002355 -obo:OBI_0002355 rdf:type owl:NamedIndividual , - obo:OBI_0002341 ; - obo:IAO_0000111 "Stage Unknown (FIGO)" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A International Federation of Gynecology and Obstetrics ovarian cancer stage value specification associated with TNM stage values of (T0, N0, and M0) or (T1,1a-1c,2,2a-2c, NX, and M0) or (TX, N0,X, M0)." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000118 "Stage Unknown" ; - obo:IAO_0000119 "https://staging.seer.cancer.gov/tnm/input/1.0/ovary/path_stage_group_direct/" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "Stage Unknown (FIGO)" . - - -### http://purl.obolibrary.org/obo/OBI_0002358 -obo:OBI_0002358 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "3: symptomatic in bed more than 50% of the day but not bed ridden" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and in bed for more than 50% of the day but is not bed ridden." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "3: symptomatic in bed more than 50% of the day but not bed ridden" . +### http://purl.obolibrary.org/obo/IAO_0000122 +obo:IAO_0000122 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "ready for release"@en ; + obo:IAO_0000115 "Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking \"ready_for_release\" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed \"ready_for_release\" will also derived from a chain of ancestor classes that are also \"ready_for_release.\""@en ; + rdfs:label "ready for release"@en . -### http://purl.obolibrary.org/obo/OBI_0002359 -obo:OBI_0002359 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "2: symptomatic but in bed less than 50% of the day" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is in bed for less than 50% of the day." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "2: symptomatic but in bed less than 50% of the day" . +### http://purl.obolibrary.org/obo/IAO_0000123 +obo:IAO_0000123 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "metadata incomplete"@en ; + obo:IAO_0000115 "Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors."@en ; + rdfs:label "metadata incomplete"@en . -### http://purl.obolibrary.org/obo/OBI_0002360 -obo:OBI_0002360 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "4: bed ridden" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic and is bed ridden." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "4: bed ridden" . +### http://purl.obolibrary.org/obo/IAO_0000124 +obo:IAO_0000124 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "uncurated"@en ; + obo:IAO_0000115 "Nothing done yet beyond assigning a unique class ID and proposing a preferred term."@en ; + rdfs:label "uncurated"@en . -### http://purl.obolibrary.org/obo/OBI_0002361 -obo:OBI_0002361 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "0: asymptomatic" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is asymptomatic." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "0: asymptomatic" . +### http://purl.obolibrary.org/obo/IAO_0000125 +obo:IAO_0000125 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "pending final vetting"@en ; + obo:IAO_0000115 "All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor."@en ; + rdfs:label "pending final vetting"@en . -### http://purl.obolibrary.org/obo/OBI_0002362 -obo:OBI_0002362 rdf:type owl:NamedIndividual , - obo:OBI_0002357 ; - obo:IAO_0000111 "1: symptomatic but fully ambulatory" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An Eastern Cooperative Oncology Group score value specification indicating a patient is symptomatic but is fully ambulatory." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "1: symptomatic but fully ambulatory" . +### http://purl.obolibrary.org/obo/IAO_0000224 +obo:IAO_0000224 rdf:type owl:NamedIndividual ; + obo:IAO_0000115 "Core is an instance of a grouping of terms from an ontology or ontologies. It is used by the ontology to identify main classes."@en ; + obo:IAO_0000117 "PERSON: Alan Ruttenberg"@en , + "PERSON: Melanie Courtot"@en ; + obo:IAO_0000231 obo:IAO_0000226 ; + rdfs:label "obsolete_core"@en ; + owl:deprecated "true"^^xsd:boolean . -### http://purl.obolibrary.org/obo/OBI_0002364 -obo:OBI_0002364 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "100: asymptomatic" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is asymptomatic." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "100: asymptomatic" . +### http://purl.obolibrary.org/obo/IAO_0000226 +obo:IAO_0000226 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "placeholder removed"@en ; + rdfs:label "placeholder removed"@en . -### http://purl.obolibrary.org/obo/OBI_0002365 -obo:OBI_0002365 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "80-90: symptomatic but fully ambulatory" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is symptomatic but fully ambulatory." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "80-90: symptomatic but fully ambulatory" . +### http://purl.obolibrary.org/obo/IAO_0000227 +obo:IAO_0000227 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "terms merged"@en ; + obo:IAO_0000116 "An editor note should explain what were the merged terms and the reason for the merge."@en ; + rdfs:label "terms merged"@en . -### http://purl.obolibrary.org/obo/OBI_0002366 -obo:OBI_0002366 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "60-70: symptomatic but in bed less than 50% of the day" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is symptomatic but in bed less than 50% of the day." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "60-70: symptomatic but in bed less than 50% of the day" . +### http://purl.obolibrary.org/obo/IAO_0000228 +obo:IAO_0000228 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "term imported"@en ; + obo:IAO_0000116 "This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use."@en ; + rdfs:label "term imported"@en . -### http://purl.obolibrary.org/obo/OBI_0002367 -obo:OBI_0002367 rdf:type owl:NamedIndividual , - obo:OBI_0002363 ; - obo:IAO_0000111 "40-50: symptomatic, in bed more than 50% of the day, but not bed ridden" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A Karnofsky score vaue specification indicating that a patient is symptomatic, in bed more than 50% of the day, but not bed ridden." ; - obo:IAO_0000117 "Chris Stoeckert, Helena Ellis" ; - obo:IAO_0000119 "NCI BBRB, OBI" ; - obo:IAO_0000234 "NCI BBRB" ; - rdfs:label "40-50: symptomatic, in bed more than 50% of the day, but not bed ridden" . +### http://purl.obolibrary.org/obo/IAO_0000229 +obo:IAO_0000229 rdf:type owl:NamedIndividual , + obo:IAO_0000225 ; + obo:IAO_0000111 "term split"@en ; + obo:IAO_0000116 "This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created."@en ; + rdfs:label "term split"@en . -### http://purl.obolibrary.org/obo/OBI_0002755 -obo:OBI_0002755 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Oxford Nanopore Technologies" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An organization that is developing and selling nanopore sequencing products and is based in the UK." ; - obo:IAO_0000117 "James A. Overton" ; - obo:IAO_0000119 "https://en.wikipedia.org/wiki/Oxford_Nanopore_Technologies" ; - rdfs:label "Oxford Nanopore Technologies" . +### http://purl.obolibrary.org/obo/IAO_0000410 +obo:IAO_0000410 rdf:type owl:NamedIndividual , + obo:IAO_0000409 ; + obo:IAO_0000111 "universal"@en ; + obo:IAO_0000116 "Hard to give a definition for. Intuitively a \"natural kind\" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf"@en ; + rdfs:label "universal"@en . -### http://purl.obolibrary.org/obo/OBI_0002903 -obo:OBI_0002903 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "BioGents" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "An organization that manufactures mosquito traps and other mosquito control products." ; - obo:IAO_0000117 "John Judkins" ; - obo:IAO_0000119 "WEB:https://eu.biogents.com/about-biogents/" ; - rdfs:label "BioGents" . +### http://purl.obolibrary.org/obo/IAO_0000420 +obo:IAO_0000420 rdf:type owl:NamedIndividual , + obo:IAO_0000409 ; + obo:IAO_0000111 "defined class"@en ; + obo:IAO_0000115 "A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal"@en ; + obo:IAO_0000116 "\"definitions\", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + rdfs:label "defined class"@en . -### http://purl.obolibrary.org/obo/OBI_0003495 -obo:OBI_0003495 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "Abbott" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A manufacturer of rapid point-of-care assay devices." ; - obo:IAO_0000117 "John Judkins ORCID:0000-0001-6595-0902" ; - obo:IAO_0000119 "WEB:https://www.globalpointofcare.abbott/en/about.html" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1456" ; - rdfs:label "Abbott" . +### http://purl.obolibrary.org/obo/IAO_0000421 +obo:IAO_0000421 rdf:type owl:NamedIndividual , + obo:IAO_0000409 ; + obo:IAO_0000111 "named class expression"@en ; + obo:IAO_0000115 "A named class expression is a logical expression that is given a name. The name can be used in place of the expression."@en ; + obo:IAO_0000116 "named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions"@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + rdfs:label "named class expression"@en . -### http://purl.obolibrary.org/obo/OBI_0003496 -obo:OBI_0003496 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "J. Mitra" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A manufacturer of in vitro diagnostic assay kits in India." ; - obo:IAO_0000117 "John Judkins ORCID:0000-0001-6595-0902" ; - obo:IAO_0000119 "WEB:https://jmitra.co.in/about-us/" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1456" ; - rdfs:label "J. Mitra" . +### http://purl.obolibrary.org/obo/IAO_0000423 +obo:IAO_0000423 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "to be replaced with external ontology term"@en ; + obo:IAO_0000115 "Terms with this status should eventually replaced with a term from another ontology."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "group:OBI"@en ; + rdfs:label "to be replaced with external ontology term"@en . -### http://purl.obolibrary.org/obo/OBI_0003497 -obo:OBI_0003497 rdf:type owl:NamedIndividual , - obo:OBI_0000835 ; - obo:IAO_0000111 "InBios" ; - obo:IAO_0000114 obo:IAO_0000120 ; - obo:IAO_0000115 "A manufacturer that specializes in in vitro diagnostic devices designed to test for infectious diseases." ; - obo:IAO_0000117 "John Judkins ORCID:0000-0001-6595-0902" ; - obo:IAO_0000119 "WEB:https://inbios.com/about/" ; - obo:IAO_0000233 "https://github.com/obi-ontology/obi/issues/1456" ; - rdfs:label "InBios" . +### http://purl.obolibrary.org/obo/IAO_0000428 +obo:IAO_0000428 rdf:type owl:NamedIndividual , + obo:IAO_0000078 ; + obo:IAO_0000111 "requires discussion"@en ; + obo:IAO_0000115 "A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues."@en ; + obo:IAO_0000117 "Alan Ruttenberg"@en ; + obo:IAO_0000119 "group:OBI"@en ; + rdfs:label "requires discussion"@en . ### http://purl.obolibrary.org/obo/OMO_0001000 @@ -8323,29 +29119,14 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , # General axioms ################################################################# -[ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002566 ; - owl:someValuesFrom obo:BFO_0000040 ; - rdfs:subClassOf [ rdf:type owl:Class ; - owl:unionOf ( [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000056 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002418 ; - owl:someValuesFrom obo:BFO_0000015 - ] - ] - [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002215 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000056 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0002418 ; - owl:someValuesFrom obo:BFO_0000015 - ] - ] - ] - ) - ] +[ owl:intersectionOf ( obo:CHEBI_23367 + [ rdf:type owl:Restriction ; + owl:onProperty obo:RO_0000087 ; + owl:someValuesFrom obo:CHEBI_228364 + ] + ) ; + rdf:type owl:Class ; + rdfs:subClassOf ] . @@ -8371,803 +29152,4 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , ] . -################################################################# -# Rules -################################################################# - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - - rdf:type swrl:Variable . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002180 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000015 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000015 ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002018 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000016 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000091 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000019 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000086 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000023 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000087 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:BFO_0000034 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000053 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0000085 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ swrla:isRuleEnabled "true"^^xsd:boolean ; - rdfs:comment "MF(X)-directly_regulates->MF(Y)-enabled_by->GP(Z) => MF(Y)-has_input->GP(Y) e.g. if 'protein kinase activity'(X) directly_regulates 'protein binding activity (Y)and this is enabled by GP(Z) then X has_input Z" ; - rdfs:label "infer input from direct reg" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0003674 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0003674 ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment """GP(X)-enables->MF(Y)-has_part->MF(Z) => GP(X) enables MF(Z), -e.g. if GP X enables ATPase coupled transporter activity' and 'ATPase coupled transporter activity' has_part 'ATPase activity' then GP(X) enables 'ATPase activity'""" ; - rdfs:label "enabling an MF enables its parts" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0003674 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:BFO_0000051 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ swrla:isRuleEnabled "true"^^xsd:boolean ; - rdfs:comment "GP(X)-enables->MF(Y)-part_of->BP(Z) => GP(X) involved_in BP(Z) e.g. if X enables 'protein kinase activity' and Y 'part of' 'signal tranduction' then X involved in 'signal transduction'" ; - rdfs:label "involved in BP" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0008150 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:BFO_0000050 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002327 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002331 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate obo:GO_0016301 ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002447 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment "If a molecular function (X) has a regulatory subfunction, then any gene product which is an input to that subfunction has an activity that directly_regulates X. Note: this is intended for cases where the regaultory subfunction is protein binding, so it could be tightened with an additional clause to specify this." ; - rdfs:label "inferring direct reg edge from input to regulatory subfunction" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002352 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002013 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "inferring direct neg reg edge from input to regulatory subfunction" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002352 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002014 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002630 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "inferring direct positive reg edge from input to regulatory subfunction" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002352 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002333 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002015 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002629 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "effector input is compound function input" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "Input of effector is input of its parent MF" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002233 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment "if effector directly regulates X, its parent MF directly regulates X" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002578 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:comment "if effector directly positively regulates X, its parent MF directly positively regulates X" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002629 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002629 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "if effector directly negatively regulates X, its parent MF directly negatively regulates X" ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002025 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002630 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002630 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdfs:label "'causally downstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties)." ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002404 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002131 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] . - -[ rdfs:label "'causally upstream of' and 'overlaps' should be disjoint properties (a SWRL rule is required because these are non-simple properties)." ; - rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002131 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:ClassAtom ; - swrl:classPredicate owl:Nothing ; - swrl:argument1 - ] ; - rdf:rest rdf:nil - ] - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0012011 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002211 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0012012 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002213 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002213 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0019002 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002212 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0019001 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002264 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002263 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -[ rdf:type swrl:Imp ; - swrl:body [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0002411 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] ; - swrl:head [ rdf:type swrl:AtomList ; - rdf:first [ rdf:type swrl:IndividualPropertyAtom ; - swrl:propertyPredicate obo:RO_0012011 ; - swrl:argument1 ; - swrl:argument2 - ] ; - rdf:rest rdf:nil - ] - ] . - -### Generated by the OWL API (version 4.5.26) https://github.com/owlcs/owlapi +### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/src/ontology/imports/bfo_import.owl b/src/ontology/imports/bfo_import.owl index e562fce..4e8ec07 100644 --- a/src/ontology/imports/bfo_import.owl +++ b/src/ontology/imports/bfo_import.owl @@ -7,9 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2024-02-20") +Annotation(owl:versionInfo "2025-02-18") Declaration(Class()) Declaration(Class()) diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index 5c7ecc3..cc87ca6 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,8 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2025-02-17") + +Annotation(owl:versionInfo "2025-02-18") Declaration(Class()) Declaration(Class()) @@ -93,7 +93,6 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -164,10 +163,12 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -2502,32 +2503,6 @@ AnnotationAssertion(rdfs:label "sod SubClassOf( ) SubClassOf( ) -# Class: (boron trifluoride) - -AnnotationAssertion( "0") -AnnotationAssertion( "BF3") -AnnotationAssertion( "InChI=1S/BF3/c2-1(3)4") -AnnotationAssertion( "WTEOIRVLGSZEPR-UHFFFAOYSA-N") -AnnotationAssertion( "67.80621") -AnnotationAssertion( "68.00451") -AnnotationAssertion( "FB(F)F") -AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7637-07-2") -AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7637-07-2") -AnnotationAssertion(Annotation( "Gmelin") "Gmelin:1519") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "boron trifluoride") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trifluoridoboron") -AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "trifluoroborane") -AnnotationAssertion( "chebi_ontology") -AnnotationAssertion(Annotation( "IUPAC") "BF3") -AnnotationAssertion(Annotation( "ChEBI") "Bortrifluorid") -AnnotationAssertion(Annotation( "IUPAC") "[BF3]") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "boron fluoride") -AnnotationAssertion(Annotation( "NIST_Chemistry_WebBook") "trifluoroboron") -AnnotationAssertion( "CHEBI:33093") -AnnotationAssertion( ) -AnnotationAssertion(rdfs:label "boron trifluoride") -SubClassOf( ) - # Class: (calcium dichloride) AnnotationAssertion( "0") @@ -4209,6 +4184,42 @@ AnnotationAssertion( ) AnnotationAssertion(rdfs:label "chemical substance") +# Class: (ammonium sulfate) + +AnnotationAssertion( "An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.") +AnnotationAssertion( "0") +AnnotationAssertion( "H8N2O4S") +AnnotationAssertion( "InChI=1S/2H3N.H2O4S/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)") +AnnotationAssertion( "BFNBIHQBYMNNAN-UHFFFAOYSA-N") +AnnotationAssertion( "132.14000") +AnnotationAssertion( "132.02048") +AnnotationAssertion( "[NH4+].[NH4+].[O-]S([O-])(=O)=O") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7783-20-2") +AnnotationAssertion(Annotation( "KEGG DRUG") "CAS:7783-20-2") +AnnotationAssertion( "KEGG:D08853") +AnnotationAssertion( "MetaCyc:NH42SO4") +AnnotationAssertion(Annotation( "Europe PMC") "PMID:20556652") +AnnotationAssertion( "PPDB:36") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:11343144") +AnnotationAssertion( "Wikipedia:Ammonium_sulfate") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "diazanium sulfate") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "ChEBI") "(NH4)2SO4") +AnnotationAssertion(Annotation( "ChemIDplus") "ammonium sulfate (2:1)") +AnnotationAssertion(Annotation( "SUBMITTER") "ammonium sulphate") +AnnotationAssertion(Annotation( "IUPAC") "diammonium sulfate") +AnnotationAssertion(Annotation( "ChemIDplus") "mascagnite") +AnnotationAssertion(Annotation( "ChemIDplus") "sulfuric acid ammonium salt (1:2)") +AnnotationAssertion(Annotation( "ChemIDplus") "sulfuric acid, diammonium salt") +AnnotationAssertion(Annotation( "ChEBI") "sulphate of ammonia") +AnnotationAssertion( "CHEBI:62946") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "ammonium sulfate") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (sodium bromide) AnnotationAssertion( "An inorganic sodium salt having bromide as the counterion.") @@ -4327,6 +4338,39 @@ SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) +# Class: (magnesium dichloride) + +AnnotationAssertion( "A magnesium salt comprising of two chlorine atoms bound to a magnesium atom.") +AnnotationAssertion( "0") +AnnotationAssertion( "Cl2Mg") +AnnotationAssertion( "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2") +AnnotationAssertion( "TWRXJAOTZQYOKJ-UHFFFAOYSA-L") +AnnotationAssertion( "95.21040") +AnnotationAssertion( "93.92275") +AnnotationAssertion( "[Mg++].[Cl-].[Cl-]") +AnnotationAssertion(Annotation( "ChemIDplus") "CAS:7786-30-3") +AnnotationAssertion(Annotation( "KEGG COMPOUND") "CAS:7786-30-3") +AnnotationAssertion(Annotation( "NIST Chemistry WebBook") "CAS:7786-30-3") +AnnotationAssertion(Annotation( "Gmelin") "Gmelin:9305") +AnnotationAssertion( "KEGG:C07755") +AnnotationAssertion( "MolBase:1868") +AnnotationAssertion(Annotation( "Reaxys") "Reaxys:8128169") +AnnotationAssertion(Annotation( "IUPAC") Annotation( ) "magnesium dichloride") +AnnotationAssertion( "chebi_ontology") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Magnesium chloride") +AnnotationAssertion(Annotation( "KEGG_COMPOUND") "Magnesium chloride anhydrous") +AnnotationAssertion(Annotation( "ChEBI") "Magnesiumchlorid") +AnnotationAssertion(Annotation( "IUPAC") "MgCl2") +AnnotationAssertion(Annotation( "MolBase") "[MgCl2]") +AnnotationAssertion( "CHEBI:6636") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "magnesium dichloride") +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ) +SubClassOf( ObjectSomeValuesFrom( )) + # Class: (potassium fluoride) AnnotationAssertion( "A fluoride salt having K+ as the counterion.") diff --git a/src/ontology/imports/iao_import.owl b/src/ontology/imports/iao_import.owl index 74c0c41..dfe7f63 100644 --- a/src/ontology/imports/iao_import.owl +++ b/src/ontology/imports/iao_import.owl @@ -7,9 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2024-09-06") +Annotation(owl:versionInfo "2025-02-18") Declaration(Class()) Declaration(Class()) @@ -73,6 +73,16 @@ Declaration(AnnotationProperty()) # Annotation Properties ############################ +# Annotation Property: (editor preferred term) + +AnnotationAssertion( "editor preferred term"@en) +AnnotationAssertion( ) +AnnotationAssertion( "The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English)"@en) +AnnotationAssertion( "PERSON:Daniel Schober"@en) +AnnotationAssertion( "GROUP:OBI:"@en) +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "editor preferred term"@en) + # Annotation Property: (definition) AnnotationAssertion( "definition"@en) diff --git a/src/ontology/imports/obi_import.owl b/src/ontology/imports/obi_import.owl index 6afe9f9..d11589e 100644 --- a/src/ontology/imports/obi_import.owl +++ b/src/ontology/imports/obi_import.owl @@ -7,9 +7,9 @@ Prefix(rdfs:=) Ontology( - -Annotation( ) -Annotation(owl:versionInfo "2024-08-29") + +Annotation( ) +Annotation(owl:versionInfo "2025-02-18") Declaration(Class()) Declaration(Class()) @@ -38,6 +38,8 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) @@ -82,44 +84,44 @@ Declaration(Datatype(xsd:date)) # Object Properties ############################ -# Object Property: (has_specified_input) +# Object Property: (has specified input) -AnnotationAssertion( "has_specified_input") +AnnotationAssertion( "has specified input") AnnotationAssertion( "see is_input_of example_of_usage"@en) AnnotationAssertion( ) -AnnotationAssertion( "The inverse property of is_specified_input_of"@en) +AnnotationAssertion( "The inverse property of is specified input of"@en) AnnotationAssertion( "8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works.") AnnotationAssertion( "PERSON: Alan Ruttenberg"@en) AnnotationAssertion( "PERSON: Bjoern Peters") AnnotationAssertion( "PERSON: Larry Hunter") AnnotationAssertion( "PERSON: Melanie Coutot") -AnnotationAssertion(rdfs:label "has_specified_input"@en) +AnnotationAssertion(rdfs:label "has specified input"@en) SubObjectPropertyOf( ) InverseObjectProperties( ) ObjectPropertyDomain( ) -# Object Property: (is_specified_input_of) +# Object Property: (is specified input of) -AnnotationAssertion( "is_specified_input_of") +AnnotationAssertion( "is specified input of") AnnotationAssertion( "some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay"@en) AnnotationAssertion( ) AnnotationAssertion( "A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of."@en) AnnotationAssertion( "Alan Ruttenberg"@en) AnnotationAssertion( "PERSON:Bjoern Peters") -AnnotationAssertion(rdfs:label "is_specified_input_of"@en) +AnnotationAssertion(rdfs:label "is specified input of"@en) SubObjectPropertyOf( ) ObjectPropertyRange( ) -# Object Property: (has_specified_output) +# Object Property: (has specified output) -AnnotationAssertion( "has_specified_output") +AnnotationAssertion( "has specified output") AnnotationAssertion( ) -AnnotationAssertion( "The inverse property of is_specified_output_of"@en) +AnnotationAssertion( "The inverse property of is specified output of"@en) AnnotationAssertion( "PERSON: Alan Ruttenberg"@en) AnnotationAssertion( "PERSON: Bjoern Peters") AnnotationAssertion( "PERSON: Larry Hunter") AnnotationAssertion( "PERSON: Melanie Courtot") -AnnotationAssertion(rdfs:label "has_specified_output"@en) +AnnotationAssertion(rdfs:label "has specified output"@en) SubObjectPropertyOf( ) InverseObjectProperties( ) ObjectPropertyDomain( ) @@ -138,14 +140,14 @@ AnnotationAssertion(rdfs:label "is_ ObjectPropertyDomain( ) ObjectPropertyRange( ) -# Object Property: (is_specified_output_of) +# Object Property: (is specified output of) -AnnotationAssertion( "is_specified_output_of") +AnnotationAssertion( "is specified output of") AnnotationAssertion( ) AnnotationAssertion( "A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of."@en) AnnotationAssertion( "Alan Ruttenberg"@en) AnnotationAssertion( "PERSON:Bjoern Peters") -AnnotationAssertion(rdfs:label "is_specified_output_of"@en) +AnnotationAssertion(rdfs:label "is specified output of"@en) SubObjectPropertyOf( ) ObjectPropertyRange( ) @@ -154,7 +156,7 @@ ObjectPropertyRange( "achieves_planned_objective") AnnotationAssertion( "A cell sorting process achieves the objective specification 'material separation objective'") AnnotationAssertion( ) -AnnotationAssertion( "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process.") +AnnotationAssertion( "This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process."@en) AnnotationAssertion( "BP, AR, PPPB branch") AnnotationAssertion( "PPPB branch derived") AnnotationAssertion( "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch") @@ -167,7 +169,7 @@ ObjectPropertyRange( "objective_achieved_by") AnnotationAssertion( ) -AnnotationAssertion( "This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process.") +AnnotationAssertion( "This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process."@en) AnnotationAssertion( "OBI") AnnotationAssertion( "OBI") AnnotationAssertion(rdfs:label "objective_achieved_by") @@ -373,7 +375,7 @@ SubClassOf( "vial") AnnotationAssertion( ) -AnnotationAssertion( "A container made from solid material and primarily used for holding liquid.") +AnnotationAssertion( "A container made from solid material and primarily used for holding liquid."@en) AnnotationAssertion( "https://orcid.org/0000-0002-8844-9165") AnnotationAssertion( "https://en.wikipedia.org/wiki/Vial") AnnotationAssertion(rdfs:label "vial") @@ -384,7 +386,7 @@ SubClassOf( "manufacturer role") AnnotationAssertion( "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role.") AnnotationAssertion( ) -AnnotationAssertion( "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process.") +AnnotationAssertion( "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process."@en) AnnotationAssertion( "GROUP: Role Branch") AnnotationAssertion( "OBI") AnnotationAssertion(rdfs:label "manufacturer role") @@ -396,7 +398,7 @@ SubClassOf( ObjectSomeValuesFrom( "measurement device") AnnotationAssertion( "A ruler, a microarray scanner, a Geiger counter.") AnnotationAssertion( ) -AnnotationAssertion( "A device in which a measure function inheres.") +AnnotationAssertion( "A device in which a measure function inheres."@en) AnnotationAssertion( "GROUP:OBI Philly workshop") AnnotationAssertion( "OBI") AnnotationAssertion(rdfs:label "measurement device") @@ -407,7 +409,7 @@ SubClassOf( "manufacturer") AnnotationAssertion( ) -AnnotationAssertion( "A person or organization that has a manufacturer role.") +AnnotationAssertion( "A person or organization that has a manufacturer role."@en) AnnotationAssertion(rdfs:label "manufacturer") EquivalentClasses( ObjectIntersectionOf(ObjectUnionOf( ) ObjectSomeValuesFrom( ))) SubClassOf( ) @@ -416,7 +418,7 @@ SubClassOf( "test tube") AnnotationAssertion( ) -AnnotationAssertion( "A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material") +AnnotationAssertion( "A test tube is a device consisting of a glass or plastic tubing, open at the top, usually with a rounded U-shaped bottom which has the function to contain material"@en) AnnotationAssertion( "Bjoern Peters") AnnotationAssertion( "collection tube") AnnotationAssertion( "sample tube") @@ -429,7 +431,7 @@ SubClassOf( ObjectSomeValuesFrom( "container") AnnotationAssertion( ) -AnnotationAssertion( "A device that can be used to restrict the location of material entities over time") +AnnotationAssertion( "A device that can be used to restrict the location of material entities over time"@en) AnnotationAssertion( "03/21/2010: Added to allow classification of children (similar to what we want to do for 'measurement device'. Lookint at what classifies here, we may want to reconsider a contain function assigned to a part of an entity is necessarily also a function of the whole (e.g. is a centrifuge a container because it has test tubes as parts?)") AnnotationAssertion( "PERSON: Bjoern Peters") AnnotationAssertion(rdfs:label "container") @@ -442,7 +444,7 @@ AnnotationAssertion( "A voltmeter is a measurement device which is intended to perform some measure function.") AnnotationAssertion( "An autoclave is a device that sterlizes instruments or contaminated waste by applying high temperature and pressure.") AnnotationAssertion( ) -AnnotationAssertion( "A material entity that is designed to perform a function in a scientific investigation, but is not a reagent.") +AnnotationAssertion( "A material entity that is designed to perform a function in a scientific investigation, but is not a reagent."@en) AnnotationAssertion( "2012-12-17 JAO: In common lab usage, there is a distinction made between devices and reagents that is difficult to model. Therefore we have chosen to specifically exclude reagents from the definition of \"device\", and are enumerating the types of roles that a reagent can perform. 2013-6-5 MHB: The following clarifications are outcomes of the May 2013 Philly Workshop. Reagents are distinguished from devices that also participate in scientific techniques by the fact that reagents are chemical or biological in nature and necessarily participate in some chemical interaction or reaction during the realization of their experimental role. By contrast, devices do not participate in such chemical reactions/interactions. Note that there are cases where devices use reagent components during their operation, where the reagent-device distinction is less clear. For example: @@ -485,7 +487,7 @@ SubClassOf( "computer") AnnotationAssertion( "Apple PowerBook, Dell OptiPlex") AnnotationAssertion( ) -AnnotationAssertion( "A computer is an instrument which manipulates (stores, retrieves, and processes) data according to a list of instructions.") +AnnotationAssertion( "A computer is an instrument which manipulates (stores, retrieves, and processes) data according to a list of instructions."@en) AnnotationAssertion( "Melanie Courtot") AnnotationAssertion( "Trish Whetzel") AnnotationAssertion( "http://en.wikipedia.org/wiki/Computer") diff --git a/src/ontology/imports/omo_import.owl b/src/ontology/imports/omo_import.owl index dcf743a..85524b9 100644 --- a/src/ontology/imports/omo_import.owl +++ b/src/ontology/imports/omo_import.owl @@ -7,11 +7,10 @@ Prefix(rdfs:=) Ontology( - -Annotation( ) -Annotation(owl:versionInfo "2024-02-20") + +Annotation( ) +Annotation(owl:versionInfo "2025-02-18") -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -108,6 +107,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -130,6 +130,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -634,6 +635,15 @@ AnnotationAssertion( "acronym") SubAnnotationPropertyOf( ) +# Annotation Property: (has symbol) + +AnnotationAssertion( "A serial number such as \"12324X\"; a stop sign; a written proper name such as \"OBI") +AnnotationAssertion( "An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity.") +AnnotationAssertion( ) +AnnotationAssertion( ) +AnnotationAssertion( "2024-03-25"^^xsd:date) +AnnotationAssertion(rdfs:label "has symbol") + # Annotation Property: (has broad synonym) AnnotationAssertion( "An alternative label for a class or property which has a more general meaning than the preferred name/primary label.") @@ -643,6 +653,15 @@ AnnotationAssertion(rdfs:label "https://github.com/information-artifact-ontology/ontology-metadata/issues/18") SubAnnotationPropertyOf( ) +# Annotation Property: (has cross-reference) + +AnnotationAssertion( "disease characteristic (MONDO:0021125) has cross-reference (http://www.geneontology.org/formats/oboInOwl#hasDbXref) \"NCIT:C41009\"^^xsd:string") +AnnotationAssertion( "An annotation property that links an ontology entity or a statement to a prefixed identifier or URI.") +AnnotationAssertion( ) +AnnotationAssertion( ) +AnnotationAssertion( "2024-03-18"^^xsd:date) +AnnotationAssertion(rdfs:label "has cross-reference") + # Annotation Property: (has exact synonym) AnnotationAssertion( "An alternative label for a class or property which has the exact same meaning than the preferred name/primary label.") @@ -686,7 +705,6 @@ SubClassOf( "information content entity"@en) AnnotationAssertion(rdfs:label "information content entity"@en) -SubClassOf( ) # Class: (curation status specification) diff --git a/src/ontology/imports/ro_import.owl b/src/ontology/imports/ro_import.owl index 6902244..994045e 100644 --- a/src/ontology/imports/ro_import.owl +++ b/src/ontology/imports/ro_import.owl @@ -7,9 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2024-08-26") +Annotation(owl:versionInfo "2025-02-18") Declaration(Class()) Declaration(Class()) @@ -66,6 +66,8 @@ Declaration(AnnotationProperty() Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) From 519f45d5b32db385a2096d5e793de109fcec228c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Tue, 18 Feb 2025 11:55:24 +0100 Subject: [PATCH 02/21] Create ROBOT diff between current v1.1 & new nmrCV.owl --- diff_v1.1-v2.html | 7330 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 7330 insertions(+) create mode 100644 diff_v1.1-v2.html diff --git a/diff_v1.1-v2.html b/diff_v1.1-v2.html new file mode 100644 index 0000000..7da3e1a --- /dev/null +++ b/diff_v1.1-v2.html @@ -0,0 +1,7330 @@ + + + + + + + + OWL diff + + + +

Ontology comparison

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  • Ontology IRI: <http://nmrML.org/nmrCV>
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  • Version IRI: None
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  • Loaded from: <file:/work/nmrCV_v1.1.owl>
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  • Ontology IRI: <http://nmrML.org/nmrCV>
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  • Version IRI: None
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  • Loaded from: <file:/work/src/ontology/nmrCV-edit.owl>
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Ontology imports

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Ontology annotations

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  • defaultLanguage "en"^^string
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    • example of usage "http://nmrml.org/examples/"^^string
        • +
      • definition "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. + This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model."^^string
          • +
        • curator note "In case we like to be able to convert this owl CV back into the obo format, we should only use DL/owl constructs that are supported by obo. Hence, editors of this CV should take care not to use any higher descriptrion logics semantics, i.e. cardinality restrictions or defined terms using constructors. We should start to build the taxonomic backbone first and later connect the main axis via relations. +If we want to use restrictions, we should only use existential quantifiers as the OBO format does not support universal quantification. + +List of terms required by current XSD (August 2013): these were bookmarked in CV (annotation property) and are visible in the new nmrTab: + +CVTerm occurrences: +buffer-->buffer +solvent-->solvent +concentration standard type-->calibration compound , what is chemical shift reference ? What calibration_reference_shift under calibration compound ? +concentration standard name we here see a use-mention problem arising for the CV. The xsd should probably change here to avoid this. +encoding method (Quadrature detection method) is this the same as encoding method ? +sample container-->NMR_sample_holder +(spectrum) y axis type-->coordinate system descriptor +post acquisition solvent suppression method Two usages in xsd, but with differrent type ? -->solvent suppression method +calibration compound Two usages in xsd, but with differrent type ?-->calibration compound +data transformation method-->data transformation method +(spectral) projection method-->projection method +spectral denoising method-->spectral denoising method +window function method-->window function method +baseline correction method-->baseline correction +sample type-->NMR sample + +CVParam occurrences: +file content-->data file content +software type-->software +source file type-->data file attribute (needs refactoring) +instrument configuration type-->instrument configuration +processing method type-->data processing method + +CVParamType occurrences: +chemical shift standard-->chemical shift standard +solvent suppression method-->solvent suppression method +encoding scheme (Quadrature detection method)-->encoding method +window function parameter-->window function parameter + +CVParamWithUnitType occurrences: +CVParamWithUnitType is currently not used in the xsd and dangling ! I assume ValueWithUnitType substitutes it ? + +UserParamType occurrences: +No CV terms needed + +ValueWithUnitType occurrences: +These will have to be used from the Unit ontology."^^string
            • +
          • contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen"^^string
              • +
            • coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project."^^string
                • +
              • format "OWL + +MIME type application/rdf+xml + +(Rather flat CV in OWL syntax. Taxonomic backbone with few relations used. No OWL DL complexity such as cardinalities, blank nodes, nested class definitions. The Semantic Validator used an OBO converted file format due to historic reasons. The OBO file is auto-generated-by the OWL API (version 3.4.2).)"^^string
                  • +
                • rights "Creative Commons Public Domain Mark 1.0"
                    • +
                  • title "nuclear magnetic resonance CV"^^string
                      • +
                    • location "https://github.com/nmrML/nmrML/tree/master/ontologies"^^string
                        • +
                      • maintainer "http://www.metabolomics-msi.org/ +http://phenomenal-h2020.eu/home/ +http://www.cosmos-fp7.eu/WP2"^^string
                          • +
                        • auto-generated-by "OBO-Edit 2.2"^^string
                            • +
                          • created_by "Daniel Schober"^^string
                              • +
                            • creation_date "2017-10-19T10:11:26Z"^^dateTime
                                • +
                              • has_obo_format_version "1.2"^^string
                                  • +
                                • saved-by "dschober"^^string
                                    • +
                                  • homepage "http://nmrml.org/cv/"^^string
                                      • +
                                    • versionInfo "1.1.0"^^string
                                        • +
                                      • comment "This version (1.1.0) uses the Basic Formal Ontology (BFO) as its top level ontology. We might at some point close the resulting semantic gap by using OBI and IAO as intermediate bridges."^^string
                                          • +
                                        + + +

                                        Added

                                        +
                                          +
                                        • contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. + +People involved in the term creation from ID >1400000 : + +This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): + +Daniel Schober (EBI) +Chris Taylor (EBI and HUPO-PSI) +Dennis Rubtsov (Un of Cambridge, UK) +Helen Jenkins (Un of Wales, Aberystwyth, UK) +Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) +Larissa Soldatova (University of Wales, Aberystwyth, UK) +Philippe Rocca-Serra (EBI and MGED Society) +Susanna-Assunta Sansone (EBI) + +People involved in the term creation from ID<1400000: + +Joseph Cruz +Daniel Schober +Michael Wilson +Reza Salek +Daniel Jacob +David Wishart + +Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. + +Other people that substantially helped in revising the latest and Cosmos governed CV additions were: + +Michael Wilson, Wishart Group, Edmonton, Alberta, Canada +Daniel Jacob, INRA, Bordeaux, France +Annick Moing, INRA, Bordeaux, France +Catherine Deborde, INRA, Bordeaux, France +Reza Salek, EBI, Hinxton, UK +Philippe Rocca-Serra, University of Oxford, Oxford, UK +Andrea Porzel, IPB-Halle, Germany +and the COSMOS WP2 team + +A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title +`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen"
                                            • +
                                          • coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open +access nmrML XML format developed by the COSMOS EU project."
                                              • +
                                            • description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model."
                                                • +
                                              • license <https://creativecommons.org/publicdomain/mark/1.0/>
                                                  • +
                                                • title "nuclear magnetic resonance CV"
                                                    • +
                                                  • location "https://github.com/nmrML/nmrCV"
                                                      • +
                                                    • maintainer "https://www.wikidata.org/wiki/Q96678459"
                                                        • +
                                                      • versionInfo "2.0_alpha"
                                                          • +
                                                        + +
                                                        + +
                                                        +

                                                        total correlation spectroscopy pulse sequence - http://nmrML.org/nmrCV#NMR:1400168

                                                        + +

                                                        Removed

                                                        +
                                                          +
                                                        • total correlation spectroscopy pulse sequence comment "tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. + defprov: Daniel Schober + synonym:2D TOCSY pulse sequence"^^string
                                                            • +
                                                          + + +

                                                          Added

                                                          +
                                                            +
                                                          • total correlation spectroscopy pulse sequence comment "tempdef: Total Correlation Spectroscopy. A 2D homonuclear correlation experiment used to analyse scalar (J) coupling networks between protons. TOCSY is able to relay magnetisation between spins, A-B-C-D.., and can therefore show correlations amongst spins that are not directly coupled (eg A-C and A-D) but exist within the same spin system. + defprov: Daniel Schober + synonym:2D TOCSY pulse sequence"
                                                              • +
                                                            + +
                                                            + +
                                                            +

                                                            1,1,2,2-tetrachlorethane-d2 - http://purl.obolibrary.org/obo/CHEBI_193134

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            1,1,2-Trichlorotrifluoroethane - http://purl.obolibrary.org/obo/CHEBI_193131

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            1-Propanesulfonic acid, 3-(trimethylsilyl)- (sodium salt) - http://purl.obolibrary.org/obo/CHEBI_195173

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            101Ru spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002152

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            103Rh spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002088

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            105Pd spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002153

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            107Ag spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002089

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            109Ag spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002090

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            10B spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002128

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            111Cd spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002091

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            113Cd spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002092

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            113In spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002154

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            115In spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002155

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            115Sn spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002093

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            117Sn spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002094

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            119Sn spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002095

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            11B spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002127

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            121Sb spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002156

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            123Sb spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002157

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            123Te spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002096

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            125Te spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002097

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            127I spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002158

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            129Xe spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002098

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            131Xe spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002159

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            133Cs spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002160

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            135Ba spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002161

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            137Ba spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002162

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            138La spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002163

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            139La spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002164

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            13C spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:1000030

                                                            + +

                                                            Removed

                                                            + + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            14N spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002126

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            15N spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:1000036

                                                            + +

                                                            Removed

                                                            + + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            177Hf spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002165

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            179Hf spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002166

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            17O spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002125

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            181Ta spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002167

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            183W spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002099

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            185Re spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002168

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            187Os spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002100

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            187Re spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002169

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            189Os spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002170

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            191Ir spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002171

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            193Ir spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002172

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            195Pt spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002101

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            197Au spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002173

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            199Hg spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002102

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            19F spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002083

                                                            + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            1D NMR acquisition parameter set - http://nmrML.org/nmrCV#NMR:1400165

                                                            + +

                                                            Removed

                                                            + + + +

                                                            Added

                                                            + + +
                                                            + +
                                                            +

                                                            1D pulse sequence - http://nmrML.org/nmrCV#NMR:1400169

                                                            + +

                                                            Removed

                                                            +
                                                              +
                                                            • 1D pulse sequence comment "def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). + synonym: 1D"^^string
                                                                • +
                                                              + + +

                                                              Added

                                                              +
                                                                +
                                                              • 1D pulse sequence comment "def: One dimensional (referring to a FID, pre-processed spectrum, or post-processed spectrum). + synonym: 1D"
                                                                  • +
                                                                + +
                                                                + +
                                                                +

                                                                1D spectrum - http://nmrML.org/nmrCV#NMR:1400161

                                                                + +

                                                                Removed

                                                                + + + +

                                                                Added

                                                                + + +
                                                                + +
                                                                +

                                                                1H spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:1000026

                                                                + +

                                                                Removed

                                                                + + + +

                                                                Added

                                                                + + +
                                                                + +
                                                                +

                                                                1mm MicroProbe - http://nmrML.org/nmrCV#NMR:1400194

                                                                + +

                                                                Removed

                                                                +
                                                                  +
                                                                • 1mm MicroProbe comment "def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: + up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) + excellent solvent suppression properties + virtually no salt effect + discrete samples in tubes that can be sealed and stored + automation accessory for sample preparation and handling available + defprov: Bruker website"^^string
                                                                    • +
                                                                  + + +

                                                                  Added

                                                                  +
                                                                    +
                                                                  • 1mm MicroProbe comment "def: Over the past few years there has been a significantly growing demand for miniaturization in all areas ofmodern research and development. Evoked by many exciting applications, there is a need for analytical methods which require less amounts of sample. Bruker BioSpin meets this challenge with a revolutionary NMR probe design: The 1mm MicroProbe. It operates with disposable 1mm capillary sample tubes and the sample volume of 5 microliters enables the use of lowest amounts of sample to run all high resolution NMR experiments with outstanding sensitivity and up to 16 times faster measurements. Due to the TXI-type probe design, the z-gradient coil and the automatic matching and tuning accessory, the 1mm MicroProbe can be used for a wide variety of NMR experiments. The key advantages of this probe include: + up to 4 times higher mass sensitivity than 5mm conventional probes (with respect to the same sample amount) + excellent solvent suppression properties + virtually no salt effect + discrete samples in tubes that can be sealed and stored + automation accessory for sample preparation and handling available + defprov: Bruker website"
                                                                      • +
                                                                    + +
                                                                    + +
                                                                    +

                                                                    201Hg spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002174

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    203Ti spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002103

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    205Ti spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002104

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    207Pb spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002105

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    209Bi spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002175

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    21Ne spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002124

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    23Na spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002123

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    25Mg spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002122

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    27Al spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002121

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    29Si spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002084

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    2D J-resolved spectrum - http://nmrML.org/nmrCV#NMR:1000086

                                                                    + +

                                                                    Removed

                                                                    + + + +
                                                                    + +
                                                                    +

                                                                    2D NMR acquisition parameter set - http://nmrML.org/nmrCV#NMR:1400166

                                                                    + +

                                                                    Removed

                                                                    + + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    2D spectrum - http://nmrML.org/nmrCV#NMR:1400162

                                                                    + +

                                                                    Removed

                                                                    + + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    2H spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:1000431

                                                                    + +

                                                                    Removed

                                                                    + + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    3-(trimethylsilyl)propane-1-sulfonic acid - http://purl.obolibrary.org/obo/CHEBI_85362

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    31P spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:1000058

                                                                    + +

                                                                    Removed

                                                                    + + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    33S spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002120

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    35Cl spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002119

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    37Cl spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002118

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    39K spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002117

                                                                    + + +

                                                                    Added

                                                                    + + +
                                                                    + +
                                                                    +

                                                                    3D strip plot generation - http://nmrML.org/nmrCV#NMR:1000154

                                                                    + +

                                                                    Removed

                                                                    +
                                                                      +
                                                                    • 3D strip plot generation definition "A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. +The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus."
                                                                        • +
                                                                      + + +

                                                                      Added

                                                                      +
                                                                        +
                                                                      • 3D strip plot generation definition "A spectrum vizualization method for 3D nmr spectra, assisting assignments for large sequential molecules, i.e. Proteins. +The first two axis in the plot represent the ppms along the two acquisition nuclei, and a third dimension captures the sequential molecule order for the third nucleus."
                                                                          • +
                                                                        + +
                                                                        + +
                                                                        +

                                                                        3H spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002008

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        3He spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002082

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        40K spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002116

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        41K spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002115

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        43Ca spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002114

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        45Sc spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002113

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        47Ti spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002112

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        49Ti spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002111

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        50V spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002110

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        51V spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002109

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        53Cr spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002108

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        55Mn spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002107

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        57Fe spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002085

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        59Co spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002106

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        61Ni spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002133

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        63Cu spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002134

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        65Cu spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002135

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        67Zn spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002136

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        69Ga spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002137

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        6Li spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002132

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        71Ga spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002138

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        73Ge spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002139

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        75As spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002140

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        77Se spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002086

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        79Br spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002141

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        7Li spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002131

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        81Br spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002142

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        83Kr spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002143

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        85Rb spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002144

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        87Rb spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002145

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        87Sr spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMRCV:0002000

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        89Y spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002087

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        91Zr spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002146

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        93Nb spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002147

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        95Mo spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002148

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        97Mo spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002149

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        99Ru spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002151

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        99Tc spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002150

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        9Be spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002130

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        Acorn NMR Inc - http://nmrML.org/nmrCV#NMR:1400270

                                                                        + +

                                                                        Removed

                                                                        + + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        Agilent NMR instrument - http://nmrML.org/nmrCV#NMR:1000400

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        Agilent Technologies - http://nmrML.org/nmrCV#NMR:1400309

                                                                        + +

                                                                        Removed

                                                                        + + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        Ammonium pertechnetate - http://purl.obolibrary.org/obo/CHEBI_231509

                                                                        + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        Applied Biosystems - http://nmrML.org/nmrCV#NMR:1400316

                                                                        + +

                                                                        Removed

                                                                        + + + +

                                                                        Added

                                                                        + + +
                                                                        + +
                                                                        +

                                                                        B-ACS - http://nmrML.org/nmrCV#NMR:1400210

                                                                        + +

                                                                        Removed

                                                                        +
                                                                          +
                                                                        • B-ACS comment "def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. + defprov: Bruker website"^^string
                                                                            • +
                                                                          + + +

                                                                          Added

                                                                          +
                                                                            +
                                                                          • B-ACS comment "def: The Bruker Automatic Sample Changer (B-ACS 60/120), used in conjunction with Bruker DISNMR, UXNMR or XWIN-NMR software, provides dialog-guided facilities which allow the user to easily and effectively perform automatic (continuous) experiments. Features include a 60 or 120 sample capacity, random accessing of samples, positive sample identification with the optional bar code reader, and temperature control of individual samples with the optional sample heater unit. + defprov: Bruker website"
                                                                              • +
                                                                            + +
                                                                            + +
                                                                            +

                                                                            Bismut(III)-nitrat - http://purl.obolibrary.org/obo/CHEBI_231538

                                                                            + + +

                                                                            Added

                                                                            + + +
                                                                            + +
                                                                            +

                                                                            Boron trifluoride etherate - http://purl.obolibrary.org/obo/CHEBI_231495

                                                                            + + +

                                                                            Added

                                                                            + + +
                                                                            + +
                                                                            +

                                                                            Bruker - http://nmrML.org/nmrCV#NMR:1400256

                                                                            + +

                                                                            Removed

                                                                            + + + +

                                                                            Added

                                                                            + + +
                                                                            + +
                                                                            +

                                                                            Bruker AutoClean - http://nmrML.org/nmrCV#NMR:1400205

                                                                            + +

                                                                            Removed

                                                                            +
                                                                              +
                                                                            • Bruker AutoClean comment "def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. + defprov: Bruker website"^^string
                                                                                • +
                                                                              + + +

                                                                              Added

                                                                              +
                                                                                +
                                                                              • Bruker AutoClean comment "def: In today's fast-paced research environment, NMR tubes are often used once and discarded, creating needless waste. With the Bruker BioSpin Autoclean™ system you can now recycle 5mm, 3mm, or 5mm/3mm step-down (Wilmad 520-1B) NMR tubes. AutoClean NMR Tube Washing System is a simple way to recoup the substantial investment your organization makes in quality NMR tubes, and cut back on needless waste material. + defprov: Bruker website"
                                                                                  • +
                                                                                • Bruker AutoClean SubClassOf is_manufactured_by value Bruker
                                                                                    • +
                                                                                  + +
                                                                                  + +
                                                                                  +

                                                                                  Bruker BEST NMR - http://nmrML.org/nmrCV#NMR:1400206

                                                                                  + +

                                                                                  Removed

                                                                                  +
                                                                                    +
                                                                                  • Bruker BEST NMR comment "def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. + defprov: Bruker website + synonym: Bruker Efficient Sample Transfer NMR"^^string
                                                                                      • +
                                                                                    + + +

                                                                                    Added

                                                                                    +
                                                                                      +
                                                                                    • Bruker BEST NMR comment "def: The introduction of biological screening and combinatorial chemistry for chemical synthesis has also introduced new requirements for NMR automation, e.g., the use of well plates for sample input, increased demands on throughput, and the need for quick and simple interpretation of the acquired NMR data. + defprov: Bruker website + synonym: Bruker Efficient Sample Transfer NMR"
                                                                                        • +
                                                                                      + +
                                                                                      + +
                                                                                      +

                                                                                      Bruker CryoProbe - http://nmrML.org/nmrCV#NMR:1400191

                                                                                      + +

                                                                                      Removed

                                                                                      +
                                                                                        +
                                                                                      • Bruker CryoProbe comment "def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: + Significant S/N gains (with moderately salty samples also) + Short pulse widths + Short ring down times + Linear behavior in power response + Gradient capability + CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher + All high resolution probes have a lock circuit + All high resolution probes have Z-gradient + defprov: Bruker website"^^string
                                                                                          • +
                                                                                        + + +

                                                                                        Added

                                                                                        +
                                                                                          +
                                                                                        • Bruker CryoProbe comment "def: The Bruker BioSpin CryoProbe is a high-performance cryogenically cooled probe developed for high-resolution applications. It has improved signal/noise (S/N) ratios obtained by reducing the operating temperature of the coil and the pre-amplifier. As a result, the efficiency of the coil is improved and the noise of the coil and the pre-amplifier are reduced.The dramatic increase in the S/N ratio by a factor of 3-4, as compared to conventional probes, leads to a possible reduction in experiment time of up to 16 or a reduction in required sample concentration by a factor of up to 4. The CryoProbes possess key characteristics for NMR analysis: + Significant S/N gains (with moderately salty samples also) + Short pulse widths + Short ring down times + Linear behavior in power response + Gradient capability + CryoProbes are available as Triple Resonance, Dual, Selective X Detection, MicroImaging, and Quad Nucleus Probes configurations at 400 MHz and higher + All high resolution probes have a lock circuit + All high resolution probes have Z-gradient + defprov: Bruker website"
                                                                                            • +
                                                                                          + +
                                                                                          + +
                                                                                          +

                                                                                          Bruker MATCH - http://nmrML.org/nmrCV#NMR:1400211

                                                                                          + +

                                                                                          Removed

                                                                                          +
                                                                                            +
                                                                                          • Bruker MATCH comment "def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. + The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. + defprov: Bruker website + synonym: Bruker Multiple Adjustable Tube Clamp Holder"^^string
                                                                                              • +
                                                                                            + + +

                                                                                            Added

                                                                                            +
                                                                                              +
                                                                                            • Bruker MATCH comment "def: The Bruker Multiple Adjustable Tube Clamp Holder MATCH™ system is a holder for 100 mm long NMR sample tubes with diameters ranging from micro tubes up to 5 mm NMR tubes. The MATCH insert fits into a standard 10 mm Bruker spinner and is suitable for all non-spinning applications. + The MATCH system provides an easy and cost efficient means of optimizing the signal-to-noise ratio of each sample. By matching the NMR tube diameter to the size of the sample, most of the sample can be placed in the active column of the NMR coil. This leads to an enhanced signal detection compared to diluting the same sample quantity in a larger tube. + defprov: Bruker website + synonym: Bruker Multiple Adjustable Tube Clamp Holder"
                                                                                                • +
                                                                                              • Bruker MATCH SubClassOf is_manufactured_by value Bruker
                                                                                                  • +
                                                                                                + +
                                                                                                + +
                                                                                                +

                                                                                                Bruker NMR instrument - http://nmrML.org/nmrCV#NMR:1400198

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Bruker NMR magnet - http://nmrML.org/nmrCV#NMR:1400186

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Bruker NMR probe - http://nmrML.org/nmrCV#NMR:1400231

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Bruker autosampler - http://nmrML.org/nmrCV#NMR:1400209

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Bruker tube - http://nmrML.org/nmrCV#NMR:1000271

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Capillary LC-NMR instrument - http://nmrML.org/nmrCV#NMR:1400279

                                                                                                + +

                                                                                                Removed

                                                                                                + + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Chemagnetics - http://nmrML.org/nmrCV#NMR:0003006

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                Cu(MeCN)4ClO4 - http://purl.obolibrary.org/obo/CHEBI_231503

                                                                                                + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                DEPRECATED 2,2-Dimethyl-2-silapentane-5-sulfonate - http://nmrML.org/nmrCV#NMR:1000429

                                                                                                + +

                                                                                                Removed

                                                                                                + + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                DEPRECATED creatinine - http://nmrML.org/nmrCV#NMR:1000214

                                                                                                + +

                                                                                                Removed

                                                                                                + + + +

                                                                                                Added

                                                                                                + + +
                                                                                                + +
                                                                                                +

                                                                                                DISCOVERY console - http://nmrML.org/nmrCV#NMR:1400247

                                                                                                + +

                                                                                                Removed

                                                                                                +
                                                                                                  +
                                                                                                • DISCOVERY console comment "def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network + defprov: tecmag website"^^string
                                                                                                    • +
                                                                                                  + + +

                                                                                                  Added

                                                                                                  +
                                                                                                    +
                                                                                                  • DISCOVERY console comment "def: The Discovery™ is a Windows XP Professional-based, integrated console designed especially for Solid-State NMR. The console includes everything needed to interface to any magnet and solids probe - from computer to cables to duplexing network + defprov: tecmag website"
                                                                                                      • +
                                                                                                    + +
                                                                                                    + +
                                                                                                    +

                                                                                                    Deutero - http://nmrML.org/nmrCV#NMR:0003004

                                                                                                    + + +

                                                                                                    Added

                                                                                                    + + +
                                                                                                    + +
                                                                                                    +

                                                                                                    Doty Scientific - http://nmrML.org/nmrCV#NMR:1400264

                                                                                                    + +

                                                                                                    Removed

                                                                                                    + + + +

                                                                                                    Added

                                                                                                    + + +
                                                                                                    + +
                                                                                                    +

                                                                                                    FID file - http://nmrML.org/nmrCV#NMR:1400119

                                                                                                    + +

                                                                                                    Removed

                                                                                                    +
                                                                                                      +
                                                                                                    • FID file comment "def: A reference to a file containing the raw FID. + synonym: FID file reference"^^string
                                                                                                        • +
                                                                                                      + + +

                                                                                                      Added

                                                                                                      +
                                                                                                        +
                                                                                                      • FID file comment "def: A reference to a file containing the raw FID. + synonym: FID file reference"
                                                                                                          • +
                                                                                                        + +
                                                                                                        + +
                                                                                                        +

                                                                                                        FOSS - http://nmrML.org/nmrCV#NMR:1400307

                                                                                                        + +

                                                                                                        Removed

                                                                                                        + + + +

                                                                                                        Added

                                                                                                        + + +
                                                                                                        + +
                                                                                                        +

                                                                                                        G matrix fourier transform projection - http://nmrML.org/nmrCV#NMR:1400049

                                                                                                        + +

                                                                                                        Removed

                                                                                                        +
                                                                                                          +
                                                                                                        • G matrix fourier transform projection comment "tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. + defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf + synonym: GFT-projection"^^string
                                                                                                            • +
                                                                                                          + + +

                                                                                                          Added

                                                                                                          +
                                                                                                            +
                                                                                                          • G matrix fourier transform projection comment "tempdef:GFT NMR allows for rapid multidimensional FT NMR spectral information gathering, avoiding sampling limitations without compromising on the precision of chemicalshift. + defprov: ttp://www.nsm.buffalo.edu/Research/GFT/szyperski_publications_1st_page/Szyperski%2067.pdf + synonym: GFT-projection"
                                                                                                              • +
                                                                                                            + +
                                                                                                            + +
                                                                                                            +

                                                                                                            GCIs

                                                                                                            + + +

                                                                                                            Added

                                                                                                            + + +
                                                                                                            + +
                                                                                                            +

                                                                                                            General Electric - http://nmrML.org/nmrCV#NMR:1000390

                                                                                                            + +

                                                                                                            Removed

                                                                                                            + + + +

                                                                                                            Added

                                                                                                            + + +
                                                                                                            + +
                                                                                                            +

                                                                                                            Hyphenated NMR instrument - http://nmrML.org/nmrCV#NMR:1400200

                                                                                                            + +

                                                                                                            Removed

                                                                                                            + + + +

                                                                                                            Added

                                                                                                            + + +
                                                                                                            + +
                                                                                                            +

                                                                                                            J-resolved pulse sequence - http://nmrML.org/nmrCV#NMR:1400170

                                                                                                            + +

                                                                                                            Removed

                                                                                                            +
                                                                                                              +
                                                                                                            • J-resolved pulse sequence comment "tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. + defprov: Daniel Schober + synonym: 2D J-resolved"^^string
                                                                                                                • +
                                                                                                              + + +

                                                                                                              Added

                                                                                                              +
                                                                                                                +
                                                                                                              • J-resolved pulse sequence comment "tempdef: In 1D NMR, as the multiplets from different chemically shifted nuclei overlap, spectral assignments become too difficult. In order to resolve the chemical shift and spin-spin coupling parameters along the different axis, 2D and 3D J-resolved NMR spectroscopies are used. + defprov: Daniel Schober + synonym: 2D J-resolved"
                                                                                                                  • +
                                                                                                                + +
                                                                                                                + +
                                                                                                                +

                                                                                                                JEOL - http://nmrML.org/nmrCV#NMR:1400258

                                                                                                                + +

                                                                                                                Removed

                                                                                                                + + + +

                                                                                                                Added

                                                                                                                + + +
                                                                                                                + +
                                                                                                                +

                                                                                                                JEOL NMR instrument - http://nmrML.org/nmrCV#NMR:1400226

                                                                                                                + + +

                                                                                                                Added

                                                                                                                + + +
                                                                                                                + +
                                                                                                                +

                                                                                                                JEOL NMR probe - http://nmrML.org/nmrCV#NMR:1400232

                                                                                                                + + +

                                                                                                                Added

                                                                                                                + + +
                                                                                                                + +
                                                                                                                +

                                                                                                                JEOL magnet - http://nmrML.org/nmrCV#NMR:1000272

                                                                                                                + + +

                                                                                                                Added

                                                                                                                + + +
                                                                                                                + +
                                                                                                                +

                                                                                                                JNM-ECZR Series FT NMR instrument - http://nmrML.org/nmrCV#NMR:1000369

                                                                                                                + +

                                                                                                                Removed

                                                                                                                +
                                                                                                                  +
                                                                                                                • JNM-ECZR Series FT NMR instrument definition "JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. +Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. +The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. +400 MHz - 1 GHz"
                                                                                                                    • +
                                                                                                                  + + +

                                                                                                                  Added

                                                                                                                  +
                                                                                                                    +
                                                                                                                  • JNM-ECZR Series FT NMR instrument definition "JNM-ECZR series is a new system that fully incorporates the latest digital and high frequency technologies. +Improved reliability and a more compact size make possible by incorporating more advanced integrated circuits, it supports even greater expandability options than current models for multi-channel operation, high power amplifiers and other accessories. +The bus line for control of attachments has been upgraded to high speed and enables highly accurate and rapid control. +400 MHz - 1 GHz"
                                                                                                                      • +
                                                                                                                    + +
                                                                                                                    + +
                                                                                                                    +

                                                                                                                    JNM-ECZS Series FT NMR instrument - http://nmrML.org/nmrCV#NMR:1000370

                                                                                                                    + +

                                                                                                                    Removed

                                                                                                                    +
                                                                                                                      +
                                                                                                                    • JNM-ECZS Series FT NMR instrument definition "The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. +Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. +Whatever your application field ECZS can demonstrate its power. +400 MHz"
                                                                                                                        • +
                                                                                                                      + + +

                                                                                                                      Added

                                                                                                                      +
                                                                                                                        +
                                                                                                                      • JNM-ECZS Series FT NMR instrument definition "The entry model ECZS spectrometer has the same basic functions, performance and capability of high-end model. The main console is amazingly small, less than 1/2 that of the current ECS series spectrometer. +Coupling the use of advanced software with highly reliable automation, all routine daily measurements can be automated, while the use of the autotune Supercool probe realizes the world’s highest sensitivity in its class. +Whatever your application field ECZS can demonstrate its power. +400 MHz"
                                                                                                                          • +
                                                                                                                        + +
                                                                                                                        + +
                                                                                                                        +

                                                                                                                        JS Research - http://nmrML.org/nmrCV#NMR:1400266

                                                                                                                        + +

                                                                                                                        Removed

                                                                                                                        + + + +

                                                                                                                        Added

                                                                                                                        + + +
                                                                                                                        + +
                                                                                                                        +

                                                                                                                        Jasco - http://nmrML.org/nmrCV#NMR:1400308

                                                                                                                        + +

                                                                                                                        Removed

                                                                                                                        + + + +

                                                                                                                        Added

                                                                                                                        + + +
                                                                                                                        + +
                                                                                                                        +

                                                                                                                        Kaliumhexachloroantimonat(V) - http://purl.obolibrary.org/obo/CHEBI_231513

                                                                                                                        + + +

                                                                                                                        Added

                                                                                                                        + + +
                                                                                                                        + +
                                                                                                                        +

                                                                                                                        Kimble Chase - http://nmrML.org/nmrCV#NMR:1000391

                                                                                                                        + +

                                                                                                                        Removed

                                                                                                                        + + + +

                                                                                                                        Added

                                                                                                                        + + +
                                                                                                                        + +
                                                                                                                        +

                                                                                                                        LC MS NMR instrument - http://nmrML.org/nmrCV#NMR:1400277

                                                                                                                        + +

                                                                                                                        Removed

                                                                                                                        + + + +

                                                                                                                        Added

                                                                                                                        + + +
                                                                                                                        + +
                                                                                                                        +

                                                                                                                        Lorentz Gaussian window function - http://nmrML.org/nmrCV#NMR:1000255

                                                                                                                        + +

                                                                                                                        Removed

                                                                                                                        +
                                                                                                                          +
                                                                                                                        • Lorentz Gaussian window function comment "Functional form: + gm(x_i) = exp(e - g*g) + Where: e = pi*i*g1 + g = 0.6*pi*g2*(g3*(size-1)-i) + Parameters: + * data Array of spectral data. + * g1 Inverse exponential width. + * g2 Gaussian broaden width. + * g3 Location of gauss maximum. + * inv Set True for inverse apodization."
                                                                                                                            • +
                                                                                                                          + + +

                                                                                                                          Added

                                                                                                                          +
                                                                                                                            +
                                                                                                                          • Lorentz Gaussian window function comment "Functional form: + gm(x_i) = exp(e - g*g) + Where: e = pi*i*g1 + g = 0.6*pi*g2*(g3*(size-1)-i) + Parameters: + * data Array of spectral data. + * g1 Inverse exponential width. + * g2 Gaussian broaden width. + * g3 Location of gauss maximum. + * inv Set True for inverse apodization."
                                                                                                                              • +
                                                                                                                            + +
                                                                                                                            + +
                                                                                                                            +

                                                                                                                            MR Resources - http://nmrML.org/nmrCV#NMR:1400259

                                                                                                                            + +

                                                                                                                            Removed

                                                                                                                            + + + +

                                                                                                                            Added

                                                                                                                            + + +
                                                                                                                            + +
                                                                                                                            +

                                                                                                                            Magritek - http://nmrML.org/nmrCV#NMR:0003001

                                                                                                                            + + +

                                                                                                                            Added

                                                                                                                            + + +
                                                                                                                            + +
                                                                                                                            +

                                                                                                                            N,N-dimethylformamide-d7 - http://purl.obolibrary.org/obo/CHEBI_193040

                                                                                                                            + + +

                                                                                                                            Added

                                                                                                                            + + +
                                                                                                                            + +
                                                                                                                            +

                                                                                                                            NMR Case - http://nmrML.org/nmrCV#NMR:1400203

                                                                                                                            + +

                                                                                                                            Removed

                                                                                                                            +
                                                                                                                              +
                                                                                                                            • NMR Case comment "def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. + defprov: Bruker website"^^string
                                                                                                                                • +
                                                                                                                              + + +

                                                                                                                              Added

                                                                                                                              +
                                                                                                                                +
                                                                                                                              • NMR Case comment "def: The NMR Case is an economical NMR sample changer for laboratories with modest automation needs. It expands the maximum number of samples your spectrometer can process during unattended operation to 24. The NMR Case consists of multiple components. The NMR Case exchange module installed atop your cryostat. The two front legs are adjustable, making the NMR Case compatible with many different cryostats. + defprov: Bruker website"
                                                                                                                                  • +
                                                                                                                                + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR Service - http://nmrML.org/nmrCV#NMR:0003003

                                                                                                                                + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR acquisition computer - http://nmrML.org/nmrCV#NMR:1400013

                                                                                                                                + +

                                                                                                                                Removed

                                                                                                                                + + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR autosampler - http://nmrML.org/nmrCV#NMR:1400002

                                                                                                                                + +

                                                                                                                                Removed

                                                                                                                                + + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR buffer - http://nmrML.org/nmrCV#NMR:1000331

                                                                                                                                + +

                                                                                                                                Removed

                                                                                                                                + + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR calibration compound role - http://nmrML.org/nmrCV#NMR:0002005

                                                                                                                                + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR characterized compound role - http://nmrML.org/nmrCV#NMR:0002002

                                                                                                                                + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR chemical shift calibration compound role - http://nmrML.org/nmrCV#NMR:0002006

                                                                                                                                + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR chemical shift reference compound - http://purl.obolibrary.org/obo/CHEBI_228364

                                                                                                                                + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR concentration calibration compound role - http://nmrML.org/nmrCV#NMR:0002007

                                                                                                                                + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR console - http://nmrML.org/nmrCV#NMR:1400015

                                                                                                                                + +

                                                                                                                                Removed

                                                                                                                                + + + +

                                                                                                                                Added

                                                                                                                                + + +
                                                                                                                                + +
                                                                                                                                +

                                                                                                                                NMR data post-processing parameter set - http://nmrML.org/nmrCV#NMR:1400106

                                                                                                                                + +

                                                                                                                                Removed

                                                                                                                                +
                                                                                                                                  +
                                                                                                                                • NMR data post-processing parameter set comment "def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. + synonym: NMR spectrum post-processing parameter set"^^string
                                                                                                                                    • +
                                                                                                                                  + + +

                                                                                                                                  Added

                                                                                                                                  +
                                                                                                                                    +
                                                                                                                                  • NMR data post-processing parameter set comment "def: A description of the post-processing strategy used to convert a pre-processed NMR spectrum into a suitable data format for chemometric analysis. + synonym: NMR spectrum post-processing parameter set"
                                                                                                                                      • +
                                                                                                                                    + +
                                                                                                                                    + +
                                                                                                                                    +

                                                                                                                                    NMR data pre-processing parameter set - http://nmrML.org/nmrCV#NMR:1400114

                                                                                                                                    + +

                                                                                                                                    Removed

                                                                                                                                    + + + +

                                                                                                                                    Added

                                                                                                                                    + + +
                                                                                                                                    + +
                                                                                                                                    +

                                                                                                                                    NMR device manufacturer - http://nmrML.org/nmrCV#NMR:1400255

                                                                                                                                    + +

                                                                                                                                    Removed

                                                                                                                                    + + + +

                                                                                                                                    Added

                                                                                                                                    + + +
                                                                                                                                    + +
                                                                                                                                    +

                                                                                                                                    NMR instrument - http://nmrML.org/nmrCV#NMR:1400059

                                                                                                                                    + +

                                                                                                                                    Removed

                                                                                                                                    + + + +

                                                                                                                                    Added

                                                                                                                                    + + +
                                                                                                                                    + +
                                                                                                                                    +

                                                                                                                                    NMR instrument acquisition parameter set - http://nmrML.org/nmrCV#NMR:1400061

                                                                                                                                    + +

                                                                                                                                    Removed

                                                                                                                                    +
                                                                                                                                      +
                                                                                                                                    • NMR instrument acquisition parameter set comment "def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. + altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. + synonym: NMR instrument acquisition parameter set"^^string
                                                                                                                                        • +
                                                                                                                                      + + +

                                                                                                                                      Added

                                                                                                                                      +
                                                                                                                                        +
                                                                                                                                      • NMR instrument acquisition parameter set comment "def: The list of parameters that describe the instrument settings used for the acquisition of a spectrum. + altdef: The set of variables dependent on a given pulse sequence that will be optimised in order to acquire a spectrum. + synonym: NMR instrument acquisition parameter set"
                                                                                                                                          • +
                                                                                                                                        + +
                                                                                                                                        + +
                                                                                                                                        +

                                                                                                                                        NMR magnet - http://nmrML.org/nmrCV#NMR:1400185

                                                                                                                                        + +

                                                                                                                                        Removed

                                                                                                                                        +
                                                                                                                                          +
                                                                                                                                        • NMR magnet comment "def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. + altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss."^^string
                                                                                                                                            • +
                                                                                                                                          • NMR magnet SubClassOf cardinal part of NMR instrument
                                                                                                                                              • +
                                                                                                                                            + + +

                                                                                                                                            Added

                                                                                                                                            +
                                                                                                                                              +
                                                                                                                                            • NMR magnet term tracker item 12
                                                                                                                                                • +
                                                                                                                                              • NMR magnet comment "def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. + altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss."
                                                                                                                                                  • +
                                                                                                                                                • NMR magnet SubClassOf part of some NMR instrument
                                                                                                                                                    • +
                                                                                                                                                  • NMR magnet SubClassOf device
                                                                                                                                                      • +
                                                                                                                                                    + +
                                                                                                                                                    + +
                                                                                                                                                    +

                                                                                                                                                    NMR probe - http://nmrML.org/nmrCV#NMR:1400014

                                                                                                                                                    + +

                                                                                                                                                    Removed

                                                                                                                                                    +
                                                                                                                                                      +
                                                                                                                                                    • NMR probe comment "def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. + altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample."^^string
                                                                                                                                                        • +
                                                                                                                                                      • NMR probe SubClassOf cardinal part of NMR instrument
                                                                                                                                                          • +
                                                                                                                                                        + + +

                                                                                                                                                        Added

                                                                                                                                                        +
                                                                                                                                                          +
                                                                                                                                                        • NMR probe term tracker item 12
                                                                                                                                                            • +
                                                                                                                                                          • NMR probe comment "def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. + altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample."
                                                                                                                                                              • +
                                                                                                                                                            • NMR probe SubClassOf part of some NMR instrument
                                                                                                                                                                • +
                                                                                                                                                              • NMR probe SubClassOf measurement device
                                                                                                                                                                  • +
                                                                                                                                                                + +
                                                                                                                                                                + +
                                                                                                                                                                +

                                                                                                                                                                NMR pulse sequence - http://nmrML.org/nmrCV#NMR:1400037

                                                                                                                                                                + +

                                                                                                                                                                Removed

                                                                                                                                                                + + + +

                                                                                                                                                                Added

                                                                                                                                                                + + +
                                                                                                                                                                + +
                                                                                                                                                                +

                                                                                                                                                                NMR quality check - http://nmrML.org/nmrCV#NMR:1400116

                                                                                                                                                                + +

                                                                                                                                                                Removed

                                                                                                                                                                +
                                                                                                                                                                  +
                                                                                                                                                                • NMR quality check comment "def: The process of ensuring the quality of the raw data that results from an NMR analysis. + synonym: NMR quality check"^^string
                                                                                                                                                                    • +
                                                                                                                                                                  + + +

                                                                                                                                                                  Added

                                                                                                                                                                  +
                                                                                                                                                                    +
                                                                                                                                                                  • NMR quality check comment "def: The process of ensuring the quality of the raw data that results from an NMR analysis. + synonym: NMR quality check"
                                                                                                                                                                      • +
                                                                                                                                                                    + +
                                                                                                                                                                    + +
                                                                                                                                                                    +

                                                                                                                                                                    NMR quality check descriptor - http://nmrML.org/nmrCV#NMR:1400126

                                                                                                                                                                    + +

                                                                                                                                                                    Removed

                                                                                                                                                                    + + + +

                                                                                                                                                                    Added

                                                                                                                                                                    + + +
                                                                                                                                                                    + +
                                                                                                                                                                    +

                                                                                                                                                                    NMR quality check parameter set - http://nmrML.org/nmrCV#NMR:1400107

                                                                                                                                                                    + +

                                                                                                                                                                    Removed

                                                                                                                                                                    +
                                                                                                                                                                      +
                                                                                                                                                                    • NMR quality check parameter set comment "tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis + synonym: NMR quality check parameter set"^^string
                                                                                                                                                                        • +
                                                                                                                                                                      + + +

                                                                                                                                                                      Added

                                                                                                                                                                      +
                                                                                                                                                                        +
                                                                                                                                                                      • NMR quality check parameter set comment "tempdef: A nuclear magnetic resonance spectroscopy quality check parameter set is a parameter set used for the quality check method for an NMR analysis + synonym: NMR quality check parameter set"
                                                                                                                                                                          • +
                                                                                                                                                                        + +
                                                                                                                                                                        + +
                                                                                                                                                                        +

                                                                                                                                                                        NMR sample - http://nmrML.org/nmrCV#NMR:1400128

                                                                                                                                                                        + +

                                                                                                                                                                        Removed

                                                                                                                                                                        +
                                                                                                                                                                          +
                                                                                                                                                                        • NMR sample comment "def: A sample that has been prepared for chemical analysis by NMR. NMR samples are usually liquid solutions contained in glass tubes. NMR solution sample volume ranges from 50ul to 5ml depending on the NMR probe. Sample concentrations of solute for 1H NMR are usually in the range of 100ug to 5g, with 10 to 50mg being typical. NMR is not a chemical trace analysis technique. The NMR signal of solids and gases can be recorded but to measure solid-state NMR additional specialized hardware is required. + synonym: NMR sample"^^string
                                                                                                                                                                            • +
                                                                                                                                                                          + + +

                                                                                                                                                                          Added

                                                                                                                                                                          + + +
                                                                                                                                                                          + +
                                                                                                                                                                          +

                                                                                                                                                                          NMR sample holder - http://nmrML.org/nmrCV#NMR:1400212

                                                                                                                                                                          + +

                                                                                                                                                                          Removed

                                                                                                                                                                          + + + +

                                                                                                                                                                          Added

                                                                                                                                                                          + + +
                                                                                                                                                                          + +
                                                                                                                                                                          +

                                                                                                                                                                          NMR sample identifier - http://nmrML.org/nmrCV#NMR:1400124

                                                                                                                                                                          + +

                                                                                                                                                                          Removed

                                                                                                                                                                          + + + +

                                                                                                                                                                          Added

                                                                                                                                                                          + + +
                                                                                                                                                                          + +
                                                                                                                                                                          +

                                                                                                                                                                          NMR sample tube - http://nmrML.org/nmrCV#NMR:1400132

                                                                                                                                                                          + +

                                                                                                                                                                          Removed

                                                                                                                                                                          + + + +

                                                                                                                                                                          Added

                                                                                                                                                                          + + +
                                                                                                                                                                          + +
                                                                                                                                                                          +

                                                                                                                                                                          NMR solvent (molecular entity) - http://nmrML.org/nmrCV#NMR:1000330

                                                                                                                                                                          + +

                                                                                                                                                                          Removed

                                                                                                                                                                          + + + +

                                                                                                                                                                          Added

                                                                                                                                                                          + + +
                                                                                                                                                                          + +
                                                                                                                                                                          +

                                                                                                                                                                          NMR spectral projection parameter set - http://nmrML.org/nmrCV#NMR:1400105

                                                                                                                                                                          + +

                                                                                                                                                                          Removed

                                                                                                                                                                          + + + +

                                                                                                                                                                          Added

                                                                                                                                                                          +
                                                                                                                                                                            +
                                                                                                                                                                          • NMR spectral projection parameter set comment "def: The data processing parameters that describe a method of translating a 2D NMR pre-processed spectrum into a 1D NMR spectrum. + synonym: NMR spectral projection parameter set"
                                                                                                                                                                              • +
                                                                                                                                                                            + +
                                                                                                                                                                            + +
                                                                                                                                                                            +

                                                                                                                                                                            NMR spectrum - http://nmrML.org/nmrCV#NMR:1002007

                                                                                                                                                                            + +

                                                                                                                                                                            Removed

                                                                                                                                                                            +
                                                                                                                                                                              +
                                                                                                                                                                            • NMR spectrum definition "tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. + def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. + synonym: NMR spectrum"^^string
                                                                                                                                                                                • +
                                                                                                                                                                              + + +

                                                                                                                                                                              Added

                                                                                                                                                                              +
                                                                                                                                                                                +
                                                                                                                                                                              • NMR spectrum definition "tempdef: A frequency sorted array of the NMR signal frequency components. Nuclei with different resonance frequencies will show up as peaks at different corresponding frequencies in the spectrum, or 'lines'. + def: A NMR spectrum is a set of chemical shifts representing a chemical analysis. + synonym: NMR spectrum"
                                                                                                                                                                                  • +
                                                                                                                                                                                + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                NMR tube washing system - http://nmrML.org/nmrCV#NMR:1400204

                                                                                                                                                                                + +

                                                                                                                                                                                Removed

                                                                                                                                                                                + + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Nalorac - http://nmrML.org/nmrCV#NMR:0003007

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Nanalysis - http://nmrML.org/nmrCV#NMR:0003002

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Norell tube - http://nmrML.org/nmrCV#NMR:1000297

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Norell® - http://nmrML.org/nmrCV#NMR:0003005

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                ObsoleteClass - http://www.geneontology.org/formats/oboInOwl#ObsoleteClass

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                OceanOptics - http://nmrML.org/nmrCV#NMR:1400314

                                                                                                                                                                                + +

                                                                                                                                                                                Removed

                                                                                                                                                                                + + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Oxford Instruments - http://nmrML.org/nmrCV#NMR:1000388

                                                                                                                                                                                + +

                                                                                                                                                                                Removed

                                                                                                                                                                                + + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Perkin Elmer - http://nmrML.org/nmrCV#NMR:1400313

                                                                                                                                                                                + +

                                                                                                                                                                                Removed

                                                                                                                                                                                + + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Phillips - http://nmrML.org/nmrCV#NMR:1000392

                                                                                                                                                                                + +

                                                                                                                                                                                Removed

                                                                                                                                                                                + + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Potassium cobalticyanide - http://purl.obolibrary.org/obo/CHEBI_231502

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Potassium hexachloropalladate(IV) - http://purl.obolibrary.org/obo/CHEBI_231511

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Potassium hexacyanoruthenate(ii) - http://purl.obolibrary.org/obo/CHEBI_231510

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Potassium perrhenate - http://purl.obolibrary.org/obo/CHEBI_231537

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                Potassium;tantalum(5+);hexachloride - http://purl.obolibrary.org/obo/CHEBI_231536

                                                                                                                                                                                + + +

                                                                                                                                                                                Added

                                                                                                                                                                                + + +
                                                                                                                                                                                + +
                                                                                                                                                                                +

                                                                                                                                                                                SampleJet - http://nmrML.org/nmrCV#NMR:1400208

                                                                                                                                                                                + +

                                                                                                                                                                                Removed

                                                                                                                                                                                +
                                                                                                                                                                                  +
                                                                                                                                                                                • SampleJet comment "def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. + The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. + defprov: Bruker website"^^string
                                                                                                                                                                                    • +
                                                                                                                                                                                  + + +

                                                                                                                                                                                  Added

                                                                                                                                                                                  +
                                                                                                                                                                                    +
                                                                                                                                                                                  • SampleJet comment "def: Bruker BioSpin introduces the SampleJet, a robot for NMR tube automation. The SampleJet has been consciously designed to meet the growing customer demand for simplicity, versatility and higher throughput in NMR sample tube automation. + The SampleJet utilizes the modern-day industry standard for sample arrangements—the 96 well plate array. Therefore, the samples may be handled by standard lab automation devices before or after the NMR measurement. + defprov: Bruker website"
                                                                                                                                                                                      • +
                                                                                                                                                                                    + +
                                                                                                                                                                                    + +
                                                                                                                                                                                    +

                                                                                                                                                                                    SampleRail - http://nmrML.org/nmrCV#NMR:1400207

                                                                                                                                                                                    + +

                                                                                                                                                                                    Removed

                                                                                                                                                                                    +
                                                                                                                                                                                      +
                                                                                                                                                                                    • SampleRail comment "def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. + The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back + defprov: website"^^string
                                                                                                                                                                                        • +
                                                                                                                                                                                      + + +

                                                                                                                                                                                      Added

                                                                                                                                                                                      +
                                                                                                                                                                                        +
                                                                                                                                                                                      • SampleRail comment "def: This system automatically prepares an NMR sample, inserts it into an NMR magnet, performs NMR experiments on the sample, and transports it back to the preparation system. + The SampleRail fulfills the transporting tasks from the preparation system into the NMR magnet and back + defprov: website"
                                                                                                                                                                                          • +
                                                                                                                                                                                        + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Siemens AG - http://nmrML.org/nmrCV#NMR:1000393

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Sodium hexafluoroarsenate - http://purl.obolibrary.org/obo/CHEBI_231507

                                                                                                                                                                                        + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Spinlock SRL - http://nmrML.org/nmrCV#NMR:1000389

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        TX - http://nmrML.org/nmrCV#NMR:1400317

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Thermo Fischer - http://nmrML.org/nmrCV#NMR:0003000

                                                                                                                                                                                        + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        ThermoFinnigan - http://nmrML.org/nmrCV#NMR:1400315

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        ThermoMattson - http://nmrML.org/nmrCV#NMR:1400306

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        ThermoNicolet - http://nmrML.org/nmrCV#NMR:1400312

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Varian - http://nmrML.org/nmrCV#NMR:1400257

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        + + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Varian NMR instrument - http://nmrML.org/nmrCV#NMR:1400234

                                                                                                                                                                                        + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Varian autosampler - http://nmrML.org/nmrCV#NMR:1000233

                                                                                                                                                                                        + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Varian magnet - http://nmrML.org/nmrCV#NMR:1000302

                                                                                                                                                                                        + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Varian probe - http://nmrML.org/nmrCV#NMR:1000235

                                                                                                                                                                                        + + +

                                                                                                                                                                                        Added

                                                                                                                                                                                        + + +
                                                                                                                                                                                        + +
                                                                                                                                                                                        +

                                                                                                                                                                                        Vendor2nmrML_Java - http://nmrML.org/nmrCV#NMR:1000301

                                                                                                                                                                                        + +

                                                                                                                                                                                        Removed

                                                                                                                                                                                        +
                                                                                                                                                                                          +
                                                                                                                                                                                        • Vendor2nmrML_Java definition "Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. +As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. + +The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. + +The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step."@en
                                                                                                                                                                                            • +
                                                                                                                                                                                          + + +

                                                                                                                                                                                          Added

                                                                                                                                                                                          +
                                                                                                                                                                                            +
                                                                                                                                                                                          • Vendor2nmrML_Java definition "Based on both nmrML.xsd (XML Schema Definition) and CV params (such as ontologies nmrCV, UO, CHEBI ...), a converter written in Java was developed that automatically generates nmrML files, from raw files of the major NMR vendors. The choice of Java was guided by i) the JAXB framework (Java Architecture for XML Binding), ii) its OS-platform independence and iii) strengthened by the existence of a useful java library (i.e [nmr-fid-tool](https://github.com/LuisFF/nmr-fid-tool)) for further processing and visualisation of the resulting nmrML data. +As nmrML intents to gather and integrate several types of data and corresponding metadata in a single file, it is necessary to process each data source separately. Thus, two command tools were developed. + +The first one, nmrMLcreate allows to create a new nmrML file, based on available Bruker or Varian/Agilent raw files. + +The second one, nmrMLproc allows to add and fill in additional sections corresponding to the data processing step."@en
                                                                                                                                                                                              • +
                                                                                                                                                                                            + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            Waters - http://nmrML.org/nmrCV#NMR:1400311

                                                                                                                                                                                            + +

                                                                                                                                                                                            Removed

                                                                                                                                                                                            + + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            Wilmad - http://nmrML.org/nmrCV#NMR:1400265

                                                                                                                                                                                            + +

                                                                                                                                                                                            Removed

                                                                                                                                                                                            + + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            Wilmad tube - http://nmrML.org/nmrCV#NMR:1000278

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            Zirconocene dichloride - http://purl.obolibrary.org/obo/CHEBI_231508

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            acdlabs - http://nmrML.org/nmrCV#NMR:1400322

                                                                                                                                                                                            + +

                                                                                                                                                                                            Removed

                                                                                                                                                                                            + + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            acetic acid-d4 - http://purl.obolibrary.org/obo/CHEBI_193049

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            acetone d6 - http://purl.obolibrary.org/obo/CHEBI_78217

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            acetonitrile-d3 - http://purl.obolibrary.org/obo/CHEBI_193038

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            acquisition nucleus - http://nmrML.org/nmrCV#NMR:1400083

                                                                                                                                                                                            + +

                                                                                                                                                                                            Removed

                                                                                                                                                                                            + + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            ammonia - http://purl.obolibrary.org/obo/CHEBI_16134

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            antimony pentafluoride - http://purl.obolibrary.org/obo/CHEBI_193146

                                                                                                                                                                                            + + +

                                                                                                                                                                                            Added

                                                                                                                                                                                            + + +
                                                                                                                                                                                            + +
                                                                                                                                                                                            +

                                                                                                                                                                                            apodization - http://nmrML.org/nmrCV#NMR:1000021

                                                                                                                                                                                            + +

                                                                                                                                                                                            Removed

                                                                                                                                                                                            +
                                                                                                                                                                                              +
                                                                                                                                                                                            • apodization definition "Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. +Apodization is usually performed by applying a window function to the FID"
                                                                                                                                                                                                • +
                                                                                                                                                                                              + + +

                                                                                                                                                                                              Added

                                                                                                                                                                                              +
                                                                                                                                                                                                +
                                                                                                                                                                                              • apodization definition "Apodization is an umbrella term that is used to refer to signal processing covering the manipulation of the FID to either increase signal-to-noise (S/N) or resolution. it is usually possible to gain either S/N or resolution, but not both. +Apodization is usually performed by applying a window function to the FID"
                                                                                                                                                                                                  • +
                                                                                                                                                                                                + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                application - http://purl.obolibrary.org/obo/CHEBI_33232

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                atom - http://purl.obolibrary.org/obo/CHEBI_33250

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                atomic nucleus - http://purl.obolibrary.org/obo/CHEBI_33252

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                audience - http://usefulinc.com/ns/doap#audience

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                barium chloride - http://purl.obolibrary.org/obo/CHEBI_63317

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                benzene-d6 - http://purl.obolibrary.org/obo/CHEBI_193039

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                beryllium sulfate - http://purl.obolibrary.org/obo/CHEBI_53473

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                bromine pentafluoride - http://purl.obolibrary.org/obo/CHEBI_193148

                                                                                                                                                                                                + + +

                                                                                                                                                                                                Added

                                                                                                                                                                                                + + +
                                                                                                                                                                                                + +
                                                                                                                                                                                                +

                                                                                                                                                                                                bucketing - http://nmrML.org/nmrCV#NMR:1400138

                                                                                                                                                                                                + +

                                                                                                                                                                                                Removed

                                                                                                                                                                                                +
                                                                                                                                                                                                  +
                                                                                                                                                                                                • bucketing comment "def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. + altdef: A type of automated integration which occurs across pre-defined regions for a spectrum."^^string
                                                                                                                                                                                                    • +
                                                                                                                                                                                                  + + +

                                                                                                                                                                                                  Added

                                                                                                                                                                                                  +
                                                                                                                                                                                                    +
                                                                                                                                                                                                  • bucketing comment "def: A post-processing method that divides a pre-processed NMR spectrum into a series of buckets (or bins) along the x-axis, and then integrates the spectral intensity within each bucket. + altdef: A type of automated integration which occurs across pre-defined regions for a spectrum."
                                                                                                                                                                                                      • +
                                                                                                                                                                                                    + +
                                                                                                                                                                                                    + +
                                                                                                                                                                                                    +

                                                                                                                                                                                                    caesium nitrate - http://purl.obolibrary.org/obo/CHEBI_231514

                                                                                                                                                                                                    + + +

                                                                                                                                                                                                    Added

                                                                                                                                                                                                    + + +
                                                                                                                                                                                                    + +
                                                                                                                                                                                                    +

                                                                                                                                                                                                    calcium dichloride - http://purl.obolibrary.org/obo/CHEBI_3312

                                                                                                                                                                                                    + + +

                                                                                                                                                                                                    Added

                                                                                                                                                                                                    + + +
                                                                                                                                                                                                    + +
                                                                                                                                                                                                    +

                                                                                                                                                                                                    calibration compound - http://nmrML.org/nmrCV#NMR:1400032

                                                                                                                                                                                                    + +

                                                                                                                                                                                                    Removed

                                                                                                                                                                                                    + + + +

                                                                                                                                                                                                    Added

                                                                                                                                                                                                    + + +
                                                                                                                                                                                                    + +
                                                                                                                                                                                                    +

                                                                                                                                                                                                    cardinal part of NMR instrument - http://nmrML.org/nmrCV#NMR:1400011

                                                                                                                                                                                                    + +

                                                                                                                                                                                                    Removed

                                                                                                                                                                                                    + + + +

                                                                                                                                                                                                    Added

                                                                                                                                                                                                    + + +
                                                                                                                                                                                                    + +
                                                                                                                                                                                                    +

                                                                                                                                                                                                    carr purcell meiboom gill pulse sequence - http://nmrML.org/nmrCV#NMR:1400167

                                                                                                                                                                                                    + +

                                                                                                                                                                                                    Removed

                                                                                                                                                                                                    +
                                                                                                                                                                                                      +
                                                                                                                                                                                                    • carr purcell meiboom gill pulse sequence comment "tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. + defprov: Daniel Schober + synonym: 1D CPMG"^^string
                                                                                                                                                                                                        • +
                                                                                                                                                                                                      + + +

                                                                                                                                                                                                      Added

                                                                                                                                                                                                      +
                                                                                                                                                                                                        +
                                                                                                                                                                                                      • carr purcell meiboom gill pulse sequence comment "tempdef: A modification of Carr-Purcell RF pulse sequence with 90° phase shift in the rotating frame of reference between the 90° pulse and the subsequent 180° pulses to reduce accumulating effects of imperfections in the 180° pulses. Suppression of effects of pulse error accumulation can alternatively be achieved by alternating phases of the 180° pulses by 180°. + defprov: Daniel Schober + synonym: 1D CPMG"
                                                                                                                                                                                                          • +
                                                                                                                                                                                                        + +
                                                                                                                                                                                                        + +
                                                                                                                                                                                                        +

                                                                                                                                                                                                        characterized compound - http://nmrML.org/nmrCV#NMR:0002001

                                                                                                                                                                                                        + + +

                                                                                                                                                                                                        Added

                                                                                                                                                                                                        + + +
                                                                                                                                                                                                        + +
                                                                                                                                                                                                        +

                                                                                                                                                                                                        chemical role - http://purl.obolibrary.org/obo/CHEBI_51086

                                                                                                                                                                                                        + + +

                                                                                                                                                                                                        Added

                                                                                                                                                                                                        + + +
                                                                                                                                                                                                        + +
                                                                                                                                                                                                        +

                                                                                                                                                                                                        chemical shift calibration compound - http://nmrML.org/nmrCV#NMR:0002003

                                                                                                                                                                                                        + + +

                                                                                                                                                                                                        Added

                                                                                                                                                                                                        + + +
                                                                                                                                                                                                        + +
                                                                                                                                                                                                        +

                                                                                                                                                                                                        chemical shift reference compound - http://nmrML.org/nmrCV#NMR:1400033

                                                                                                                                                                                                        + +

                                                                                                                                                                                                        Removed

                                                                                                                                                                                                        +
                                                                                                                                                                                                          +
                                                                                                                                                                                                        • chemical shift reference compound comment "def: A compound that is added to an NMR sample to enable the alignment of spectra. The power of NMR is that for most nuclei the NMR frequency changes very slightly with different molecular environment or chemical bonding. These shifts are very small, on the order of 1 part in 10+9. This is referred to as "Chemical Shift." Tables of chemical shifts are tabulated and used to determine molecular structure. Combining NMR chemical shift information with other NMR information such as peak integration, coupling constants and Nuclear Overhauser Enhancement (NOE) can result in complete three-dimensional molecular structures of molecules in solution without using X-ray crystallography."^^string
                                                                                                                                                                                                            • +
                                                                                                                                                                                                          • chemical shift reference compound label "chemical shift standard"^^string
                                                                                                                                                                                                              • +
                                                                                                                                                                                                            • chemical shift reference compound has_exact_synonym "chemical shift reference compound"
                                                                                                                                                                                                                • +
                                                                                                                                                                                                              • chemical shift reference compound SubClassOf calibration compound
                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                + + +

                                                                                                                                                                                                                Added

                                                                                                                                                                                                                + + +
                                                                                                                                                                                                                + +
                                                                                                                                                                                                                +

                                                                                                                                                                                                                chemical substance - http://purl.obolibrary.org/obo/CHEBI_59999

                                                                                                                                                                                                                + + +

                                                                                                                                                                                                                Added

                                                                                                                                                                                                                + + +
                                                                                                                                                                                                                + +
                                                                                                                                                                                                                +

                                                                                                                                                                                                                coherence pathway rejection - http://nmrML.org/nmrCV#NMR:1400146

                                                                                                                                                                                                                + +

                                                                                                                                                                                                                Removed

                                                                                                                                                                                                                +
                                                                                                                                                                                                                  +
                                                                                                                                                                                                                • coherence pathway rejection comment "tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not "refocused" by the refocus gradient (therefore, is not selected). + defprov: Daniel Schober"^^string
                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                  + + +

                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                  +
                                                                                                                                                                                                                    +
                                                                                                                                                                                                                  • coherence pathway rejection comment "tempdef: A water suppression method which is used to suppress the natural water signal in a gradient selection experiment (e.g. echo/antiecho), where the water coherence is not "refocused" by the refocus gradient (therefore, is not selected). + defprov: Daniel Schober"
                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                    +

                                                                                                                                                                                                                    comment - http://www.w3.org/2000/01/rdf-schema#comment

                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                    + + + +
                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                    +

                                                                                                                                                                                                                    concentration calibration compound - http://nmrML.org/nmrCV#NMR:1000167

                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                    + + + +

                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                    +

                                                                                                                                                                                                                    continuous wave NMR instrument - http://nmrML.org/nmrCV#NMR:1400283

                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                    + + + +

                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                    +

                                                                                                                                                                                                                    created_by - http://www.geneontology.org/formats/oboInOwl#created_by

                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                    +

                                                                                                                                                                                                                    data encoding - http://nmrML.org/nmrCV#NMR:1400048

                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                    +
                                                                                                                                                                                                                      +
                                                                                                                                                                                                                    • data encoding comment "tempdef: A data processing which alteres a data file for a specific purpose. + defprov: Daniel Schober"^^string
                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                      +
                                                                                                                                                                                                                        +
                                                                                                                                                                                                                      • data encoding comment "tempdef: A data processing which alteres a data file for a specific purpose. + defprov: Daniel Schober"
                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                        +

                                                                                                                                                                                                                        database_cross_reference - http://www.geneontology.org/formats/oboInOwl#hasDbXref

                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                        + + + +
                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                        +

                                                                                                                                                                                                                        date - http://purl.org/dc/terms/date

                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                        +
                                                                                                                                                                                                                          +
                                                                                                                                                                                                                        • AnnotationProperty: date
                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          definition - http://purl.obolibrary.org/obo/IAO_0000115

                                                                                                                                                                                                                          + +

                                                                                                                                                                                                                          Removed

                                                                                                                                                                                                                          + + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          description - http://purl.org/dc/terms/description

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          deuterated chloroform - http://purl.obolibrary.org/obo/CHEBI_85365

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dichloromethane-d2 - http://purl.obolibrary.org/obo/CHEBI_193042

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dideuterium oxide - http://purl.obolibrary.org/obo/CHEBI_41981

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          diffusion edited pulse sequence - http://nmrML.org/nmrCV#NMR:1400172

                                                                                                                                                                                                                          + +

                                                                                                                                                                                                                          Removed

                                                                                                                                                                                                                          + + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dimethyl ether-d6 - http://purl.obolibrary.org/obo/CHEBI_193135

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dimethyl sulfoxide-d6 - http://purl.obolibrary.org/obo/CHEBI_193041

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dimethyl telluride - http://purl.obolibrary.org/obo/CHEBI_4613

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dimethylcadmium - http://purl.obolibrary.org/obo/CHEBI_229455

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dimethylmercury - http://purl.obolibrary.org/obo/CHEBI_30786

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dimethylselenide - http://purl.obolibrary.org/obo/CHEBI_4610

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          documenter - http://usefulinc.com/ns/doap#documenter

                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                          +

                                                                                                                                                                                                                          dwell time - http://nmrML.org/nmrCV#NMR:1400023

                                                                                                                                                                                                                          + +

                                                                                                                                                                                                                          Removed

                                                                                                                                                                                                                          + + + +

                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                          +
                                                                                                                                                                                                                            +
                                                                                                                                                                                                                          • dwell time comment "def: A digital sampling interval. + alsprcls: time interval"
                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                            +

                                                                                                                                                                                                                            dynamic nuclear polarization NMR instrument - http://nmrML.org/nmrCV#NMR:1000222

                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                            + + + +

                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                            +

                                                                                                                                                                                                                            entity - http://nmrML.org/nmrCV#BFO_0000001

                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                            + + + +
                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                            +

                                                                                                                                                                                                                            ethanol-d6 - http://purl.obolibrary.org/obo/CHEBI_193043

                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                            +

                                                                                                                                                                                                                            exponential multiplication window function - http://nmrML.org/nmrCV#NMR:1400069

                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                            + + + +

                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                            +

                                                                                                                                                                                                                            exponentially damped J-modulation window function - http://nmrML.org/nmrCV#NMR:1000307

                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                            +
                                                                                                                                                                                                                              +
                                                                                                                                                                                                                            • exponentially damped J-modulation window function comment "Functional form: + jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) + Parameters: + * data Array of spectral data. + * e Exponential term. + * off Start of modulation in fraction of pi radians. + * end End of modulation in fraction of pi radians. + * inv Set True for inverse apodization"
                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                +
                                                                                                                                                                                                                              • exponentially damped J-modulation window function comment "Functional form: + jmod(x_i) = exp(-e)*sin( pi*off + pi*(end-off)*i/(size-1)) + Parameters: + * data Array of spectral data. + * e Exponential term. + * off Start of modulation in fraction of pi radians. + * end End of modulation in fraction of pi radians. + * inv Set True for inverse apodization"
                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                +

                                                                                                                                                                                                                                flow high resolution probe - http://nmrML.org/nmrCV#NMR:1400195

                                                                                                                                                                                                                                + +

                                                                                                                                                                                                                                Removed

                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                • flow high resolution probe comment "def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. + defprov: Bruker website + synonym: flow HR-probe"^^string
                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                  + + +

                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                  • flow high resolution probe comment "def: Hyphenated analytical techniques combining mass spectrometry and chromatography are well-established laboratory tools. The combination of chromatography and NMR has also made its way into the analytical laboratory. Further developments even combine all three techniques into an LC-NMR/NMR-MS system. The use of solid phase extraction provides an efficient interface between chromatography and NMR with demands for special type of flow probes. + defprov: Bruker website + synonym: flow HR-probe"
                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                    fluorosulfonic acid - http://purl.obolibrary.org/obo/CHEBI_193136

                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                    formic acid-d2 - http://purl.obolibrary.org/obo/CHEBI_193132

                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                    fourier transformation NMR instrument - http://nmrML.org/nmrCV#NMR:1400284

                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                    + + + +

                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                    • fourier transformation NMR instrument comment "In FT-NMR, all frequencies in a spectrum are irradiated simultaneously with a radio frequency pulse. Following the pulse, the nuclei return to thermal equilibrium. A time domain emission signal is recorded by the instrument as the nuclei relax. A frequency domain spectrum is obtained by Fourier transformation. + Defprov: http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/nmr3.htm"
                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                      • fourier transformation NMR instrument SubClassOf NMR instrument
                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                        gallium nitrate - http://purl.obolibrary.org/obo/CHEBI_231505

                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                        generically dependent continuant - http://purl.obolibrary.org/obo/BFO_0000031

                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                        + + + +
                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                        hadamard total correlation spectroscopy pulse sequence - http://nmrML.org/nmrCV#NMR:1400171

                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                        hankel singular value decomposition - http://nmrML.org/nmrCV#NMR:1400109

                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                        • hankel singular value decomposition comment "def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. + synonym: HSVD"^^string
                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                          • hankel singular value decomposition comment "def: This Method removes the residual water and its side lobes, thereby reducing the baseline for the metabolites of interest and allowing subsequent data analysis using more sophisticated nonlinear least squares algorithms. + synonym: HSVD"
                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                            has_exact_synonym - http://www.geneontology.org/formats/oboInOwl#hasExactSynonym

                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                            + + + +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                            has_obo_format_version - http://www.geneontology.org/formats/oboInOwl#hasOBOFormatVersion

                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                            + + + +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                            has_obo_namespace - http://www.geneontology.org/formats/oboInOwl#hasOBONamespace

                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                            + + + +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                            helium(0) - http://purl.obolibrary.org/obo/CHEBI_33681

                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                            hexafluorobenzene - http://purl.obolibrary.org/obo/CHEBI_38589

                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                            high resolution magic angle spin probe - http://nmrML.org/nmrCV#NMR:1400192

                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                            • high resolution magic angle spin probe comment "def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. + defprov: Bruker website + altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. + synonyms: High resolution MAS, hr-MAS"^^string
                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                              • high resolution magic angle spin probe comment "def: Samples that are neither solid nor liquid, being of biological, chemical, and/or pharmaceutical interest, reveal highly resolved spectra when magic angle spinning is applied. The correct solution is a gradient, such that the field varies along the spinner axis. This so-called Magic Angle Gradient is employed in Bruker’s high resolution Magic Angle Spinning (hr-MAS) probes, and is implemented in such a way that it is compatible with the stator and does not interfere with the sample eject/insert. Bruker BioSpin has developed a series of dedicated probes for standard bore magnets to accommodate the rapidly expanding field of hr-MAS. These probes are available in double (e.g. 1H and 13C) and triple resonance (e.g., 1H, 13C, 15N) modes and come equipped with a deuterium lock channel. The probes have automatic sample ejection and insertion capability, with the availability of an optional sample changer, enabling fully automated sample runs. Probes can be equipped with an optional B0 gradient, directed along the magic angle, so that gradient spectroscopy can be done used. + defprov: Bruker website + altdef: High resolution MAS (hr-MAS) provides an easy means of obtaining high resolution spectra for a variety of samples that would otherwise result in poorly resolved spectra. The addition of an hr-MAS probe and a MAS pneumatic unit to a standard high resolution spectrometer is all that is needed to open the gate to the world of hr-MAS spectroscopy and gain access to a vast amount of highly interesting samples. + synonyms: High resolution MAS, hr-MAS"
                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                +

                                                                                                                                                                                                                                                high resolution probe - http://nmrML.org/nmrCV#NMR:1400223

                                                                                                                                                                                                                                                + +

                                                                                                                                                                                                                                                Removed

                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                • high resolution probe comment "def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. + defprov: Bruker website + synonym: HR Probe"^^string
                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                  + + +

                                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                  • high resolution probe comment "def:BRUKER BIOSPIN's experienced Research & Development group not only delivers top-performance probes for the more common experiments, but also a wealth of special probes for almost any application. For high resolution (HR) NMR we offer probes with a variety of important characteristics and features. + defprov: Bruker website + synonym: HR Probe"
                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                    high resolution probe with ATM - http://nmrML.org/nmrCV#NMR:1400224

                                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                    • high resolution probe with ATM comment "def: The ATM option for AVANCE spectrometers is available for: + Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. + defprov: Bruker website + synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM"^^string
                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                      • high resolution probe with ATM comment "def: The ATM option for AVANCE spectrometers is available for: + Double resonance probes in fixed-frequency and broadband tunable configurations with either direct or indirect detection. Thus, for multinuclear operation, as often required for applications in inorganic chemistry, ATM facilitates the accurate setting of 90° pulsewidths on both observe and decoupling channels for each chosen nucleus and each individual sample - even with full automation. Triple resonance probes in fixed-frequency configurations, as typically used for inverse detection with high-field systems. + defprov: Bruker website + synonym: High Resolution Probes with Automatic Tuning and Matching, HR probe with ATM"
                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        identifier - http://purl.org/dc/terms/identifier

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        implements - http://usefulinc.com/ns/doap#implements

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        indium(III) nitrate - http://purl.obolibrary.org/obo/CHEBI_231512

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        is_inferred - http://www.geneontology.org/formats/oboInOwl#is_inferred

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        krypton atom - http://purl.obolibrary.org/obo/CHEBI_49696

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        lanthanum trichloride - http://purl.obolibrary.org/obo/CHEBI_231515

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        license - http://purl.org/dc/terms/license

                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                        line broadening - http://nmrML.org/nmrCV#NMR:1400097

                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                        • line broadening definition source "http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin"
                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                          • line broadening definition "line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. +When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. +The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. +Line broadening may be caused by: +Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities."
                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                            • line broadening definition "line broadening is a process resulting in spectral peak signal becoming hard to interpret and analysed. Line broadening is affected by spin-spin relaxation and/or spin-lattice relaxation processes. +When relaxation is very fast, NMR lines are broad, J-coupling may not be resolved or the signal may even be difficult or impossible to detect. +The maximum repetition rate during acquisition of an NMR signal is governed by T1 - short T1 means the magnetization recovers more rapidly, and a spectrum can be acquired in less time. +Line broadening may be caused by: +Sample inhomogeneity (poor mixing. solid particles), Temperature gradients across sample, Paramagnetic impurities."
                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                              • line broadening definition source "http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin"
                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                                +

                                                                                                                                                                                                                                                                line sharpening - http://nmrML.org/nmrCV#NMR:1400098

                                                                                                                                                                                                                                                                + +

                                                                                                                                                                                                                                                                Removed

                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                • line sharpening definition source "http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin"
                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                  • line sharpening definition "line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. +Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering."
                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                    • line sharpening definition "line sharpening is a data transformation process inverse to that of line broadening, which aims to improve the quality of the signal being acquired and being analyzed in order to obtain clear, sharp peaks, in turn making interpretation easier. +Line sharpening can be optimized during data acquisition or performed during data analysis by applied digital processing and filtering."
                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                      • line sharpening definition source "http://www.chem.wisc.edu/areas/reich/nmr/08-tech-01-relax.htm. + +Hans J. Reich 2015, University of Wisconsin"
                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        liquid chromatography NMR instrument - http://nmrML.org/nmrCV#NMR:1400276

                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        lithium chloride - http://purl.obolibrary.org/obo/CHEBI_48607

                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        location - http://usefulinc.com/ns/doap#location

                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        magic angle spinning rotor - http://nmrML.org/nmrCV#NMR:1400130

                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        mailing-list - http://usefulinc.com/ns/doap#mailing-list

                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        maintainer - http://usefulinc.com/ns/doap#maintainer

                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        methanol-d1 - http://purl.obolibrary.org/obo/CHEBI_193133

                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        methanol-d4 - http://purl.obolibrary.org/obo/CHEBI_156265

                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        micromass - http://nmrML.org/nmrCV#NMR:1400310

                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                        modified Gaussian window function - http://nmrML.org/nmrCV#NMR:1000306

                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                        • modified Gaussian window function comment "Functional form: + gmb(x_i) = exp(-a*i - b*i*i) + Parameters: + * data Array of spectral data. + * a Exponential term. + * b Gaussian term. + * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                          • modified Gaussian window function comment "Functional form: + gmb(x_i) = exp(-a*i - b*i*i) + Parameters: + * data Array of spectral data. + * a Exponential term. + * b Gaussian term. + * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                            molecular entity - http://purl.obolibrary.org/obo/CHEBI_23367

                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                            neon atom - http://purl.obolibrary.org/obo/CHEBI_33310

                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                            nitrobenzene-d5 - http://purl.obolibrary.org/obo/CHEBI_193044

                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                            nitromethane - http://purl.obolibrary.org/obo/CHEBI_77701

                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                            nitromethane-d3 - http://purl.obolibrary.org/obo/CHEBI_193045

                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                            normalisation - http://nmrML.org/nmrCV#NMR:1400064

                                                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                            • normalisation definition source "http://pubs.acs.org/doi/pdf/10.1021/ac0519312 + +10.1021/ac0519312 + +Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets + +Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * +Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K."
                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                              • normalisation definition "normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. +This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples."
                                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                                + + +

                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                • normalisation definition source "http://pubs.acs.org/doi/pdf/10.1021/ac0519312 + +10.1021/ac0519312 + +Scaling and Normalization Effects in NMR Spectroscopic Metabonomic Data Sets + +Andrew Craig , Olivier Cloarec , Elaine Holmes , Jeremy K. Nicholson , and John C. Lindon * +Biological Chemistry, Faculty of Natural Sciences, Imperial College London, Sir Alexander Fleming Building, South Kensington, London SW7 2AZ U.K."
                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                  • normalisation definition "normalization is a data transformation process which aims at making data seem roughly normally distributied by applying a mathematical function, which is most of time a continuous function. +This is a row operation that is applied to the data from each sample and comprises methods to make the data from all samples directly comparable with each other. A common use is to remove or minimize the effects of variable dilution of the samples."
                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                    nuclear overhauser and exchange spectroscopy-presat - http://nmrML.org/nmrCV#NMR:1400142

                                                                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                    • nuclear overhauser and exchange spectroscopy-presat comment "tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. + defprov: Daniel Schober + synonym: NOESY-presat"^^string
                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                      • nuclear overhauser and exchange spectroscopy-presat comment "tempdef: The presat for an nuclear overhauser and exchange spectroscopy experiment. A 2D method used to map NOE correlations between protons within a molecule. The nuclear Overhauser effect (NOE) causes changes in peak areas, as a secondary effect of decoupling. + defprov: Daniel Schober + synonym: NOESY-presat"
                                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        object - http://purl.obolibrary.org/obo/BFO_0000030

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_1,4-Dioxane - http://nmrML.org/nmrCV#NMR:1000025

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_1,4-morpholine - http://nmrML.org/nmrCV#NMR:1000039

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_2,2-Dimethyl-2-silapentane-5-sulfonate - http://nmrML.org/nmrCV#NMR:1000027

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_Chloroform-d - http://nmrML.org/nmrCV#NMR:1000017

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_Chloroform-d1 - http://nmrML.org/nmrCV#NMR:1000033

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_Hexafluorobenzene - http://nmrML.org/nmrCV#NMR:1000016

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_JNM-ECX Series FT NMR instrument - http://nmrML.org/nmrCV#NMR:1000368

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_NMR instrument type - http://nmrML.org/nmrCV#NMR:1000012

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_Trimethylsilyl propionate - http://nmrML.org/nmrCV#NMR:1000159

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_acetonitrile - http://nmrML.org/nmrCV#NMR:1000024

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_ammonia (liquid) - http://nmrML.org/nmrCV#NMR:1000037

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_ammonium bromide - http://nmrML.org/nmrCV#NMR:1000038

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_chemical compound - http://nmrML.org/nmrCV#NMR:1000881

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_heavy water - http://nmrML.org/nmrCV#NMR:1000018

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_instrument - http://nmrML.org/nmrCV#NMR:1000463

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_molecule - http://nmrML.org/nmrCV#NMR:1000859

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_nitromethane - http://nmrML.org/nmrCV#NMR:1000040

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_peptide - http://nmrML.org/nmrCV#NMR:1000860

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_phosphoric acid - http://nmrML.org/nmrCV#NMR:1000059

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_phosphorus - http://nmrML.org/nmrCV#NMR:1000060

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_protein - http://nmrML.org/nmrCV#NMR:1000882

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_pyridine - http://nmrML.org/nmrCV#NMR:1000041

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_sodium acetate - http://nmrML.org/nmrCV#NMR:1000028

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_sodium nitrate - http://nmrML.org/nmrCV#NMR:1000042

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_sodium trimethylsilyl-propionate - http://nmrML.org/nmrCV#NMR:1000077

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_tetramethylammonium bromide - http://nmrML.org/nmrCV#NMR:1000035

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_tetramethylsilane - http://nmrML.org/nmrCV#NMR:1000029

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_trimethyl phosphate - http://nmrML.org/nmrCV#NMR:1000061

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_triphenylphosphine - http://nmrML.org/nmrCV#NMR:1000062

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        obsolete_triphenylphosphine oxide - http://nmrML.org/nmrCV#NMR:1000063

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        optional part of NMR instrument - http://nmrML.org/nmrCV#NMR:1400001

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        osmium tetroxide - http://purl.obolibrary.org/obo/CHEBI_88215

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        oxolane-d8 - http://purl.obolibrary.org/obo/CHEBI_193047

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        pentacarbonyliron - http://purl.obolibrary.org/obo/CHEBI_30251

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        phosphoric acid - http://purl.obolibrary.org/obo/CHEBI_26078

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        post-acquisition water suppression - http://nmrML.org/nmrCV#NMR:1400108

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        + + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        potassium chloride - http://purl.obolibrary.org/obo/CHEBI_32588

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        potassium chromate - http://purl.obolibrary.org/obo/CHEBI_75249

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        potassium iodide - http://purl.obolibrary.org/obo/CHEBI_8346

                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                        pre-acquisition water suppression - http://nmrML.org/nmrCV#NMR:1400066

                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                        • pre-acquisition water suppression comment "tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. + defprov: Daniel Schober"^^string
                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                          • pre-acquisition water suppression comment "tempdef: A technique used to suppress the water resonance peak in a spectrum. Suppression of the strong solvent signal is necessary in order to obtain high signal to noise for the peaks of the sample under investiogation, e.g. protein peaks. + defprov: Daniel Schober"
                                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                                            presat pulse sequence - http://nmrML.org/nmrCV#NMR:1400140

                                                                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                                                                            + + + +

                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                                            process - http://purl.obolibrary.org/obo/BFO_0000015

                                                                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                                                                            + + + +
                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                                            projected spectrum - http://nmrML.org/nmrCV#NMR:1400008

                                                                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                            • projected spectrum comment "tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. + defprov: Daniel Schober"^^string
                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                              • projected spectrum comment "tempdef: The data matrix a spectrum consists of can be projected from a higher dimension onto a lower dimension, e.g. a 3D NMR spectrum can be converted (projected) into a 2D NMR spectrum. + defprov: Daniel Schober"
                                                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                                                                +

                                                                                                                                                                                                                                                                                                pyridine-d5 - http://purl.obolibrary.org/obo/CHEBI_193046

                                                                                                                                                                                                                                                                                                + + +

                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                + + +
                                                                                                                                                                                                                                                                                                + +
                                                                                                                                                                                                                                                                                                +

                                                                                                                                                                                                                                                                                                quadrature detection - http://nmrML.org/nmrCV#NMR:1000008

                                                                                                                                                                                                                                                                                                + +

                                                                                                                                                                                                                                                                                                Removed

                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                                • quadrature detection comment "One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible +to determine if the frequency is positive or negative. The instrument uses a spectrometer +frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule +produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency +is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency +signals are very easy frequency to detect, transmit, amplify and sample. +The complication with this rotating frame of reference is that a single detector can not distinguish positive and +negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels +separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these +two channels, it is possible to distinguish positive and negative frequencies. This section shows how the +quadrature signal is processed to obtain an NMR spectrum. +The Fourier transform produces a complex number with a real and an imaginary component. The Re function +extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number."
                                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                                  + + +

                                                                                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                  • quadrature detection comment "One of the problems that should be apparent after observing the spectrum and the FID is that it is not possible +to determine if the frequency is positive or negative. The instrument uses a spectrometer +frequency and all signal frequencies are measured relative to the spectrometer frequency. If a molecule +produces two signals, one at 300,000,001 Hz and another at 299,999,999 Hz, and the spectrometer frequency +is 300,000,000 Hz, the first signal is at +1 Hz and the second is at -1 Hz. Electronically the lower frequency +signals are very easy frequency to detect, transmit, amplify and sample. +The complication with this rotating frame of reference is that a single detector can not distinguish positive and +negative frequencies. This problem is why quadrature detection is important. Quadrature detection uses two detector channels +separated by 90 degrees. These are referred to as the real channel and the imaginary channel. Using these +two channels, it is possible to distinguish positive and negative frequencies. This section shows how the +quadrature signal is processed to obtain an NMR spectrum. +The Fourier transform produces a complex number with a real and an imaginary component. The Re function +extracts the real spectrum and the Im function extracts the imaginary spectrum from the complex number."
                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    quality - http://purl.obolibrary.org/obo/BFO_0000019

                                                                                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                                                                                    + + + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    realizable entity - http://purl.obolibrary.org/obo/BFO_0000017

                                                                                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                                                                                    + + + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    rhodium acetylacetonate - http://purl.obolibrary.org/obo/CHEBI_229457

                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    rubidium chloride - http://purl.obolibrary.org/obo/CHEBI_78672

                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    sample - http://nmrML.org/nmrCV#NMR:1000457

                                                                                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                                                                                    + + + +

                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                    • sample definition "tempdef: A sample is a role that is played by an object of interest in an investigation used to obtain generalizable information about the sample source. + defprov: Daniel Schober"
                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    scandium nitrate - http://purl.obolibrary.org/obo/CHEBI_231498

                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                                                                                    + +
                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                    shifted sine bell window function - http://nmrML.org/nmrCV#NMR:1000308

                                                                                                                                                                                                                                                                                                    + +

                                                                                                                                                                                                                                                                                                    Removed

                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                    • shifted sine bell window function comment "Functional form: + sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow + Parameters: + * data Array of spectral data. + * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) + * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) + * pow Power of Sine-Bell + * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                                      • shifted sine bell window function comment "Functional form: + sp(x_i) = sin( (pi*off + pi*(end-off)*i/(size-1) )**pow + Parameters: + * data Array of spectral data. + * start Start of Sine-Bell as percent of vector (0.0 -> 1.0) + * end End of Sine-Bell as percent of vector (0.0 -> 1.0 ) + * pow Power of Sine-Bell + * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        silver(1+) nitrate - http://purl.obolibrary.org/obo/CHEBI_32130

                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        sodium bromide - http://purl.obolibrary.org/obo/CHEBI_63004

                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        sodium chloride - http://purl.obolibrary.org/obo/CHEBI_26710

                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        sodium hexachloroplatinate - http://purl.obolibrary.org/obo/CHEBI_59606

                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        sodium molybdate (anhydrous) - http://purl.obolibrary.org/obo/CHEBI_75215

                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        sodium tungstate - http://purl.obolibrary.org/obo/CHEBI_63940

                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                        + + +
                                                                                                                                                                                                                                                                                                        + +
                                                                                                                                                                                                                                                                                                        +

                                                                                                                                                                                                                                                                                                        solid magic angle spinning probe - http://nmrML.org/nmrCV#NMR:1400193

                                                                                                                                                                                                                                                                                                        + +

                                                                                                                                                                                                                                                                                                        Removed

                                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                                        • solid magic angle spinning probe comment "def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. + defprov: Bruker website + synonym: solid MAS probe"^^string
                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                                          • solid magic angle spinning probe comment "def: Magic angle spinning, nowadays a routine technique for solids NMR, still offers the capability of innovation. The high mechanical performance of MAS probes in conjunction with efficient rf pulse techniques open new exciting fields in solids NMR of biological samples and in the field of quadrupolar nuclei. + defprov: Bruker website + synonym: solid MAS probe"
                                                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                                                            solid phase extraction NMR instrument - http://nmrML.org/nmrCV#NMR:1400278

                                                                                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                                                                                            + + + +

                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                            + + +
                                                                                                                                                                                                                                                                                                            + +
                                                                                                                                                                                                                                                                                                            +

                                                                                                                                                                                                                                                                                                            source - http://purl.org/dc/elements/1.1/source

                                                                                                                                                                                                                                                                                                            + +

                                                                                                                                                                                                                                                                                                            Removed

                                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                            • AnnotationProperty: source
                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                              states-time proportional phase incrementation - http://nmrML.org/nmrCV#NMR:1400053

                                                                                                                                                                                                                                                                                                              + +

                                                                                                                                                                                                                                                                                                              Removed

                                                                                                                                                                                                                                                                                                              + + + +

                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                              strontium dichloride - http://purl.obolibrary.org/obo/CHEBI_36383

                                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                              summation projection - http://nmrML.org/nmrCV#NMR:1400077

                                                                                                                                                                                                                                                                                                              + +

                                                                                                                                                                                                                                                                                                              Removed

                                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                                              • summation projection comment "def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. + altdef: The adding of spectra together to produce a composite avergaed spectrum."^^string
                                                                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                                                                + + +

                                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                                                • summation projection comment "def: .A projection method that sums the intensities of a pre-processed 2D J-resolved NMR spectrum to obtain a projected spectrum. + altdef: The adding of spectra together to produce a composite avergaed spectrum."
                                                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                                                  + +
                                                                                                                                                                                                                                                                                                                  + +
                                                                                                                                                                                                                                                                                                                  +

                                                                                                                                                                                                                                                                                                                  tecmag - http://nmrML.org/nmrCV#NMR:1400260

                                                                                                                                                                                                                                                                                                                  + +

                                                                                                                                                                                                                                                                                                                  Removed

                                                                                                                                                                                                                                                                                                                  + + + +

                                                                                                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                                                                                                  + + +
                                                                                                                                                                                                                                                                                                                  + +
                                                                                                                                                                                                                                                                                                                  +

                                                                                                                                                                                                                                                                                                                  tecmag EAGLE probe - http://nmrML.org/nmrCV#NMR:1400248

                                                                                                                                                                                                                                                                                                                  + +

                                                                                                                                                                                                                                                                                                                  Removed

                                                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                                  • tecmag EAGLE probe comment "def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. + defprov: website"^^string
                                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                                    • tecmag EAGLE probe comment "def: The Eagle™ is a 4 mm 1H/X solid-state MAS probe with a top spinning speed of 18 kHz. Its simple design is robust, reliable and easy to spin. Configurations are available for 200 to 600 MHz widebore magnets on Tecmag, Bruker, Chemagnetics, JEOL and Varian spectrometers. + defprov: website"
                                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tecmag NMR instrument - http://nmrML.org/nmrCV#NMR:1400250

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tecmag console - http://nmrML.org/nmrCV#NMR:1400246

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tetracarbonylnickel - http://purl.obolibrary.org/obo/CHEBI_30372

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tetramethylgermane - http://purl.obolibrary.org/obo/CHEBI_231506

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tetramethyllead - http://purl.obolibrary.org/obo/CHEBI_30183

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tetramethylsilane - http://purl.obolibrary.org/obo/CHEBI_85361

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tetramethylsilane-d12 - http://purl.obolibrary.org/obo/CHEBI_231529

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      tetramethyltin - http://purl.obolibrary.org/obo/CHEBI_30420

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      thallium(III) nitrate - http://purl.obolibrary.org/obo/CHEBI_229458

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      time domain data processing - http://nmrML.org/nmrCV#NMR:1400041

                                                                                                                                                                                                                                                                                                                      + +

                                                                                                                                                                                                                                                                                                                      Removed

                                                                                                                                                                                                                                                                                                                      + + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      time proportional phase incrementation - http://nmrML.org/nmrCV#NMR:1400051

                                                                                                                                                                                                                                                                                                                      + +

                                                                                                                                                                                                                                                                                                                      Removed

                                                                                                                                                                                                                                                                                                                      + + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      titanium tetrachloride - http://purl.obolibrary.org/obo/CHEBI_231499

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      title - http://purl.org/dc/terms/title

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      toluene-d8 - http://purl.obolibrary.org/obo/CHEBI_193048

                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                      trapezoid window function - http://nmrML.org/nmrCV#NMR:1000104

                                                                                                                                                                                                                                                                                                                      + +

                                                                                                                                                                                                                                                                                                                      Removed

                                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                                                      • trapezoid window function comment "Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 + -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                                                        • trapezoid window function comment "Functional form ( 0:t1 linear increase from 0.0 to 1.0, t1:size-t2 1.0 + -t2: linear decrease from 1.0 to 0.0 / Parameters ( * data Array of spectral data., * t1 Left ramp length., * t2 Right ramp length., * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                                                                                                                          +

                                                                                                                                                                                                                                                                                                                          triangle window function - http://nmrML.org/nmrCV#NMR:1000309

                                                                                                                                                                                                                                                                                                                          + +

                                                                                                                                                                                                                                                                                                                          Removed

                                                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                                                          • triangle window function comment "Functional form: + 0:loc linear increase/decrease from lHi to 1.0 + loc: linear increase/decrease from 1.0 to rHi + + Parameters: + * data Array of spectral data. + * loc Location of apex, "auto" sets to middle. + * lHi Left side starting height. + * rHi Right side starting height. + * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                                            • triangle window function comment "Functional form: + 0:loc linear increase/decrease from lHi to 1.0 + loc: linear increase/decrease from 1.0 to rHi + + Parameters: + * data Array of spectral data. + * loc Location of apex, "auto" sets to middle. + * lHi Left side starting height. + * rHi Right side starting height. + * inv Set True for inverse apodization."
                                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                              trichlorofluoromethane - http://purl.obolibrary.org/obo/CHEBI_48236

                                                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                              trifluoroacetic acid-d1 - http://purl.obolibrary.org/obo/CHEBI_193050

                                                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                              trimethyl phosphate - http://purl.obolibrary.org/obo/CHEBI_46324

                                                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                              water suppression enhanced through T1 effects - http://nmrML.org/nmrCV#NMR:1400141

                                                                                                                                                                                                                                                                                                                              + +

                                                                                                                                                                                                                                                                                                                              Removed

                                                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                                                              • water suppression enhanced through T1 effects comment "tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. + defprov: Daniel Schober + synonym: WET"^^string
                                                                                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                                                                                + + +

                                                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                                                                • water suppression enhanced through T1 effects comment "tempdef: An improved water-suppression technique called WET (water suppression enhanced through T1 effects), developed from a Bloch equation analysis of the longitudinal magnetization over the T1 and B1 ranges of interest, achieves T1- and B1-insensitive suppression with four RF pulses, each having a numerically optimized flip angle. Once flip angles have been optimized for a given sequence, time-consuming flip-angle adjustments during clinical examinations are eliminated. + defprov: Daniel Schober + synonym: WET"
                                                                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                                                                  + +
                                                                                                                                                                                                                                                                                                                                  + +
                                                                                                                                                                                                                                                                                                                                  +

                                                                                                                                                                                                                                                                                                                                  x start value - http://nmrML.org/nmrCV#NMR:1400094

                                                                                                                                                                                                                                                                                                                                  + +

                                                                                                                                                                                                                                                                                                                                  Removed

                                                                                                                                                                                                                                                                                                                                  +
                                                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                                                  • x start value comment "def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The initial time or frequency a FID or spectrum is recorded from."^^string
                                                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                                                    • x start value comment "def: The starting value for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The initial time or frequency a FID or spectrum is recorded from."
                                                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                                      + +
                                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                                      x-axis unit - http://nmrML.org/nmrCV#NMR:1400091

                                                                                                                                                                                                                                                                                                                                      + +

                                                                                                                                                                                                                                                                                                                                      Removed

                                                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                                                                      • x-axis unit comment "def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum)."^^string
                                                                                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                                                                                        + + +

                                                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                                                        +
                                                                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                                                                        • x-axis unit comment "def: The units of measure for the x-axis of a (1D or 2D) FID, (1D or 2D) pre-processed spectrum, 2D projected spectrum, and (1D or 2D) post-processed spectrum. + altdef: The units used to represent either time domain (for a FID) or the frequency domain (for a spectrum)."
                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                                                                                                                                          +

                                                                                                                                                                                                                                                                                                                                          xenon oxytetrafluoride - http://purl.obolibrary.org/obo/CHEBI_229456

                                                                                                                                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                                                                                                                                          +

                                                                                                                                                                                                                                                                                                                                          yttrium nitrate - http://purl.obolibrary.org/obo/CHEBI_229454

                                                                                                                                                                                                                                                                                                                                          + + +

                                                                                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                                                                                          + + +
                                                                                                                                                                                                                                                                                                                                          + +
                                                                                                                                                                                                                                                                                                                                          +

                                                                                                                                                                                                                                                                                                                                          zero order phase correction - http://nmrML.org/nmrCV#NMR:1400079

                                                                                                                                                                                                                                                                                                                                          + +

                                                                                                                                                                                                                                                                                                                                          Removed

                                                                                                                                                                                                                                                                                                                                          +
                                                                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                                                                          • zero order phase correction comment "def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. + altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width."^^string
                                                                                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                                                                                            + + +

                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                            +
                                                                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                                                            • zero order phase correction comment "def: A parameter used to mix real and imaginary part of an NMR spectrum that the real part of the spectrum is in pure absorption mode. + altdef: The number of degrees that a central peak must be moved in order to achieve an absorptive mode line width."
                                                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                                              + +
                                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                                              zinc nitrate - http://purl.obolibrary.org/obo/CHEBI_231504

                                                                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                                                              + + \ No newline at end of file From e316741c263ff75e1941b801f9b1c0d2f3f2c2bc Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Mon, 17 Mar 2025 15:59:14 +0100 Subject: [PATCH 03/21] Add Noura's and my ranges --- src/ontology/nmrCV-idranges.owl | 15 +++++++++++---- 1 file changed, 11 insertions(+), 4 deletions(-) diff --git a/src/ontology/nmrCV-idranges.owl b/src/ontology/nmrCV-idranges.owl index af9eab8..adb74d3 100644 --- a/src/ontology/nmrCV-idranges.owl +++ b/src/ontology/nmrCV-idranges.owl @@ -33,19 +33,26 @@ AnnotationProperty: allocatedto: Datatype: idrange:1 Annotations: - allocatedto: "ONTOLOGY-CREATOR" + allocatedto: "https://orcid.org/0009-0001-5998-5030" EquivalentTo: - xsd:integer[>= 0 , <= 999999] + xsd:integer[>= 2000 , <= 2999] - Datatype: idrange:2 + Annotations: + allocatedto: "https://orcid.org/0000-0002-1595-3213" + + EquivalentTo: + xsd:integer[>= 3000 , <= 3999] + +Datatype: idrange:3 + Annotations: allocatedto: "ADDITIONAL EDITOR" EquivalentTo: - xsd:integer[>= 1000000 , <= 1999999] + xsd:integer[>= 2000000 , <= 2999999] Datatype: xsd:integer From 28cc42d4930ce6c92b70194dda47a0ae1fce3191 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Mon, 17 Mar 2025 15:59:47 +0100 Subject: [PATCH 04/21] Update ontology metadata --- src/ontology/nmrCV-edit.owl | 137 ++++++++++++++++++++++-------------- 1 file changed, 86 insertions(+), 51 deletions(-) diff --git a/src/ontology/nmrCV-edit.owl b/src/ontology/nmrCV-edit.owl index d276905..ccdd059 100644 --- a/src/ontology/nmrCV-edit.owl +++ b/src/ontology/nmrCV-edit.owl @@ -20,67 +20,39 @@ Import() Import() Import() Import() -Annotation(dce:contributor "Annick Moing") -Annotation(dce:contributor "Catherine Deborde") -Annotation(dce:contributor "Daniel Jacob") -Annotation(dce:contributor "Daniel Schober") Annotation(dce:contributor "Joseph Cruz") Annotation(dce:contributor "Michael Wilson") -Annotation(dce:contributor "Philippe Rocca-Serra") -Annotation(dce:contributor "Reza Salek") -Annotation(dce:contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. - -People involved in the term creation from ID >1400000 : - -This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): - -Daniel Schober (EBI) -Chris Taylor (EBI and HUPO-PSI) -Dennis Rubtsov (Un of Cambridge, UK) -Helen Jenkins (Un of Wales, Aberystwyth, UK) -Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) -Larissa Soldatova (University of Wales, Aberystwyth, UK) -Philippe Rocca-Serra (EBI and MGED Society) -Susanna-Assunta Sansone (EBI) - -People involved in the term creation from ID<1400000: - -Joseph Cruz -Daniel Schober -Michael Wilson -Reza Salek -Daniel Jacob -David Wishart - -Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. - -Other people that substantially helped in revising the latest and Cosmos governed CV additions were: - -Michael Wilson, Wishart Group, Edmonton, Alberta, Canada -Daniel Jacob, INRA, Bordeaux, France -Annick Moing, INRA, Bordeaux, France -Catherine Deborde, INRA, Bordeaux, France -Reza Salek, EBI, Hinxton, UK -Philippe Rocca-Serra, University of Oxford, Oxford, UK -Andrea Porzel, IPB-Halle, Germany -and the COSMOS WP2 team - -A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title -`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen") -Annotation(dce:contributor "Steffen Neumann") +Annotation(dce:contributor "Chris Taylor") +Annotation(dce:contributor "Dennis Rubtsov") +Annotation(dce:contributor "Helen Jenkins") +Annotation(dce:contributor "Irena Spasic") +Annotation(dce:contributor "Larissa Soldatova") Annotation(dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.") +Annotation(dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team") +Annotation(dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies.") +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:contributor ) +Annotation(dcterms:created "2025-03-17"^^xsd:date) Annotation(dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model.") Annotation(dcterms:license ) +Annotation(dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795") Annotation(dcterms:title "nuclear magnetic resonance CV") +Annotation( "NMR") Annotation(doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments.") -Annotation(doap:bug-database "https://github.com/nmrML/nmrML/issues") -Annotation(doap:documenter "Daniel Schober") +Annotation(doap:bug-database "https://github.com/nmrML/nmrCV/issues") Annotation(doap:implements "https://github.com/nmrML/nmrML") Annotation(doap:location "https://github.com/nmrML/nmrCV") -Annotation(doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join") -Annotation(doap:maintainer "https://www.wikidata.org/wiki/Q96678459") -Annotation(owl:deprecated "http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo") +Annotation(doap:maintainer ) +Annotation(owl:priorVersion ) Annotation(owl:versionInfo "2.0_alpha") Declaration(Class()) @@ -944,13 +916,28 @@ Declaration(NamedIndividual()) Declaration(NamedIndividual()) Declaration(NamedIndividual()) Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) Declaration(AnnotationProperty(obo:IAO_0000115)) Declaration(AnnotationProperty(dce:coverage)) +Declaration(AnnotationProperty(dcterms:abstract)) Declaration(AnnotationProperty(dcterms:date)) Declaration(AnnotationProperty(dcterms:description)) Declaration(AnnotationProperty(dcterms:identifier)) Declaration(AnnotationProperty(dcterms:license)) +Declaration(AnnotationProperty(dcterms:references)) Declaration(AnnotationProperty(dcterms:title)) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty(doap:audience)) Declaration(AnnotationProperty(doap:bug-database)) Declaration(AnnotationProperty(doap:documenter)) @@ -7575,6 +7562,54 @@ ClassAssertion(obo:OBI_0000245 ) AnnotationAssertion(rdfs:label "acdlabs") ClassAssertion(obo:OBI_0000245 ) +# Individual: (Susanna-Assunta Sansone) + +AnnotationAssertion(rdfs:label "Susanna-Assunta Sansone") + +# Individual: (Catherine Deborde) + +AnnotationAssertion(rdfs:label "Catherine Deborde") + +# Individual: (Reza Salek) + +AnnotationAssertion(rdfs:label "Reza Salek") + +# Individual: (Philippe Rocca-Serra) + +AnnotationAssertion(rdfs:label "Philippe Rocca-Serra") + +# Individual: (Philip Strömert) + +AnnotationAssertion(rdfs:label "Philip Strömert") + +# Individual: (David S Wishart) + +AnnotationAssertion(rdfs:label "David S Wishart") + +# Individual: (Daniel Jacob) + +AnnotationAssertion(rdfs:label "Daniel Jacob") + +# Individual: (Steffen Neumann) + +AnnotationAssertion(rdfs:label "Steffen Neumann") + +# Individual: (Andrea Porzel) + +AnnotationAssertion(rdfs:label "Andrea Porzel") + +# Individual: (Annick Moing) + +AnnotationAssertion(rdfs:label "Annick Moing") + +# Individual: (Noura Rayya) + +AnnotationAssertion(rdfs:label "Noura Rayya") + +# Individual: (NFDI4Chem) + +AnnotationAssertion(rdfs:label "NFDI4Chem") + SubClassOf(ObjectIntersectionOf(obo:CHEBI_23367 ObjectSomeValuesFrom(obo:RO_0000087 obo:CHEBI_228364)) ) ) \ No newline at end of file From c3d31e0a3d8859b08c79d6e97730870de438070e Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Mon, 17 Mar 2025 16:03:48 +0100 Subject: [PATCH 05/21] Use version IRI and file ending to point to previous version So we can store the old version like this on the nmrML site to be resolvable. --- src/ontology/nmrCV-edit.owl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/ontology/nmrCV-edit.owl b/src/ontology/nmrCV-edit.owl index ccdd059..04c9c8c 100644 --- a/src/ontology/nmrCV-edit.owl +++ b/src/ontology/nmrCV-edit.owl @@ -52,7 +52,7 @@ Annotation(doap:bug-database "https://github.com/nmrML/nmrCV/issues") Annotation(doap:implements "https://github.com/nmrML/nmrML") Annotation(doap:location "https://github.com/nmrML/nmrCV") Annotation(doap:maintainer ) -Annotation(owl:priorVersion ) +Annotation(owl:priorVersion ) Annotation(owl:versionInfo "2.0_alpha") Declaration(Class()) From 520cc3775ad9f499525e7b744ee318f9370fd1ad Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Mon, 17 Mar 2025 16:45:28 +0100 Subject: [PATCH 06/21] Check in regenerated release files --- nmrCV-base.obo | 39 ++-- nmrCV-base.owl | 140 +++++++------ nmrCV-base.ttl | 121 ++++++----- nmrCV-full.obo | 46 ++-- nmrCV-full.owl | 289 +++++++++++++++++--------- nmrCV-full.ttl | 273 ++++++++++++++---------- nmrCV.obo | 46 ++-- nmrCV.owl | 289 +++++++++++++++++--------- nmrCV.ttl | 273 ++++++++++++++---------- src/ontology/imports/bfo_import.owl | 4 +- src/ontology/imports/chebi_import.owl | 4 +- src/ontology/imports/iao_import.owl | 5 +- src/ontology/imports/omo_import.owl | 4 +- src/ontology/imports/ro_import.owl | 16 +- 14 files changed, 955 insertions(+), 594 deletions(-) diff --git a/nmrCV-base.obo b/nmrCV-base.obo index e705d4c..33ff130 100644 --- a/nmrCV-base.obo +++ b/nmrCV-base.obo @@ -1,34 +1,45 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-02-18/nmrCV-base.owl +data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-base.owl idspace: dce http://purl.org/dc/elements/1.1/ idspace: dcterms http://purl.org/dc/terms/ idspace: doap http://usefulinc.com/ns/doap# idspace: foaf http://xmlns.com/foaf/0.1/ idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# idspace: skos http://www.w3.org/2004/02/skos/core# +idspace: vann http://purl.org/vocab/vann/ ontology: http://nmrML.org/nmrCV/nmrCV-base.owl -property_value: dce:contributor "Annick Moing" xsd:string -property_value: dce:contributor "Catherine Deborde" xsd:string -property_value: dce:contributor "Daniel Jacob" xsd:string -property_value: dce:contributor "Daniel Schober" xsd:string +property_value: dce:contributor "Chris Taylor" xsd:string +property_value: dce:contributor "Dennis Rubtsov" xsd:string +property_value: dce:contributor "Helen Jenkins" xsd:string +property_value: dce:contributor "Irena Spasic" xsd:string property_value: dce:contributor "Joseph Cruz" xsd:string +property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string -property_value: dce:contributor "Philippe Rocca-Serra" xsd:string -property_value: dce:contributor "Reza Salek" xsd:string -property_value: dce:contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times.\n\nPeople involved in the term creation from ID >1400000 :\n\nThis part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net):\n\nDaniel Schober (EBI)\nChris Taylor (EBI and HUPO-PSI)\nDennis Rubtsov (Un of Cambridge, UK)\nHelen Jenkins (Un of Wales, Aberystwyth, UK)\nIrena Spasic (Center for Integrative Systems Biology, Manchester, UK)\nLarissa Soldatova (University of Wales, Aberystwyth, UK)\nPhilippe Rocca-Serra (EBI and MGED Society)\nSusanna-Assunta Sansone (EBI)\n\nPeople involved in the term creation from ID<1400000:\n\nJoseph Cruz\nDaniel Schober\nMichael Wilson\nReza Salek\nDaniel Jacob\nDavid Wishart\n\nTerms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. \n\nOther people that substantially helped in revising the latest and Cosmos governed CV additions were:\n\nMichael Wilson, Wishart Group, Edmonton, Alberta, Canada\nDaniel Jacob, INRA, Bordeaux, France\nAnnick Moing, INRA, Bordeaux, France\nCatherine Deborde, INRA, Bordeaux, France\nReza Salek, EBI, Hinxton, UK\nPhilippe Rocca-Serra, University of Oxford, Oxford, UK\nAndrea Porzel, IPB-Halle, Germany\nand the COSMOS WP2 team\n\nA paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title\n`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen" xsd:string -property_value: dce:contributor "Steffen Neumann" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string +property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string property_value: dce:type IAO:8000001 +property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 +property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 +property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 +property_value: dcterms:contributor https://orcid.org/0000-0002-1595-3213 +property_value: dcterms:contributor https://orcid.org/0000-0002-3207-2434 +property_value: dcterms:contributor https://orcid.org/0000-0002-6687-7169 +property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 +property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 +property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ +property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string property_value: doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." xsd:string -property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues" xsd:string -property_value: doap:documenter "Daniel Schober" xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:string property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string -property_value: doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" xsd:string -property_value: doap:maintainer "https://www.wikidata.org/wiki/Q96678459" xsd:string +property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 +property_value: owl:priorVersion nmrCV:v1.1.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-02-18" xsd:string +property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: vann:preferredNamespacePrefix "NMR" xsd:string diff --git a/nmrCV-base.owl b/nmrCV-base.owl index 48535f9..20ca82f 100644 --- a/nmrCV-base.owl +++ b/nmrCV-base.owl @@ -11,74 +11,47 @@ xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" + xmlns:vann="http://purl.org/vocab/vann/" xmlns:dcterms="http://purl.org/dc/terms/" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - - Annick Moing - Catherine Deborde - Daniel Jacob - Daniel Schober + + Chris Taylor + Dennis Rubtsov + Helen Jenkins + Irena Spasic Joseph Cruz + Larissa Soldatova Michael Wilson - Philippe Rocca-Serra - Reza Salek - Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. - -People involved in the term creation from ID >1400000 : - -This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): - -Daniel Schober (EBI) -Chris Taylor (EBI and HUPO-PSI) -Dennis Rubtsov (Un of Cambridge, UK) -Helen Jenkins (Un of Wales, Aberystwyth, UK) -Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) -Larissa Soldatova (University of Wales, Aberystwyth, UK) -Philippe Rocca-Serra (EBI and MGED Society) -Susanna-Assunta Sansone (EBI) - -People involved in the term creation from ID<1400000: - -Joseph Cruz -Daniel Schober -Michael Wilson -Reza Salek -Daniel Jacob -David Wishart - -Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. - -Other people that substantially helped in revising the latest and Cosmos governed CV additions were: - -Michael Wilson, Wishart Group, Edmonton, Alberta, Canada -Daniel Jacob, INRA, Bordeaux, France -Annick Moing, INRA, Bordeaux, France -Catherine Deborde, INRA, Bordeaux, France -Reza Salek, EBI, Hinxton, UK -Philippe Rocca-Serra, University of Oxford, Oxford, UK -Andrea Porzel, IPB-Halle, Germany -and the COSMOS WP2 team - -A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title -`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen - Steffen Neumann Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. + COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team + WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + + + + + + + + + + + 2025-03-17 This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV + NMR This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments. - https://github.com/nmrML/nmrML/issues - Daniel Schober + https://github.com/nmrML/nmrCV/issues https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - https://groups.google.com/forum/?hl=en#!forum/nmrml/join - https://www.wikidata.org/wiki/Q96678459 - http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo + + 2.0_alpha - 2025-02-18 + 2025-03-17 @@ -106,12 +79,36 @@ access nmrML XML format developed by the COSMOS EU project. + + + + + + + + + + + + + + + + + + + + + + + + @@ -124,27 +121,33 @@ access nmrML XML format developed by the COSMOS EU project. + + + + + + - + - + - + - + - + - + @@ -160,15 +163,26 @@ access nmrML XML format developed by the COSMOS EU project. - + - + - + - + + + + + + diff --git a/nmrCV-base.ttl b/nmrCV-base.ttl index 204d4bd..b9aa21a 100644 --- a/nmrCV-base.ttl +++ b/nmrCV-base.ttl @@ -9,76 +9,49 @@ @prefix foaf: . @prefix rdfs: . @prefix skos: . +@prefix vann: . @prefix dcterms: . @prefix oboInOwl: . @base . rdf:type owl:Ontology ; - owl:versionIRI ; - dce:contributor "Annick Moing" , - "Catherine Deborde" , - "Daniel Jacob" , - "Daniel Schober" , + owl:versionIRI ; + dce:contributor "Chris Taylor" , + "Dennis Rubtsov" , + "Helen Jenkins" , + "Irena Spasic" , "Joseph Cruz" , - "Michael Wilson" , - "Philippe Rocca-Serra" , - "Reza Salek" , - """Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. - -People involved in the term creation from ID >1400000 : - -This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): - -Daniel Schober (EBI) -Chris Taylor (EBI and HUPO-PSI) -Dennis Rubtsov (Un of Cambridge, UK) -Helen Jenkins (Un of Wales, Aberystwyth, UK) -Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) -Larissa Soldatova (University of Wales, Aberystwyth, UK) -Philippe Rocca-Serra (EBI and MGED Society) -Susanna-Assunta Sansone (EBI) - -People involved in the term creation from ID<1400000: - -Joseph Cruz -Daniel Schober -Michael Wilson -Reza Salek -Daniel Jacob -David Wishart - -Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. - -Other people that substantially helped in revising the latest and Cosmos governed CV additions were: - -Michael Wilson, Wishart Group, Edmonton, Alberta, Canada -Daniel Jacob, INRA, Bordeaux, France -Annick Moing, INRA, Bordeaux, France -Catherine Deborde, INRA, Bordeaux, France -Reza Salek, EBI, Hinxton, UK -Philippe Rocca-Serra, University of Oxford, Oxford, UK -Andrea Porzel, IPB-Halle, Germany -and the COSMOS WP2 team - -A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title -`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen""" , - "Steffen Neumann" ; + "Larissa Soldatova" , + "Michael Wilson" ; dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; + dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; dce:type obo:IAO_8000001 ; + dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:contributor , + , + , + , + , + , + , + , + , + ; + dcterms:created "2025-03-17"^^xsd:date ; dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; dcterms:license ; + dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; + vann:preferredNamespacePrefix "NMR" ; doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." ; - doap:bug-database "https://github.com/nmrML/nmrML/issues" ; - doap:documenter "Daniel Schober" ; + doap:bug-database "https://github.com/nmrML/nmrCV/issues" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; - doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" ; - doap:maintainer "https://www.wikidata.org/wiki/Q96678459" ; - owl:deprecated "http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo" ; + doap:maintainer ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-02-18" . + "2025-03-17" . ################################################################# # Annotation properties @@ -92,10 +65,26 @@ dce:contributor rdf:type owl:AnnotationProperty . dce:coverage rdf:type owl:AnnotationProperty . +### http://purl.org/dc/elements/1.1/creator +dce:creator rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/elements/1.1/type dce:type rdf:type owl:AnnotationProperty . +### http://purl.org/dc/terms/abstract +dcterms:abstract rdf:type owl:AnnotationProperty . + + +### http://purl.org/dc/terms/contributor +dcterms:contributor rdf:type owl:AnnotationProperty . + + +### http://purl.org/dc/terms/created +dcterms:created rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/terms/description dcterms:description rdf:type owl:AnnotationProperty . @@ -104,10 +93,18 @@ dcterms:description rdf:type owl:AnnotationProperty . dcterms:license rdf:type owl:AnnotationProperty . +### http://purl.org/dc/terms/references +dcterms:references rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/terms/title dcterms:title rdf:type owl:AnnotationProperty . +### http://purl.org/vocab/vann/preferredNamespacePrefix +vann:preferredNamespacePrefix rdf:type owl:AnnotationProperty . + + ### http://usefulinc.com/ns/doap#audience doap:audience rdf:type owl:AnnotationProperty . @@ -116,10 +113,6 @@ doap:audience rdf:type owl:AnnotationProperty . doap:bug-database rdf:type owl:AnnotationProperty . -### http://usefulinc.com/ns/doap#documenter -doap:documenter rdf:type owl:AnnotationProperty . - - ### http://usefulinc.com/ns/doap#implements doap:implements rdf:type owl:AnnotationProperty . @@ -128,12 +121,16 @@ doap:implements rdf:type owl:AnnotationProperty . doap:location rdf:type owl:AnnotationProperty . -### http://usefulinc.com/ns/doap#mailing-list -doap:mailing-list rdf:type owl:AnnotationProperty . - - ### http://usefulinc.com/ns/doap#maintainer doap:maintainer rdf:type owl:AnnotationProperty . +################################################################# +# Datatypes +################################################################# + +### http://www.w3.org/2001/XMLSchema#date +xsd:date rdf:type rdfs:Datatype . + + ### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV-full.obo b/nmrCV-full.obo index 3ce1a16..67b9101 100644 --- a/nmrCV-full.obo +++ b/nmrCV-full.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-02-18/nmrCV-full.owl +data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-full.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -29,30 +29,41 @@ idspace: foaf http://xmlns.com/foaf/0.1/ idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# idspace: protege http://protege.stanford.edu/plugins/owl/protege# idspace: skos http://www.w3.org/2004/02/skos/core# +idspace: vann http://purl.org/vocab/vann/ ontology: http://nmrML.org/nmrCV/nmrCV-full.owl -property_value: dce:contributor "Annick Moing" xsd:string -property_value: dce:contributor "Catherine Deborde" xsd:string -property_value: dce:contributor "Daniel Jacob" xsd:string -property_value: dce:contributor "Daniel Schober" xsd:string +property_value: dce:contributor "Chris Taylor" xsd:string +property_value: dce:contributor "Dennis Rubtsov" xsd:string +property_value: dce:contributor "Helen Jenkins" xsd:string +property_value: dce:contributor "Irena Spasic" xsd:string property_value: dce:contributor "Joseph Cruz" xsd:string +property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string -property_value: dce:contributor "Philippe Rocca-Serra" xsd:string -property_value: dce:contributor "Reza Salek" xsd:string -property_value: dce:contributor "Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times.\n\nPeople involved in the term creation from ID >1400000 :\n\nThis part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net):\n\nDaniel Schober (EBI)\nChris Taylor (EBI and HUPO-PSI)\nDennis Rubtsov (Un of Cambridge, UK)\nHelen Jenkins (Un of Wales, Aberystwyth, UK)\nIrena Spasic (Center for Integrative Systems Biology, Manchester, UK)\nLarissa Soldatova (University of Wales, Aberystwyth, UK)\nPhilippe Rocca-Serra (EBI and MGED Society)\nSusanna-Assunta Sansone (EBI)\n\nPeople involved in the term creation from ID<1400000:\n\nJoseph Cruz\nDaniel Schober\nMichael Wilson\nReza Salek\nDaniel Jacob\nDavid Wishart\n\nTerms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. \n\nOther people that substantially helped in revising the latest and Cosmos governed CV additions were:\n\nMichael Wilson, Wishart Group, Edmonton, Alberta, Canada\nDaniel Jacob, INRA, Bordeaux, France\nAnnick Moing, INRA, Bordeaux, France\nCatherine Deborde, INRA, Bordeaux, France\nReza Salek, EBI, Hinxton, UK\nPhilippe Rocca-Serra, University of Oxford, Oxford, UK\nAndrea Porzel, IPB-Halle, Germany\nand the COSMOS WP2 team\n\nA paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title\n`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen" xsd:string -property_value: dce:contributor "Steffen Neumann" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string +property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string +property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 +property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 +property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 +property_value: dcterms:contributor https://orcid.org/0000-0002-1595-3213 +property_value: dcterms:contributor https://orcid.org/0000-0002-3207-2434 +property_value: dcterms:contributor https://orcid.org/0000-0002-6687-7169 +property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 +property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 +property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ +property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string property_value: doap:audience "This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments." xsd:string -property_value: doap:bug-database "https://github.com/nmrML/nmrML/issues" xsd:string -property_value: doap:documenter "Daniel Schober" xsd:string +property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:string property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string -property_value: doap:mailing-list "https://groups.google.com/forum/?hl=en#!forum/nmrml/join" xsd:string -property_value: doap:maintainer "https://www.wikidata.org/wiki/Q96678459" xsd:string +property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 +property_value: owl:priorVersion nmrCV:v1.1.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-02-18" xsd:string +property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: vann:preferredNamespacePrefix "NMR" xsd:string [Term] id: BFO:0000001 @@ -11210,6 +11221,7 @@ inverse_of: BFO:0000055 ! realizes [Typedef] id: BFO:0000055 name: realizes +def: "Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process" [] comment: Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process property_value: IAO:0000111 "realizes" xsd:string property_value: IAO:0000112 "this disease course realizes this disease" xsd:string @@ -11382,20 +11394,18 @@ holds_over_chain: has_part RO:0000057 [Typedef] id: RO:0000058 name: is concretized as -def: "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants." [] +def: "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes." [] property_value: IAO:0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)." xsd:string property_value: IAO:0000112 "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)." xsd:string domain: BFO:0000031 ! generically dependent continuant -range: BFO:0000020 ! specifically dependent continuant inverse_of: RO:0000059 ! concretizes [Typedef] id: RO:0000059 name: concretizes -def: "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant." [] +def: "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant." [] property_value: IAO:0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)." xsd:string property_value: IAO:0000112 "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)." xsd:string -domain: BFO:0000020 ! specifically dependent continuant range: BFO:0000031 ! generically dependent continuant [Typedef] diff --git a/nmrCV-full.owl b/nmrCV-full.owl index 56d71eb..4c7ab1a 100644 --- a/nmrCV-full.owl +++ b/nmrCV-full.owl @@ -11,6 +11,7 @@ xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" + xmlns:vann="http://purl.org/vocab/vann/" xmlns:chebi="http://purl.obolibrary.org/obo/chebi/" xmlns:chebi1="http://purl.obolibrary.org/obo/chebi#" xmlns:chebi2="http://purl.obolibrary.org/obo/chebi#2" @@ -20,70 +21,42 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - - Annick Moing - Catherine Deborde - Daniel Jacob - Daniel Schober + + Chris Taylor + Dennis Rubtsov + Helen Jenkins + Irena Spasic Joseph Cruz + Larissa Soldatova Michael Wilson - Philippe Rocca-Serra - Reza Salek - Since this is a prolonged effort spanning a larger time period, there naturally were many people involved in the creation over the years and during different times. - -People involved in the term creation from ID >1400000 : - -This part of the NMR ontology was originally developed by the ontology working group (http://msi-ontology.sourceforge.net/) of the msi-metabolomicssociety (msi-workgroups.sf.net): - -Daniel Schober (EBI) -Chris Taylor (EBI and HUPO-PSI) -Dennis Rubtsov (Un of Cambridge, UK) -Helen Jenkins (Un of Wales, Aberystwyth, UK) -Irena Spasic (Center for Integrative Systems Biology, Manchester, UK) -Larissa Soldatova (University of Wales, Aberystwyth, UK) -Philippe Rocca-Serra (EBI and MGED Society) -Susanna-Assunta Sansone (EBI) - -People involved in the term creation from ID<1400000: - -Joseph Cruz -Daniel Schober -Michael Wilson -Reza Salek -Daniel Jacob -David Wishart - -Terms with IDs ID<1400000 that were NOT asserted in the original Wishart obo file were created by Daniel Schober (COSMOS WP2). Its IDs were autogenerated with the Protege ID generator. - -Other people that substantially helped in revising the latest and Cosmos governed CV additions were: - -Michael Wilson, Wishart Group, Edmonton, Alberta, Canada -Daniel Jacob, INRA, Bordeaux, France -Annick Moing, INRA, Bordeaux, France -Catherine Deborde, INRA, Bordeaux, France -Reza Salek, EBI, Hinxton, UK -Philippe Rocca-Serra, University of Oxford, Oxford, UK -Andrea Porzel, IPB-Halle, Germany -and the COSMOS WP2 team - -A paper describing the overall nmrML data standard and CV has been accepted by Analytical Chemistry (Manuscript ID: ac-2017-02795f.R1), title -`nmrML: a community supported open data standard for the description, storage, and exchange of NMR data`, author(s): Schober, Daniel; Jacob, Daniel; Wilson, Michael; Cruz, Joseph; Marcu, Ana; Grant, Jason; Moing, Annick; Deborde, Catherine; de Figueiredo, Luis; Haug, Kenneth; Rocca-Serra, Philippe; Easton, John; Ebbels, Timothy; Hao, Jie; Ludwig, Christian; Günther, Ulrich; Rosato, Antonio; Klein, Matthias; Lewis, Ian; Luchinat, Claudio; Jones, Andrew; Grauslys, Arturas; Larralde, Martin; Yokochi, Masashi; Kobayashi, Naohiro; Porzel, Andrea; Griffin, Julian; Viant, Mark; Wishart, David; Steinbeck, Christoph; Salek, Reza; Neumann, Steffen - Steffen Neumann Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. + COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team + WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + + + + + + + + + + + 2025-03-17 This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV + NMR This CV is to be used by metabolomics researchers, or basically any chenomics or proteomics researchers who apply the nmrML xml to store their NMRraw data in a vendor agnostic manner. But nmrML can also be used to capture experimental results and (limited) basic metadata like molecule to spectral feature assignments. - https://github.com/nmrML/nmrML/issues - Daniel Schober + https://github.com/nmrML/nmrCV/issues https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - https://groups.google.com/forum/?hl=en#!forum/nmrml/join - https://www.wikidata.org/wiki/Q96678459 - http://www.metabolomicscentre.ca/nmrML/msi-nmr.obo + + 2.0_alpha - 2025-02-18 + 2025-03-17 @@ -1095,6 +1068,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1135,6 +1114,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1149,6 +1134,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1568,6 +1559,7 @@ A continuant cannot have an occurrent as part: use 'participates in'. this disease course realizes this disease this investigation realizes this investigator role this shattering realizes this fragility + Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process @@ -1800,10 +1792,17 @@ Some currently missing phenomena that should be considered "about" are - + + + + + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). - A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants. + A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes. is concretized as @@ -1812,11 +1811,18 @@ Some currently missing phenomena that should be considered "about" are - + + + + + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). - A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. + A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant. concretizes @@ -1999,6 +2005,7 @@ Some currently missing phenomena that should be considered "about" are + has member is a mereological relation between a collection and an item. SIO @@ -19429,6 +19436,42 @@ Line sharpening can be optimized during data acquisition or performed during dat lanthanum trichloride + + + + PMID:35809677 + Europe PMC + + + + + PMID:36006215 + Europe PMC + + + + + PMID:37767339 + Europe PMC + + + + + PMID:37837874 + Europe PMC + + + + + PMID:38222531 + Europe PMC + + + + + PMID:38322316 + Europe PMC + @@ -19544,42 +19587,6 @@ Line sharpening can be optimized during data acquisition or performed during dat PMID:35727352 Europe PMC - - - - PMID:35809677 - Europe PMC - - - - - PMID:36006215 - Europe PMC - - - - - PMID:37767339 - Europe PMC - - - - - PMID:37837874 - Europe PMC - - - - - PMID:38222531 - Europe PMC - - - - - PMID:38322316 - Europe PMC - @@ -31486,6 +31493,102 @@ This issue is outside the scope of OBI. + + + + Susanna-Assunta Sansone + + + + + + + + Catherine Deborde + + + + + + + + Reza Salek + + + + + + + + Philippe Rocca-Serra + + + + + + + + Philip Strömert + + + + + + + + David S Wishart + + + + + + + + Daniel Jacob + + + + + + + + Steffen Neumann + + + + + + + + Andrea Porzel + + + + + + + + Annick Moing + + + + + + + + Noura Rayya + + + + + + + + NFDI4Chem + + + + + + + + + @@ -1135,6 +1114,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1149,6 +1134,12 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] + + + + + + @@ -1568,6 +1559,7 @@ A continuant cannot have an occurrent as part: use 'participates in'. this disease course realizes this disease this investigation realizes this investigator role this shattering realizes this fragility + Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003]) Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process @@ -1800,10 +1792,17 @@ Some currently missing phenomena that should be considered "about" are - + + + + + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). - A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants. + A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes. is concretized as @@ -1812,11 +1811,18 @@ Some currently missing phenomena that should be considered "about" are - + + + + + + + + A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). - A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. + A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant. concretizes @@ -1999,6 +2005,7 @@ Some currently missing phenomena that should be considered "about" are + has member is a mereological relation between a collection and an item. SIO @@ -19304,6 +19311,24 @@ Line sharpening can be optimized during data acquisition or performed during dat caesium nitrate + + + + cesium nitrate + NIST_Chemistry_WebBook + + + + + nitric acid cesium salt + ChEBI + + + + + nitric acid, cesium salt + ChEBI + @@ -19359,24 +19384,6 @@ Line sharpening can be optimized during data acquisition or performed during dat CsNO3 ChEBI - - - - cesium nitrate - NIST_Chemistry_WebBook - - - - - nitric acid cesium salt - ChEBI - - - - - nitric acid, cesium salt - ChEBI - @@ -19429,6 +19436,24 @@ Line sharpening can be optimized during data acquisition or performed during dat lanthanum trichloride + + + + CAS:10099-58-8 + NIST Chemistry WebBook + + + + + PMID:25048927 + Europe PMC + + + + + PMID:29698762 + Europe PMC + @@ -19562,24 +19587,6 @@ Line sharpening can be optimized during data acquisition or performed during dat lanthanum(III) chloride ChEBI - - - - CAS:10099-58-8 - NIST Chemistry WebBook - - - - - PMID:25048927 - Europe PMC - - - - - PMID:29698762 - Europe PMC - @@ -31486,6 +31493,102 @@ This issue is outside the scope of OBI. + + + + Susanna-Assunta Sansone + + + + + + + + Catherine Deborde + + + + + + + + Reza Salek + + + + + + + + Philippe Rocca-Serra + + + + + + + + Philip Strömert + + + + + + + + David S Wishart + + + + + + + + Daniel Jacob + + + + + + + + Steffen Neumann + + + + + + + + Andrea Porzel + + + + + + + + Annick Moing + + + + + + + + Noura Rayya + + + + + + + + NFDI4Chem + + + + - - - - - @@ -166,23 +165,6 @@ access nmrML XML format developed by the COSMOS EU project. - - - - - - - - - - - diff --git a/nmrCV-base.ttl b/nmrCV-base.ttl index 28f3975..438f05f 100644 --- a/nmrCV-base.ttl +++ b/nmrCV-base.ttl @@ -15,7 +15,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -27,7 +27,13 @@ access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; dce:type obo:IAO_8000001 ; - dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; dcterms:contributor , , , @@ -38,8 +44,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; , , ; - dcterms:created "2025-03-17"^^xsd:date ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:created "2025-03-20" ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -49,9 +54,9 @@ access nmrML XML format developed by the COSMOS EU project.""" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-17" . + "2025-03-20" . ################################################################# # Annotation properties @@ -85,10 +90,6 @@ dcterms:contributor rdf:type owl:AnnotationProperty . dcterms:created rdf:type owl:AnnotationProperty . -### http://purl.org/dc/terms/description -dcterms:description rdf:type owl:AnnotationProperty . - - ### http://purl.org/dc/terms/license dcterms:license rdf:type owl:AnnotationProperty . @@ -125,12 +126,4 @@ doap:location rdf:type owl:AnnotationProperty . doap:maintainer rdf:type owl:AnnotationProperty . -################################################################# -# Datatypes -################################################################# - -### http://www.w3.org/2001/XMLSchema#date -xsd:date rdf:type rdfs:Datatype . - - ### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV-full.obo b/nmrCV-full.obo index 399eabc..fb8eb5f 100644 --- a/nmrCV-full.obo +++ b/nmrCV-full.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-full.owl +data-version: http://nmrml.org/cv/2025-03-20/nmrCV-full.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -40,7 +40,7 @@ property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string -property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -51,7 +51,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:created "2025-03-20" xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -60,9 +60,9 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion nmrCV:v1.1.owl +property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: owl:versionInfo "2025-03-20" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string [Term] @@ -3099,7 +3099,7 @@ xref: Gmelin:463924 {source="Gmelin"} is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33579 ! main group molecular entity is_a: CHEBI:36357 ! polyatomic entity -is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound +is_a: NMR:0002000 ! 87Sr spectrum chemical shift reference compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string @@ -5382,6 +5382,15 @@ name: EL++ ontology module is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string +[Term] +id: NMR:0002000 +name: 87Sr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime + [Term] id: NMR:0002001 name: characterized compound @@ -10886,15 +10895,6 @@ id: NMR:1400321 name: Bruker WIN NMR format is_a: NMR:1400285 ! NMR software data format -[Term] -id: NMRCV:0002000 -name: 87Sr spectrum chemical shift reference compound -def: "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} -comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. -is_a: NMR:1400033 ! chemical shift reference compound -property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime - [Term] id: OBI:0000011 name: planned process diff --git a/nmrCV-full.owl b/nmrCV-full.owl index 9fe5dac..4d40dc4 100644 --- a/nmrCV-full.owl +++ b/nmrCV-full.owl @@ -21,7 +21,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -32,7 +32,13 @@ Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. @@ -43,8 +49,7 @@ access nmrML XML format developed by the COSMOS EU project. - 2025-03-17 - This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + 2025-03-20 https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -54,9 +59,9 @@ access nmrML XML format developed by the COSMOS EU project. https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-17 + 2025-03-20 @@ -2077,6 +2082,25 @@ Some currently missing phenomena that should be considered "about" are + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + + + + @@ -13064,25 +13088,6 @@ Line sharpening can be optimized during data acquisition or performed during dat - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - 2025-02-17T15:49:36Z - This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. - 87Sr spectrum chemical shift reference compound - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - - - - @@ -22692,7 +22697,7 @@ Line sharpening can be optimized during data acquisition or performed during dat - + diff --git a/nmrCV-full.ttl b/nmrCV-full.ttl index 5f4fb9f..fa180f8 100644 --- a/nmrCV-full.ttl +++ b/nmrCV-full.ttl @@ -21,7 +21,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -32,7 +32,13 @@ dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; - dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; dcterms:contributor , , , @@ -43,8 +49,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; , , ; - dcterms:created "2025-03-17"^^xsd:date ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:created "2025-03-20" ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -54,9 +59,9 @@ access nmrML XML format developed by the COSMOS EU project.""" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-17" . + "2025-03-20" . ################################################################# # Annotation properties @@ -1589,6 +1594,23 @@ obo:RO_0010002 rdf:type owl:ObjectProperty ; # Classes ################################################################# +### http://nmrML.org/nmrCV#NMR:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + ### http://nmrML.org/nmrCV#NMR:0002001 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 @@ -10271,23 +10293,6 @@ Line sharpening can be optimized during data acquisition or performed during dat rdfs:label "Bruker WIN NMR format" . -### http://nmrML.org/nmrCV#NMRCV:0002000 - rdf:type owl:Class ; - rdfs:subClassOf ; - obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:contributor ; - dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; - rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; - rdfs:label "87Sr spectrum chemical shift reference compound"@en . - -[ rdf:type owl:Axiom ; - owl:annotatedSource ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:source - ] . - - ### http://purl.obolibrary.org/obo/BFO_0000001 obo:BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; @@ -20473,7 +20478,7 @@ obo:CHEBI_36357 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/CHEBI_36383 obo:CHEBI_36383 rdf:type owl:Class ; - rdfs:subClassOf , + rdfs:subClassOf , obo:CHEBI_24835 , obo:CHEBI_33579 , obo:CHEBI_36357 ; diff --git a/nmrCV.obo b/nmrCV.obo index bd30a32..0ecd068 100644 --- a/nmrCV.obo +++ b/nmrCV.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV.owl +data-version: http://nmrml.org/cv/2025-03-20/nmrCV.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -40,7 +40,7 @@ property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string -property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -51,7 +51,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:created "2025-03-20" xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -60,9 +60,9 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion nmrCV:v1.1.owl +property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: owl:versionInfo "2025-03-20" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string [Term] @@ -3099,7 +3099,7 @@ xref: Gmelin:463924 {source="Gmelin"} is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33579 ! main group molecular entity is_a: CHEBI:36357 ! polyatomic entity -is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound +is_a: NMR:0002000 ! 87Sr spectrum chemical shift reference compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string @@ -5382,6 +5382,15 @@ name: EL++ ontology module is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string +[Term] +id: NMR:0002000 +name: 87Sr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime + [Term] id: NMR:0002001 name: characterized compound @@ -10886,15 +10895,6 @@ id: NMR:1400321 name: Bruker WIN NMR format is_a: NMR:1400285 ! NMR software data format -[Term] -id: NMRCV:0002000 -name: 87Sr spectrum chemical shift reference compound -def: "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} -comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. -is_a: NMR:1400033 ! chemical shift reference compound -property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime - [Term] id: OBI:0000011 name: planned process diff --git a/nmrCV.owl b/nmrCV.owl index 3bc69ba..30c3768 100644 --- a/nmrCV.owl +++ b/nmrCV.owl @@ -21,7 +21,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -32,7 +32,13 @@ Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. @@ -43,8 +49,7 @@ access nmrML XML format developed by the COSMOS EU project. - 2025-03-17 - This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + 2025-03-20 https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -54,9 +59,9 @@ access nmrML XML format developed by the COSMOS EU project. https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-17 + 2025-03-20 @@ -2077,6 +2082,25 @@ Some currently missing phenomena that should be considered "about" are + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + + + + @@ -13064,25 +13088,6 @@ Line sharpening can be optimized during data acquisition or performed during dat - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - 2025-02-17T15:49:36Z - This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. - 87Sr spectrum chemical shift reference compound - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - - - - @@ -22692,7 +22697,7 @@ Line sharpening can be optimized during data acquisition or performed during dat - + diff --git a/nmrCV.ttl b/nmrCV.ttl index 1691cce..019e1c3 100644 --- a/nmrCV.ttl +++ b/nmrCV.ttl @@ -21,7 +21,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -32,7 +32,13 @@ dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; - dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; dcterms:contributor , , , @@ -43,8 +49,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; , , ; - dcterms:created "2025-03-17"^^xsd:date ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:created "2025-03-20" ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -54,9 +59,9 @@ access nmrML XML format developed by the COSMOS EU project.""" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-17" . + "2025-03-20" . ################################################################# # Annotation properties @@ -1589,6 +1594,23 @@ obo:RO_0010002 rdf:type owl:ObjectProperty ; # Classes ################################################################# +### http://nmrML.org/nmrCV#NMR:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + ### http://nmrML.org/nmrCV#NMR:0002001 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 @@ -10271,23 +10293,6 @@ Line sharpening can be optimized during data acquisition or performed during dat rdfs:label "Bruker WIN NMR format" . -### http://nmrML.org/nmrCV#NMRCV:0002000 - rdf:type owl:Class ; - rdfs:subClassOf ; - obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:contributor ; - dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; - rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; - rdfs:label "87Sr spectrum chemical shift reference compound"@en . - -[ rdf:type owl:Axiom ; - owl:annotatedSource ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:source - ] . - - ### http://purl.obolibrary.org/obo/BFO_0000001 obo:BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; @@ -20473,7 +20478,7 @@ obo:CHEBI_36357 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/CHEBI_36383 obo:CHEBI_36383 rdf:type owl:Class ; - rdfs:subClassOf , + rdfs:subClassOf , obo:CHEBI_24835 , obo:CHEBI_33579 , obo:CHEBI_36357 ; diff --git a/src/ontology/imports/bfo_import.owl b/src/ontology/imports/bfo_import.owl index ebf3740..13a2a47 100644 --- a/src/ontology/imports/bfo_import.owl +++ b/src/ontology/imports/bfo_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -64,6 +65,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty(rdfs:isDefinedBy)) Declaration(AnnotationProperty(rdfs:seeAlso)) diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index 81f9a10..081f6c4 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,8 +7,9 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2025-03-17") + +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -201,6 +202,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) diff --git a/src/ontology/imports/iao_import.owl b/src/ontology/imports/iao_import.owl index e30e2f9..1469299 100644 --- a/src/ontology/imports/iao_import.owl +++ b/src/ontology/imports/iao_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -69,6 +70,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) ############################ # Annotation Properties diff --git a/src/ontology/imports/omo_import.owl b/src/ontology/imports/omo_import.owl index 732ce45..735b213 100644 --- a/src/ontology/imports/omo_import.owl +++ b/src/ontology/imports/omo_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) diff --git a/src/ontology/imports/ro_import.owl b/src/ontology/imports/ro_import.owl index 4ff198a..d7bedb1 100644 --- a/src/ontology/imports/ro_import.owl +++ b/src/ontology/imports/ro_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -67,6 +68,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) diff --git a/src/ontology/nmrCV-edit.owl b/src/ontology/nmrCV-edit.owl index fe6e6b0..bcfd802 100644 --- a/src/ontology/nmrCV-edit.owl +++ b/src/ontology/nmrCV-edit.owl @@ -1038,6 +1038,7 @@ AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(dcterms:created "2024-08-22T15:10:11Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "NMR calibration compound role"@en) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_51086) SubClassOf(Annotation(rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds."@en) Annotation(rdfs:isDefinedBy ) obo:CHEBI_51086) # Class: (NMR chemical shift calibration compound role) @@ -1047,6 +1048,7 @@ AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(dcterms:created "2024-08-22T15:12:21Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "NMR chemical shift calibration compound role"@en) +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf(Annotation(rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.") Annotation(rdfs:isDefinedBy ) ) # Class: (NMR concentration calibration compound role) @@ -5374,7 +5376,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. altdef: The autosampler is an automatic sample changer.") AnnotationAssertion(rdfs:label "NMR autosampler") -SubClassOf( obo:OBI_0000968) +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) # Class: (multiplicity feature) @@ -5420,6 +5422,7 @@ SubClassOf( obo:OBI_0000968) AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(rdfs:comment "def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers.") AnnotationAssertion(rdfs:label "NMR acquisition computer") +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( obo:OBI_0400107) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) @@ -5429,6 +5432,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample.") AnnotationAssertion(rdfs:label "NMR probe") +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( obo:OBI_0000832) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) @@ -5438,7 +5442,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: A component of an NMR instrument that controls the activities of the other components.") AnnotationAssertion(rdfs:label "NMR console") AnnotationAssertion(owl:versionInfo "TODO: same as or part of acquisition computer?") -SubClassOf( obo:OBI_0000968) +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) # Class: (number of acquisition data points) @@ -6036,6 +6040,7 @@ AnnotationAssertion(doap:bug-database "http AnnotationAssertion(oboInOwl:hasExactSynonym "sample tube") AnnotationAssertion(rdfs:comment "sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID") AnnotationAssertion(rdfs:label "NMR sample tube") +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( obo:OBI_0000836) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) @@ -6210,7 +6215,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss.") AnnotationAssertion(rdfs:label "NMR magnet") -SubClassOf( obo:OBI_0000968) +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) # Class: (Bruker NMR magnet) @@ -6345,7 +6350,7 @@ SubClassOf( ) AnnotationAssertion(rdfs:comment "defneed") AnnotationAssertion(rdfs:label "NMR tube washing system") -SubClassOf( obo:OBI_0000968) +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) # Class: (Bruker AutoClean) @@ -6408,7 +6413,7 @@ SubClassOf( ObjectHasValue(obo:OBI_0000304 < AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(rdfs:comment "def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample.") AnnotationAssertion(rdfs:label "NMR sample holder") -SubClassOf( obo:OBI_0000968) +SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) # Class: (NMR software) @@ -6638,6 +6643,7 @@ AnnotationAssertion(obo:IAO_0000115 "A manu AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(rdfs:label "NMR device manufacturer"@en) EquivalentClasses( ObjectIntersectionOf(obo:OBI_0000835 ObjectSomeValuesFrom(obo:RO_0000087 ObjectIntersectionOf(obo:OBI_0000571 ObjectSomeValuesFrom(obo:BFO_0000054 ObjectIntersectionOf(obo:OBI_0000457 ObjectSomeValuesFrom(obo:OBI_0000299 ObjectSomeValuesFrom(obo:BFO_0000050 )))))))) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:OBI_0000835) # Class: (sample temperature information) @@ -6921,6 +6927,7 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_195173 ) +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_228364 ) SubClassOf(Annotation(rdfs:comment "\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\".") Annotation(rdfs:isDefinedBy ) obo:CHEBI_228364 ) # Class: obo:CHEBI_229454 (yttrium nitrate) @@ -7215,6 +7222,10 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_59606 ) + # Class: obo:CHEBI_63004 (sodium bromide) SubClassOf(obo:CHEBI_63004 ) @@ -7232,6 +7243,10 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63317 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63940 ) +# Class: obo:CHEBI_6636 (magnesium dichloride) + +SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_6636 ) + # Class: obo:CHEBI_75215 (sodium molybdate (anhydrous)) SubClassOf(obo:CHEBI_75215 ) From a51346c7755c6064110c048ec938841ce73ca81c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Thu, 20 Mar 2025 09:19:24 +0100 Subject: [PATCH 16/21] Updated ROBOT diff output --- ...tml => diff_nmrCV1.1-nmrCV_2025-03-20.html | 39 +++++++++------- ...ha.md => diff_nmrCV1.1-nmrCV_2025-03-20.md | 44 ++++++++++--------- 2 files changed, 46 insertions(+), 37 deletions(-) rename diff_nmrCV1.1-nmrCV2.0alpha.html => diff_nmrCV1.1-nmrCV_2025-03-20.html (99%) rename diff_nmrCV1.1-nmrCV2.0alpha.md => diff_nmrCV1.1-nmrCV_2025-03-20.md (99%) diff --git a/diff_nmrCV1.1-nmrCV2.0alpha.html b/diff_nmrCV1.1-nmrCV_2025-03-20.html similarity index 99% rename from diff_nmrCV1.1-nmrCV2.0alpha.html rename to diff_nmrCV1.1-nmrCV_2025-03-20.html index 556847e..c0c2cd8 100644 --- a/diff_nmrCV1.1-nmrCV2.0alpha.html +++ b/diff_nmrCV1.1-nmrCV_2025-03-20.html @@ -32,13 +32,13 @@

                                                                                                                                                                                                                                                                                                                                              Ontology comparison

                                                                                                                                                                                                                                                                                                                                              Left

                                                                                                                                                                                                                                                                                                                                              • Ontology IRI: <http://nmrML.org/nmrCV>
                                                                                                                                                                                                                                                                                                                                                • -
                                                                                                                                                                                                                                                                                                                                              • Version IRI: None
                                                                                                                                                                                                                                                                                                                                                • -
                                                                                                                                                                                                                                                                                                                                              • Loaded from: <file:/work/nmrCV_v1.1.owl>
                                                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                                                              • Version IRI: <http://nmrml.org/cv/v1.1.0/nmrCV.owl>
                                                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                                                              • Loaded from: <file:/work/nmrCV_v1.1.0.owl>

                                                                                                                                                                                                                                                                                                                                              Right

                                                                                                                                                                                                                                                                                                                                              • Ontology IRI: <http://nmrML.org/nmrCV.owl>
                                                                                                                                                                                                                                                                                                                                                • -
                                                                                                                                                                                                                                                                                                                                              • Version IRI: <http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV.owl>
                                                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                                                              • Version IRI: <http://nmrml.org/cv/2025-03-20/nmrCV.owl>
                                                                                                                                                                                                                                                                                                                                              • Loaded from: <file:/work/nmrCV.owl>
                                                                                                                                                                                                                                                                                                                                              @@ -187,7 +187,13 @@

                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                            • coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project."
                                                                                                                                                                                                                                                                                                                                              • creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team"
                                                                                                                                                                                                                                                                                                                                                  • -
                                                                                                                                                                                                                                                                                                                                                • abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies."
                                                                                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                                                                                  • abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."@en
                                                                                                                                                                                                                                                                                                                                                    • contributor Susanna-Assunta Sansone
                                                                                                                                                                                                                                                                                                                                                      • contributor Catherine Deborde
                                                                                                                                                                                                                                                                                                                                                        • contributor Reza Salek
                                                                                                                                                                                                                                                                                                                                                            • @@ -198,8 +204,7 @@

                                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                                          • contributor Andrea Porzel
                                                                                                                                                                                                                                                                                                                                                            • contributor Annick Moing
                                                                                                                                                                                                                                                                                                                                                              • contributor Noura Rayya
                                                                                                                                                                                                                                                                                                                                                                  • -
                                                                                                                                                                                                                                                                                                                                                                • created "2025-03-17"^^date
                                                                                                                                                                                                                                                                                                                                                                    • -
                                                                                                                                                                                                                                                                                                                                                                  • description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model."
                                                                                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                                                                                    • created "2025-03-20"
                                                                                                                                                                                                                                                                                                                                                                      • license <https://creativecommons.org/publicdomain/mark/1.0/>
                                                                                                                                                                                                                                                                                                                                                                        • references "https://doi.org/10.1021/acs.analchem.7b02795"
                                                                                                                                                                                                                                                                                                                                                                          • title "nuclear magnetic resonance CV"
                                                                                                                                                                                                                                                                                                                                                                              • @@ -207,9 +212,9 @@

                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                            • bug-database "https://github.com/nmrML/nmrCV/issues"
                                                                                                                                                                                                                                                                                                                                                                              • location "https://github.com/nmrML/nmrCV"
                                                                                                                                                                                                                                                                                                                                                                                • maintainer NFDI4Chem
                                                                                                                                                                                                                                                                                                                                                                                    • -
                                                                                                                                                                                                                                                                                                                                                                                  • priorVersion nmrCV_v1.1.owl
                                                                                                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                                                                                                    • priorVersion nmrCV.owl
                                                                                                                                                                                                                                                                                                                                                                                      • versionInfo "2.0_alpha"
                                                                                                                                                                                                                                                                                                                                                                                          • -
                                                                                                                                                                                                                                                                                                                                                                                        • versionInfo "2025-03-17"
                                                                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                                                                          • versionInfo "2025-03-20"
                                                                                                                                                                                                                                                                                                                                                                                              • @@ -2307,18 +2312,18 @@

                                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                                              -

                                                                                                                                                                                                                                                                                                                                                                                              87Sr spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMRCV:0002000

                                                                                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                                                                                              87Sr spectrum chemical shift reference compound - http://nmrML.org/nmrCV#NMR:0002000

                                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                                              @@ -13736,9 +13741,9 @@

                                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                                            • strontium dichloride mass "158.52540"
                                                                                                                                                                                                                                                                                                                                                                                              • Class: strontium dichloride
                                                                                                                                                                                                                                                                                                                                                                                                • strontium dichloride SubClassOf main group molecular entity
                                                                                                                                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                                                                                                                                  • strontium dichloride SubClassOf 87Sr spectrum chemical shift reference compound
                                                                                                                                                                                                                                                                                                                                                                                                    • strontium dichloride SubClassOf polyatomic entity
                                                                                                                                                                                                                                                                                                                                                                                                      • strontium dichloride SubClassOf inorganic molecular entity
                                                                                                                                                                                                                                                                                                                                                                                                          • -
                                                                                                                                                                                                                                                                                                                                                                                                        • strontium dichloride SubClassOf 87Sr spectrum chemical shift reference compound
                                                                                                                                                                                                                                                                                                                                                                                                            • diff --git a/diff_nmrCV1.1-nmrCV2.0alpha.md b/diff_nmrCV1.1-nmrCV_2025-03-20.md similarity index 99% rename from diff_nmrCV1.1-nmrCV2.0alpha.md rename to diff_nmrCV1.1-nmrCV_2025-03-20.md index 2bb07cd..66978b8 100644 --- a/diff_nmrCV1.1-nmrCV2.0alpha.md +++ b/diff_nmrCV1.1-nmrCV_2025-03-20.md @@ -2,12 +2,12 @@ ## Left - Ontology IRI: `http://nmrML.org/nmrCV` -- Version IRI: *None* -- Loaded from: `file:/work/nmrCV_v1.1.owl` +- Version IRI: `http://nmrml.org/cv/v1.1.0/nmrCV.owl` +- Loaded from: `file:/work/nmrCV_v1.1.0.owl` ## Right - Ontology IRI: `http://nmrML.org/nmrCV.owl` -- Version IRI: `http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV.owl` +- Version IRI: `http://nmrml.org/cv/2025-03-20/nmrCV.owl` - Loaded from: `file:/work/nmrCV.owl` ### Ontology imports @@ -180,7 +180,13 @@ access nmrML XML format developed by the COSMOS EU project." - [creator](http://purl.org/dc/elements/1.1/creator) "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" -- [abstract](http://purl.org/dc/terms/abstract) "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." +- [abstract](http://purl.org/dc/terms/abstract) "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."@en - [contributor](http://purl.org/dc/terms/contributor) [Susanna-Assunta Sansone](https://orcid.org/0000-0001-5306-5690) @@ -202,9 +208,7 @@ access nmrML XML format developed by the COSMOS EU project." - [contributor](http://purl.org/dc/terms/contributor) [Noura Rayya](https://orcid.org/0009-0001-5998-5030) -- [created](http://purl.org/dc/terms/created) "2025-03-17"^^[date](http://www.w3.org/2001/XMLSchema#date) - -- [description](http://purl.org/dc/terms/description) "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." +- [created](http://purl.org/dc/terms/created) "2025-03-20" - [license](http://purl.org/dc/terms/license) [](https://creativecommons.org/publicdomain/mark/1.0/) @@ -220,11 +224,11 @@ access nmrML XML format developed by the COSMOS EU project." - [maintainer](http://usefulinc.com/ns/doap#maintainer) [NFDI4Chem](https://www.wikidata.org/wiki/Q96678459) -- [priorVersion](http://www.w3.org/2002/07/owl#priorVersion) [nmrCV_v1.1.owl](http://nmrML.org/nmrCV_v1.1.owl) +- [priorVersion](http://www.w3.org/2002/07/owl#priorVersion) [nmrCV.owl](https://nmrml.org/cv/v1.1.0/nmrCV.owl) - [versionInfo](http://www.w3.org/2002/07/owl#versionInfo) "2.0_alpha" -- [versionInfo](http://www.w3.org/2002/07/owl#versionInfo) "2025-03-17" +- [versionInfo](http://www.w3.org/2002/07/owl#versionInfo) "2025-03-20" ### 2,2-Dimethyl-2-silapentane-5-sulfonate `http://nmrML.org/nmrCV#NMR:1000429` @@ -2827,23 +2831,23 @@ access nmrML XML format developed by the COSMOS EU project." - [87Rb spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002145) SubClassOf [chemical shift standard](http://nmrML.org/nmrCV#NMR:1400033) -### 87Sr spectrum chemical shift reference compound `http://nmrML.org/nmrCV#NMRCV:0002000` +### 87Sr spectrum chemical shift reference compound `http://nmrML.org/nmrCV#NMR:0002000` #### Added -- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) [label](http://www.w3.org/2000/01/rdf-schema#label) "87Sr spectrum chemical shift reference compound"@en - -- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." +- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." - [source](http://purl.org/dc/terms/source) [html](https://www.degruyter.com/document/doi/10.1351/pac200880010059/html) -- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) [created](http://purl.org/dc/terms/created) "2025-02-17T15:49:36Z"^^[dateTime](http://www.w3.org/2001/XMLSchema#dateTime) +- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) [label](http://www.w3.org/2000/01/rdf-schema#label) "87Sr spectrum chemical shift reference compound"@en + +- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." -- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) [contributor](http://purl.org/dc/terms/contributor) [Noura Rayya](https://orcid.org/0009-0001-5998-5030) +- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) [created](http://purl.org/dc/terms/created) "2025-02-17T15:49:36Z"^^[dateTime](http://www.w3.org/2001/XMLSchema#dateTime) -- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." +- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) [contributor](http://purl.org/dc/terms/contributor) [Noura Rayya](https://orcid.org/0009-0001-5998-5030) -- Class: [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) +- Class: [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) -- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) SubClassOf [chemical shift standard](http://nmrML.org/nmrCV#NMR:1400033) +- [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) SubClassOf [chemical shift standard](http://nmrML.org/nmrCV#NMR:1400033) ### 89Y spectrum chemical shift reference compound `http://nmrML.org/nmrCV#NMR:0002087` @@ -17938,12 +17942,12 @@ Cons sometimes specifies a quality which is not a realizable."@en - [strontium dichloride](http://purl.obolibrary.org/obo/CHEBI_36383) SubClassOf [main group molecular entity](http://purl.obolibrary.org/obo/CHEBI_33579) +- [strontium dichloride](http://purl.obolibrary.org/obo/CHEBI_36383) SubClassOf [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMR:0002000) + - [strontium dichloride](http://purl.obolibrary.org/obo/CHEBI_36383) SubClassOf [polyatomic entity](http://purl.obolibrary.org/obo/CHEBI_36357) - [strontium dichloride](http://purl.obolibrary.org/obo/CHEBI_36383) SubClassOf [inorganic molecular entity](http://purl.obolibrary.org/obo/CHEBI_24835) -- [strontium dichloride](http://purl.obolibrary.org/obo/CHEBI_36383) SubClassOf [87Sr spectrum chemical shift reference compound](http://nmrML.org/nmrCV#NMRCV:0002000) - ### subject `http://purl.org/dc/elements/1.1/subject` From 54410820adf6cd2f158d8453b786558b256c2867 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Thu, 20 Mar 2025 09:31:26 +0100 Subject: [PATCH 17/21] Revert "Regenerate release artefacts and import modules" This reverts commit b72b33538a636919a88e6b24c65a60fc2d72b3ff. --- nmrCV-base.obo | 10 ++--- nmrCV-base.owl | 40 +++++++++++++------ nmrCV-base.ttl | 29 ++++++++------ nmrCV-full.obo | 30 +++++++------- nmrCV-full.owl | 57 ++++++++++++--------------- nmrCV-full.ttl | 53 +++++++++++-------------- nmrCV.obo | 30 +++++++------- nmrCV.owl | 57 ++++++++++++--------------- nmrCV.ttl | 53 +++++++++++-------------- src/ontology/imports/bfo_import.owl | 6 +-- src/ontology/imports/chebi_import.owl | 6 +-- src/ontology/imports/iao_import.owl | 6 +-- src/ontology/imports/omo_import.owl | 5 +-- src/ontology/imports/ro_import.owl | 6 +-- src/ontology/nmrCV-edit.owl | 25 +++--------- 15 files changed, 197 insertions(+), 216 deletions(-) diff --git a/nmrCV-base.obo b/nmrCV-base.obo index b3ff645..e4d3520 100644 --- a/nmrCV-base.obo +++ b/nmrCV-base.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrml.org/cv/2025-03-20/nmrCV-base.owl +data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-base.owl idspace: dce http://purl.org/dc/elements/1.1/ idspace: dcterms http://purl.org/dc/terms/ idspace: doap http://usefulinc.com/ns/doap# @@ -18,7 +18,7 @@ property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string property_value: dce:type IAO:8000001 -property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string +property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -29,7 +29,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-03-20" xsd:string +property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -38,8 +38,8 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl +property_value: owl:priorVersion nmrCV:v1.1.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-20" xsd:string +property_value: owl:versionInfo "2025-03-17" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string diff --git a/nmrCV-base.owl b/nmrCV-base.owl index f501cf8..d64fefc 100644 --- a/nmrCV-base.owl +++ b/nmrCV-base.owl @@ -15,7 +15,7 @@ xmlns:dcterms="http://purl.org/dc/terms/" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -27,13 +27,7 @@ access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. - -Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. - -The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. - -⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. + WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. @@ -44,7 +38,8 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of - 2025-03-20 + 2025-03-17 + This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -54,9 +49,9 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-20 + 2025-03-17 @@ -114,6 +109,12 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of + + + + + + @@ -165,6 +166,23 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of + + + + + + + + + + + diff --git a/nmrCV-base.ttl b/nmrCV-base.ttl index 438f05f..28f3975 100644 --- a/nmrCV-base.ttl +++ b/nmrCV-base.ttl @@ -15,7 +15,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -27,13 +27,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; dce:type obo:IAO_8000001 ; - dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. - -Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. - -The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. - -⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; + dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; dcterms:contributor , , , @@ -44,7 +38,8 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of , , ; - dcterms:created "2025-03-20" ; + dcterms:created "2025-03-17"^^xsd:date ; + dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -54,9 +49,9 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-20" . + "2025-03-17" . ################################################################# # Annotation properties @@ -90,6 +85,10 @@ dcterms:contributor rdf:type owl:AnnotationProperty . dcterms:created rdf:type owl:AnnotationProperty . +### http://purl.org/dc/terms/description +dcterms:description rdf:type owl:AnnotationProperty . + + ### http://purl.org/dc/terms/license dcterms:license rdf:type owl:AnnotationProperty . @@ -126,4 +125,12 @@ doap:location rdf:type owl:AnnotationProperty . doap:maintainer rdf:type owl:AnnotationProperty . +################################################################# +# Datatypes +################################################################# + +### http://www.w3.org/2001/XMLSchema#date +xsd:date rdf:type rdfs:Datatype . + + ### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV-full.obo b/nmrCV-full.obo index fb8eb5f..399eabc 100644 --- a/nmrCV-full.obo +++ b/nmrCV-full.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrml.org/cv/2025-03-20/nmrCV-full.owl +data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-full.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -40,7 +40,7 @@ property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string -property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string +property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -51,7 +51,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-03-20" xsd:string +property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -60,9 +60,9 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl +property_value: owl:priorVersion nmrCV:v1.1.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-20" xsd:string +property_value: owl:versionInfo "2025-03-17" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string [Term] @@ -3099,7 +3099,7 @@ xref: Gmelin:463924 {source="Gmelin"} is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33579 ! main group molecular entity is_a: CHEBI:36357 ! polyatomic entity -is_a: NMR:0002000 ! 87Sr spectrum chemical shift reference compound +is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string @@ -5382,15 +5382,6 @@ name: EL++ ontology module is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string -[Term] -id: NMR:0002000 -name: 87Sr spectrum chemical shift reference compound -def: "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} -comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. -is_a: NMR:1400033 ! chemical shift reference compound -property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime - [Term] id: NMR:0002001 name: characterized compound @@ -10895,6 +10886,15 @@ id: NMR:1400321 name: Bruker WIN NMR format is_a: NMR:1400285 ! NMR software data format +[Term] +id: NMRCV:0002000 +name: 87Sr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime + [Term] id: OBI:0000011 name: planned process diff --git a/nmrCV-full.owl b/nmrCV-full.owl index 4d40dc4..9fe5dac 100644 --- a/nmrCV-full.owl +++ b/nmrCV-full.owl @@ -21,7 +21,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -32,13 +32,7 @@ Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. - -Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. - -The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. - -⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. + WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. @@ -49,7 +43,8 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of - 2025-03-20 + 2025-03-17 + This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -59,9 +54,9 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-20 + 2025-03-17 @@ -2082,25 +2077,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. - - 2025-02-17T15:49:36Z - This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. - 87Sr spectrum chemical shift reference compound - - - - - A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. - - - - - @@ -13088,6 +13064,25 @@ Line sharpening can be optimized during data acquisition or performed during dat + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + + + + @@ -22697,7 +22692,7 @@ Line sharpening can be optimized during data acquisition or performed during dat - + diff --git a/nmrCV-full.ttl b/nmrCV-full.ttl index fa180f8..5f4fb9f 100644 --- a/nmrCV-full.ttl +++ b/nmrCV-full.ttl @@ -21,7 +21,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -32,13 +32,7 @@ dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; - dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. - -Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. - -The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. - -⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; + dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; dcterms:contributor , , , @@ -49,7 +43,8 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of , , ; - dcterms:created "2025-03-20" ; + dcterms:created "2025-03-17"^^xsd:date ; + dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -59,9 +54,9 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-20" . + "2025-03-17" . ################################################################# # Annotation properties @@ -1594,23 +1589,6 @@ obo:RO_0010002 rdf:type owl:ObjectProperty ; # Classes ################################################################# -### http://nmrML.org/nmrCV#NMR:0002000 - rdf:type owl:Class ; - rdfs:subClassOf ; - obo:IAO_0000115 "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; - dcterms:contributor ; - dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; - rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; - rdfs:label "87Sr spectrum chemical shift reference compound"@en . - -[ rdf:type owl:Axiom ; - owl:annotatedSource ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; - dcterms:source - ] . - - ### http://nmrML.org/nmrCV#NMR:0002001 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 @@ -10293,6 +10271,23 @@ Line sharpening can be optimized during data acquisition or performed during dat rdfs:label "Bruker WIN NMR format" . +### http://nmrML.org/nmrCV#NMRCV:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + ### http://purl.obolibrary.org/obo/BFO_0000001 obo:BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; @@ -20478,7 +20473,7 @@ obo:CHEBI_36357 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/CHEBI_36383 obo:CHEBI_36383 rdf:type owl:Class ; - rdfs:subClassOf , + rdfs:subClassOf , obo:CHEBI_24835 , obo:CHEBI_33579 , obo:CHEBI_36357 ; diff --git a/nmrCV.obo b/nmrCV.obo index 0ecd068..bd30a32 100644 --- a/nmrCV.obo +++ b/nmrCV.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrml.org/cv/2025-03-20/nmrCV.owl +data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -40,7 +40,7 @@ property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string -property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string +property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -51,7 +51,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-03-20" xsd:string +property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -60,9 +60,9 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl +property_value: owl:priorVersion nmrCV:v1.1.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-20" xsd:string +property_value: owl:versionInfo "2025-03-17" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string [Term] @@ -3099,7 +3099,7 @@ xref: Gmelin:463924 {source="Gmelin"} is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33579 ! main group molecular entity is_a: CHEBI:36357 ! polyatomic entity -is_a: NMR:0002000 ! 87Sr spectrum chemical shift reference compound +is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string @@ -5382,15 +5382,6 @@ name: EL++ ontology module is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string -[Term] -id: NMR:0002000 -name: 87Sr spectrum chemical shift reference compound -def: "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} -comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. -is_a: NMR:1400033 ! chemical shift reference compound -property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime - [Term] id: NMR:0002001 name: characterized compound @@ -10895,6 +10886,15 @@ id: NMR:1400321 name: Bruker WIN NMR format is_a: NMR:1400285 ! NMR software data format +[Term] +id: NMRCV:0002000 +name: 87Sr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime + [Term] id: OBI:0000011 name: planned process diff --git a/nmrCV.owl b/nmrCV.owl index 30c3768..3bc69ba 100644 --- a/nmrCV.owl +++ b/nmrCV.owl @@ -21,7 +21,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -32,13 +32,7 @@ Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. - -Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. - -The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. - -⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. + WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. @@ -49,7 +43,8 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of - 2025-03-20 + 2025-03-17 + This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -59,9 +54,9 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-20 + 2025-03-17 @@ -2082,25 +2077,6 @@ Some currently missing phenomena that should be considered "about" are - - - - - A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. - - 2025-02-17T15:49:36Z - This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. - 87Sr spectrum chemical shift reference compound - - - - - A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. - - - - - @@ -13088,6 +13064,25 @@ Line sharpening can be optimized during data acquisition or performed during dat + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. + + + + + @@ -22697,7 +22692,7 @@ Line sharpening can be optimized during data acquisition or performed during dat - + diff --git a/nmrCV.ttl b/nmrCV.ttl index 019e1c3..1691cce 100644 --- a/nmrCV.ttl +++ b/nmrCV.ttl @@ -21,7 +21,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -32,13 +32,7 @@ dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; - dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. - -Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. - -The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. - -⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; + dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; dcterms:contributor , , , @@ -49,7 +43,8 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of , , ; - dcterms:created "2025-03-20" ; + dcterms:created "2025-03-17"^^xsd:date ; + dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -59,9 +54,9 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-20" . + "2025-03-17" . ################################################################# # Annotation properties @@ -1594,23 +1589,6 @@ obo:RO_0010002 rdf:type owl:ObjectProperty ; # Classes ################################################################# -### http://nmrML.org/nmrCV#NMR:0002000 - rdf:type owl:Class ; - rdfs:subClassOf ; - obo:IAO_0000115 "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; - dcterms:contributor ; - dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; - rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; - rdfs:label "87Sr spectrum chemical shift reference compound"@en . - -[ rdf:type owl:Axiom ; - owl:annotatedSource ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; - dcterms:source - ] . - - ### http://nmrML.org/nmrCV#NMR:0002001 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 @@ -10293,6 +10271,23 @@ Line sharpening can be optimized during data acquisition or performed during dat rdfs:label "Bruker WIN NMR format" . +### http://nmrML.org/nmrCV#NMRCV:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + ### http://purl.obolibrary.org/obo/BFO_0000001 obo:BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; @@ -20478,7 +20473,7 @@ obo:CHEBI_36357 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/CHEBI_36383 obo:CHEBI_36383 rdf:type owl:Class ; - rdfs:subClassOf , + rdfs:subClassOf , obo:CHEBI_24835 , obo:CHEBI_33579 , obo:CHEBI_36357 ; diff --git a/src/ontology/imports/bfo_import.owl b/src/ontology/imports/bfo_import.owl index 13a2a47..ebf3740 100644 --- a/src/ontology/imports/bfo_import.owl +++ b/src/ontology/imports/bfo_import.owl @@ -7,10 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation( "2025-03-20") -Annotation(owl:versionInfo "2025-03-20") +Annotation(owl:versionInfo "2025-03-17") Declaration(Class()) Declaration(Class()) @@ -65,7 +64,6 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty(rdfs:isDefinedBy)) Declaration(AnnotationProperty(rdfs:seeAlso)) diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index 081f6c4..81f9a10 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,9 +7,8 @@ Prefix(rdfs:=) Ontology( - -Annotation( "2025-03-20") -Annotation(owl:versionInfo "2025-03-20") + +Annotation(owl:versionInfo "2025-03-17") Declaration(Class()) Declaration(Class()) @@ -202,7 +201,6 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) diff --git a/src/ontology/imports/iao_import.owl b/src/ontology/imports/iao_import.owl index 1469299..e30e2f9 100644 --- a/src/ontology/imports/iao_import.owl +++ b/src/ontology/imports/iao_import.owl @@ -7,10 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation( "2025-03-20") -Annotation(owl:versionInfo "2025-03-20") +Annotation(owl:versionInfo "2025-03-17") Declaration(Class()) Declaration(Class()) @@ -70,7 +69,6 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) ############################ # Annotation Properties diff --git a/src/ontology/imports/omo_import.owl b/src/ontology/imports/omo_import.owl index 735b213..732ce45 100644 --- a/src/ontology/imports/omo_import.owl +++ b/src/ontology/imports/omo_import.owl @@ -7,10 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation( "2025-03-20") -Annotation(owl:versionInfo "2025-03-20") +Annotation(owl:versionInfo "2025-03-17") Declaration(Class()) Declaration(Class()) diff --git a/src/ontology/imports/ro_import.owl b/src/ontology/imports/ro_import.owl index d7bedb1..4ff198a 100644 --- a/src/ontology/imports/ro_import.owl +++ b/src/ontology/imports/ro_import.owl @@ -7,10 +7,9 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation( "2025-03-20") -Annotation(owl:versionInfo "2025-03-20") +Annotation(owl:versionInfo "2025-03-17") Declaration(Class()) Declaration(Class()) @@ -68,7 +67,6 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) -Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) diff --git a/src/ontology/nmrCV-edit.owl b/src/ontology/nmrCV-edit.owl index bcfd802..fe6e6b0 100644 --- a/src/ontology/nmrCV-edit.owl +++ b/src/ontology/nmrCV-edit.owl @@ -1038,7 +1038,6 @@ AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(dcterms:created "2024-08-22T15:10:11Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "NMR calibration compound role"@en) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_51086) SubClassOf(Annotation(rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds."@en) Annotation(rdfs:isDefinedBy ) obo:CHEBI_51086) # Class: (NMR chemical shift calibration compound role) @@ -1048,7 +1047,6 @@ AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(dcterms:created "2024-08-22T15:12:21Z"^^xsd:dateTime) AnnotationAssertion(rdfs:label "NMR chemical shift calibration compound role"@en) -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf(Annotation(rdfs:comment "Manually asserted in nmrCV to have a more finegrained differentiation of the used calibration compounds.") Annotation(rdfs:isDefinedBy ) ) # Class: (NMR concentration calibration compound role) @@ -5376,7 +5374,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: An optional part of an NMR instrument used to hold samples prior to NMR analysis and that sequentially loads these samples into the analytical part of the NMR instrument. altdef: The autosampler is an automatic sample changer.") AnnotationAssertion(rdfs:label "NMR autosampler") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) +SubClassOf( obo:OBI_0000968) # Class: (multiplicity feature) @@ -5422,7 +5420,6 @@ SubClassOf( obo:OBI_0000968) AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(rdfs:comment "def: A Computer used for NMR, can be divided into central processing unit (CPU), consisting of instruction, interpretation and arithmetic unit plus fast access memory, and peripheral devices such as bulk data storage and input and output devices (including, via the interface, the spectrometer). Under software control, the computer controls the RF pulses and gradients necessary to acquire data, and process the data to produce spectra or images. Note that devices such as the spectrometer may themselves incorporate small computers.") AnnotationAssertion(rdfs:label "NMR acquisition computer") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( obo:OBI_0400107) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) @@ -5432,7 +5429,6 @@ AnnotationAssertion(obo:IAO_0000233 "def: Part of an NMR instrument that detects the signals emitted from a sample. No single probe can perform the full range of experiments, and probes that are designed to perform more than one type of measurement usually suffer from performance compromises. The probe represents a rather fragile “single point of failure” that can render an NMR system completely unusable if the probe is dropped or otherwise damaged. Probes are usually characterised by Sample diameter and Frequency. altdef: The instrument that transmits and recieves radiofrequency to and from the NMR sample.") AnnotationAssertion(rdfs:label "NMR probe") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( obo:OBI_0000832) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) @@ -5442,7 +5438,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: A component of an NMR instrument that controls the activities of the other components.") AnnotationAssertion(rdfs:label "NMR console") AnnotationAssertion(owl:versionInfo "TODO: same as or part of acquisition computer?") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) +SubClassOf( obo:OBI_0000968) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) # Class: (number of acquisition data points) @@ -6040,7 +6036,6 @@ AnnotationAssertion(doap:bug-database "http AnnotationAssertion(oboInOwl:hasExactSynonym "sample tube") AnnotationAssertion(rdfs:comment "sortal dimensions are Vendor, Size (Diameter, length), Material (glass, quarz, pyrex ...), Frequency, Concentricity, OD and ID") AnnotationAssertion(rdfs:label "NMR sample tube") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) SubClassOf( obo:OBI_0000836) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) @@ -6215,7 +6210,7 @@ AnnotationAssertion(obo:IAO_0000233 "def: A magnet which induces a certain frequency (MHz) and which has a certain bore diameter. altdef: The NMR signal is a natural physical property of the certain atomic nuclei but it can only be detected with an external magnetic field. A magnet is a fundamental part of an NMR instrument which induces an electromagnetic force field (RF pulse) and by this excites and aligns the spins of the electrons of the NMR acquisition nucleus. It is usually a big (superconducting) electromagnet which is cooled by liquid helium and can be adjusted to a frequency between 200 and 950 MHz. The magnetic field strength is measured in Tesla or Gauss.") AnnotationAssertion(rdfs:label "NMR magnet") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) +SubClassOf( obo:OBI_0000968) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) # Class: (Bruker NMR magnet) @@ -6350,7 +6345,7 @@ SubClassOf( ) AnnotationAssertion(rdfs:comment "defneed") AnnotationAssertion(rdfs:label "NMR tube washing system") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) +SubClassOf( obo:OBI_0000968) # Class: (Bruker AutoClean) @@ -6413,7 +6408,7 @@ SubClassOf( ObjectHasValue(obo:OBI_0000304 < AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(rdfs:comment "def: A NMR sample holder is the part of an NMR instrument, which carries the NMR probe,sample tube and the NMR sample.") AnnotationAssertion(rdfs:label "NMR sample holder") -SubClassOf(Annotation(oboInOwl:is_inferred "true") ) +SubClassOf( obo:OBI_0000968) SubClassOf( ObjectSomeValuesFrom(obo:BFO_0000050 )) # Class: (NMR software) @@ -6643,7 +6638,6 @@ AnnotationAssertion(obo:IAO_0000115 "A manu AnnotationAssertion(obo:IAO_0000233 ) AnnotationAssertion(rdfs:label "NMR device manufacturer"@en) EquivalentClasses( ObjectIntersectionOf(obo:OBI_0000835 ObjectSomeValuesFrom(obo:RO_0000087 ObjectIntersectionOf(obo:OBI_0000571 ObjectSomeValuesFrom(obo:BFO_0000054 ObjectIntersectionOf(obo:OBI_0000457 ObjectSomeValuesFrom(obo:OBI_0000299 ObjectSomeValuesFrom(obo:BFO_0000050 )))))))) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:OBI_0000835) # Class: (sample temperature information) @@ -6927,7 +6921,6 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_195173 ) -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_228364 ) SubClassOf(Annotation(rdfs:comment "\"chemical shift calibration compound role\" class was added as a grouping super class for \"NMR chemical shift reference compound\" which was imported from CHEBI due to the lack of fine classification of NMR roles in CHEBI. The same applies for the super class \"NMR calibration compound role\".") Annotation(rdfs:isDefinedBy ) obo:CHEBI_228364 ) # Class: obo:CHEBI_229454 (yttrium nitrate) @@ -7222,10 +7215,6 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_59606 ) - # Class: obo:CHEBI_63004 (sodium bromide) SubClassOf(obo:CHEBI_63004 ) @@ -7243,10 +7232,6 @@ SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63317 ) SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_63940 ) -# Class: obo:CHEBI_6636 (magnesium dichloride) - -SubClassOf(Annotation(oboInOwl:is_inferred "true") obo:CHEBI_6636 ) - # Class: obo:CHEBI_75215 (sodium molybdate (anhydrous)) SubClassOf(obo:CHEBI_75215 ) From f3abe32a563c59abbf90b771879955733b9878d3 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Thu, 20 Mar 2025 15:33:48 +0100 Subject: [PATCH 18/21] Fix OBI importing unused Uberon classes and no label for Homo Sapiens --- src/ontology/Makefile | 4 ++-- src/ontology/imports/obi_remove_list.txt | 4 +++- src/ontology/nmrCV-odk.yaml | 1 - src/ontology/nmrCV.Makefile | 2 +- 4 files changed, 6 insertions(+), 5 deletions(-) diff --git a/src/ontology/Makefile b/src/ontology/Makefile index 9032009..96681b1 100644 --- a/src/ontology/Makefile +++ b/src/ontology/Makefile @@ -10,7 +10,7 @@ # More information: https://github.com/INCATools/ontology-development-kit/ # Fingerprint of the configuration file when this Makefile was last generated -CONFIG_HASH= fd98f62cea8e98a347fcdcf420367f85a1508e39fd0bcd97b7b3b1b954831e0b +CONFIG_HASH= e3e373da6a8f656288b0bf7c48d1ae35bfdc5c21d342008ce5749271ea259d1d # ---------------------------------------- @@ -453,7 +453,7 @@ mirror-iao: | $(TMPDIR) .PRECIOUS: $(MIRRORDIR)/obi.owl mirror-obi: | $(TMPDIR) curl -L $(OBOBASE)/obi.owl --create-dirs -o $(TMPDIR)/obi-download.owl --retry 4 --max-time 200 && \ - $(ROBOT) remove -i $(TMPDIR)/obi-download.owl --base-iri $(OBOBASE)/OBI --axioms external --preserve-structure false --trim false -o $(TMPDIR)/$@.owl + $(ROBOT) convert -i $(TMPDIR)/obi-download.owl -o $(TMPDIR)/$@.owl ## ONTOLOGY: chebi diff --git a/src/ontology/imports/obi_remove_list.txt b/src/ontology/imports/obi_remove_list.txt index 65bc2db..82f68c2 100644 --- a/src/ontology/imports/obi_remove_list.txt +++ b/src/ontology/imports/obi_remove_list.txt @@ -31,4 +31,6 @@ IAO:0000310 NCBITaxon:10239 NCBITaxon:2 NCBITaxon:2157 -NCBITaxon:2759 \ No newline at end of file +NCBITaxon:2759 +UBERON:0000465 +UBERON:0000477 \ No newline at end of file diff --git a/src/ontology/nmrCV-odk.yaml b/src/ontology/nmrCV-odk.yaml index edca0e1..4bfb090 100644 --- a/src/ontology/nmrCV-odk.yaml +++ b/src/ontology/nmrCV-odk.yaml @@ -47,7 +47,6 @@ import_group: #- id: chmo #- id: pato - id: obi - make_base: true module_type: custom - id: chebi is_large: true diff --git a/src/ontology/nmrCV.Makefile b/src/ontology/nmrCV.Makefile index b762020..f7f2494 100644 --- a/src/ontology/nmrCV.Makefile +++ b/src/ontology/nmrCV.Makefile @@ -15,7 +15,7 @@ $(IMPORTDIR)/obi_import.owl: $(MIRRORDIR)/obi.owl $(IMPORTDIR)/obi_terms.txt if [ $(IMP) = true ]; then $(ROBOT) query -i $< --update ../sparql/preprocess-module.ru \ extract -T $(IMPORTDIR)/obi_terms.txt --force true --copy-ontology-annotations true --individuals exclude --method BOT \ query --update ../sparql/inject-subset-declaration.ru --update ../sparql/inject-synonymtype-declaration.ru --update ../sparql/postprocess-module.ru \ - remove -T $(IMPORTDIR)/obi_remove_list.txt --select "self descendants instances" --signature true \ + remove -T $(IMPORTDIR)/obi_remove_list.txt --select "self descendants instances" --exclude-term NCBITaxon:9606 --signature true \ $(ANNOTATE_CONVERT_FILE); fi From e5d2182e65089f9595d2c7081f388dfc1560b62e Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Thu, 20 Mar 2025 15:35:39 +0100 Subject: [PATCH 19/21] Deactivate reasoning step when refreshing ChEBI --- src/ontology/nmrCV.Makefile | 14 ++++++++------ 1 file changed, 8 insertions(+), 6 deletions(-) diff --git a/src/ontology/nmrCV.Makefile b/src/ontology/nmrCV.Makefile index f7f2494..d2691d2 100644 --- a/src/ontology/nmrCV.Makefile +++ b/src/ontology/nmrCV.Makefile @@ -29,10 +29,6 @@ $(IMPORTDIR)/obi_import.owl: $(MIRRORDIR)/obi.owl $(IMPORTDIR)/obi_terms.txt # If other axioms are needed in the future the nmrCV editors need to make sure to include the needed object properties # and classes used in these, which is quite a time consuming task, but needed, as ROBOT extract pulls in too much # and the CHEBI module would otherwise be too big to load. -# Since we also define classes based on the roles borne by some CHEBI terms, e.g. a 'chemical shift reference compound' -# is equivalent to "'molecular entity' and ('has role' some ''NMR chemical shift reference compound [role]')" -# we additionally run a reasoning step to materialize the subclassOf axioms needed to group these CHEBI terms under -# the classes we define. $(IMPORTDIR)/chebi_import.owl: $(MIRRORDIR)/chebi.owl $(IMPORTDIR)/chebi_terms_combined.txt if [ $(IMP) = true ] && [ $(IMP_LARGE) = true ]; then $(ROBOT) \ @@ -43,5 +39,11 @@ $(IMPORTDIR)/chebi_import.owl: $(MIRRORDIR)/chebi.owl $(IMPORTDIR)/chebi_terms_c query --update ../sparql/inject-subset-declaration.ru --update ../sparql/inject-synonymtype-declaration.ru \ --update ../sparql/postprocess-module.ru \ $(ANNOTATE_CONVERT_FILE); fi - $(ROBOT) reason --reasoner ELK -i $(SRC) --exclude-duplicate-axioms true --exclude-tautologies all --equivalent-classes-allowed asserted-only \ - --annotate-inferred-axioms true --axiom-generators "SubClass" convert -f ofn --output $(SRC) \ No newline at end of file + + +# Since we also define classes based on the roles borne by some CHEBI terms, e.g. a 'chemical shift reference compound' +# is equivalent to "'molecular entity' and ('has role' some ''NMR chemical shift reference compound [role]')" +# we manually run a reasoning step to materialize the subclassOf axioms needed to group these CHEBI terms under +# the classes we define. +# $(ROBOT) reason --reasoner ELK -i $(SRC) --exclude-tautologies all --equivalent-classes-allowed asserted-only \ +# --annotate-inferred-axioms true --axiom-generators "SubClass" convert -f ofn --output $(SRC) \ No newline at end of file From dace40140c56ddf8d14eaf29f9025387d5741572 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Fri, 21 Mar 2025 09:37:40 +0100 Subject: [PATCH 20/21] Regenerate all artefacts --- nmrCV-base.obo | 10 +- nmrCV-base.owl | 40 +- nmrCV-base.ttl | 29 +- nmrCV-full.obo | 142 +++-- nmrCV-full.owl | 491 ++++++++++++----- nmrCV-full.ttl | 384 +++++++++---- nmrCV.obo | 142 +++-- nmrCV.owl | 493 ++++++++++++----- nmrCV.ttl | 384 +++++++++---- src/ontology/imports/bfo_import.owl | 6 +- src/ontology/imports/chebi_import.owl | 6 +- src/ontology/imports/iao_import.owl | 6 +- src/ontology/imports/obi_import.owl | 750 ++++++++++++++++++++++++-- src/ontology/imports/omo_import.owl | 5 +- src/ontology/imports/ro_import.owl | 6 +- 15 files changed, 2178 insertions(+), 716 deletions(-) diff --git a/nmrCV-base.obo b/nmrCV-base.obo index e4d3520..b3ff645 100644 --- a/nmrCV-base.obo +++ b/nmrCV-base.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-base.owl +data-version: http://nmrml.org/cv/2025-03-20/nmrCV-base.owl idspace: dce http://purl.org/dc/elements/1.1/ idspace: dcterms http://purl.org/dc/terms/ idspace: doap http://usefulinc.com/ns/doap# @@ -18,7 +18,7 @@ property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string property_value: dce:type IAO:8000001 -property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -29,7 +29,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:created "2025-03-20" xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -38,8 +38,8 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion nmrCV:v1.1.owl +property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: owl:versionInfo "2025-03-20" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string diff --git a/nmrCV-base.owl b/nmrCV-base.owl index d64fefc..f501cf8 100644 --- a/nmrCV-base.owl +++ b/nmrCV-base.owl @@ -15,7 +15,7 @@ xmlns:dcterms="http://purl.org/dc/terms/" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -27,7 +27,13 @@ access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. @@ -38,8 +44,7 @@ access nmrML XML format developed by the COSMOS EU project. - 2025-03-17 - This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + 2025-03-20 https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -49,9 +54,9 @@ access nmrML XML format developed by the COSMOS EU project. https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-17 + 2025-03-20 @@ -109,12 +114,6 @@ access nmrML XML format developed by the COSMOS EU project. - - - - - - @@ -166,23 +165,6 @@ access nmrML XML format developed by the COSMOS EU project. - - - - - - - - - - - diff --git a/nmrCV-base.ttl b/nmrCV-base.ttl index 28f3975..438f05f 100644 --- a/nmrCV-base.ttl +++ b/nmrCV-base.ttl @@ -15,7 +15,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -27,7 +27,13 @@ access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; dce:type obo:IAO_8000001 ; - dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; dcterms:contributor , , , @@ -38,8 +44,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; , , ; - dcterms:created "2025-03-17"^^xsd:date ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:created "2025-03-20" ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -49,9 +54,9 @@ access nmrML XML format developed by the COSMOS EU project.""" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-17" . + "2025-03-20" . ################################################################# # Annotation properties @@ -85,10 +90,6 @@ dcterms:contributor rdf:type owl:AnnotationProperty . dcterms:created rdf:type owl:AnnotationProperty . -### http://purl.org/dc/terms/description -dcterms:description rdf:type owl:AnnotationProperty . - - ### http://purl.org/dc/terms/license dcterms:license rdf:type owl:AnnotationProperty . @@ -125,12 +126,4 @@ doap:location rdf:type owl:AnnotationProperty . doap:maintainer rdf:type owl:AnnotationProperty . -################################################################# -# Datatypes -################################################################# - -### http://www.w3.org/2001/XMLSchema#date -xsd:date rdf:type rdfs:Datatype . - - ### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV-full.obo b/nmrCV-full.obo index 399eabc..6b3eb95 100644 --- a/nmrCV-full.obo +++ b/nmrCV-full.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV-full.owl +data-version: http://nmrml.org/cv/2025-03-20/nmrCV-full.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -29,6 +29,8 @@ idspace: foaf http://xmlns.com/foaf/0.1/ idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# idspace: protege http://protege.stanford.edu/plugins/owl/protege# idspace: skos http://www.w3.org/2004/02/skos/core# +idspace: swrl http://www.w3.org/2003/11/swrl# +idspace: swrlb http://www.w3.org/2003/11/swrlb# idspace: vann http://purl.org/vocab/vann/ ontology: http://nmrML.org/nmrCV/nmrCV-full.owl property_value: dce:contributor "Chris Taylor" xsd:string @@ -40,7 +42,7 @@ property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string -property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -51,7 +53,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:created "2025-03-20" xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -60,9 +62,9 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion nmrCV:v1.1.owl +property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: owl:versionInfo "2025-03-20" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string [Term] @@ -82,6 +84,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant +def: "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts." [] is_a: BFO:0000001 ! entity disjoint_from: BFO:0000003 ! occurrent property_value: BFO:0000179 "continuant" xsd:string @@ -101,6 +104,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent +def: "An entity that has temporal parts and that happens, unfolds or develops through time." [] is_a: BFO:0000001 ! entity property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string @@ -119,8 +123,10 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000004 name: independent continuant def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} +comment: A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant +disjoint_from: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000031 ! generically dependent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string @@ -214,6 +220,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000015 name: process def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} +comment: An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string @@ -249,6 +256,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity +def: "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances." [] is_a: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000019 ! quality property_value: BFO:0000179 "realizable" xsd:string @@ -296,7 +304,9 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000020 name: specifically dependent continuant +def: "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/131-004"} def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} +comment: A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000031 ! generically dependent continuant property_value: BFO:0000179 "sdc" xsd:string @@ -313,12 +323,14 @@ property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the shape of this hole." xsd:string property_value: IAO:0000112 "the smell of this portion of mozzarella" xsd:string property_value: IAO:0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc." xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000005", comment="per discussion with Barry Smith"} +property_value: IAO:0000602 "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/131-004"} property_value: IAO:0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000023 name: role +def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "role" xsd:string property_value: BFO:0000180 "Role" xsd:string @@ -457,6 +469,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000031 name: generically dependent continuant def: "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} +comment: A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. is_a: BFO:0000002 ! continuant property_value: BFO:0000179 "gdc" xsd:string property_value: BFO:0000180 "GenericallyDependentContinuant" xsd:string @@ -509,10 +522,12 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity +def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant disjoint_from: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "material" xsd:string property_value: BFO:0000180 "MaterialEntity" xsd:string +property_value: IAO:0000111 "material entity" xsd:string property_value: IAO:0000112 "a flame" xsd:string property_value: IAO:0000112 "a forest fire" xsd:string property_value: IAO:0000112 "a human being" xsd:string @@ -528,6 +543,7 @@ property_value: IAO:0000112 "the undetached arm of a human being" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity." xsd:string property_value: IAO:0000116 "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here." xsd:string +property_value: IAO:0000412 http://purl.obolibrary.org/obo/ido.owl property_value: IAO:0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])" xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: IAO:0000601 "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])" xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])" xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} @@ -3099,7 +3115,7 @@ xref: Gmelin:463924 {source="Gmelin"} is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33579 ! main group molecular entity is_a: CHEBI:36357 ! polyatomic entity -is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound +is_a: NMR:0002000 ! 87Sr spectrum chemical shift reference compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string @@ -5382,6 +5398,24 @@ name: EL++ ontology module is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string +[Term] +id: NCBITaxon:9606 +name: Homo sapiens +is_a: OBI:0100026 ! organism +property_value: IAO:0000111 "Homo sapiens" xsd:string +property_value: IAO:0000118 "human" xsd:string +property_value: IAO:0000118 "human being" xsd:string +property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl + +[Term] +id: NMR:0002000 +name: 87Sr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime + [Term] id: NMR:0002001 name: characterized compound @@ -10886,15 +10920,6 @@ id: NMR:1400321 name: Bruker WIN NMR format is_a: NMR:1400285 ! NMR software data format -[Term] -id: NMRCV:0002000 -name: 87Sr spectrum chemical shift reference compound -def: "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} -comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. -is_a: NMR:1400033 ! chemical shift reference compound -property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime - [Term] id: OBI:0000011 name: planned process @@ -10930,7 +10955,6 @@ def: "A planned process which results in physical changes in a specified input m is_a: OBI:0000011 ! planned process relationship: OBI:0000293 BFO:0000040 {all_only="true"} ! has specified input material entity relationship: OBI:0000299 OBI:0000047 ! has specified output processed material -relationship: OBI:0000417 OBI:0000456 ! achieves_planned_objective material transformation objective property_value: IAO:0000111 "material processing" xsd:string property_value: IAO:0000112 "A cell lysis, production of a cloning vector, creating a buffer." xsd:string property_value: IAO:0000114 IAO:0000122 @@ -11008,29 +11032,12 @@ property_value: IAO:0000117 "PERSON: Daniel Schober" xsd:string property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -[Term] -id: OBI:0000456 -name: material transformation objective -def: "an objective specifiction that creates an specific output object from input materials." [] -is_a: IAO:0000005 ! objective specification -property_value: IAO:0000111 "material transformation objective" xsd:string -property_value: IAO:0000112 "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string -property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000118 "artifact creation objective" xsd:string -property_value: IAO:0000119 "GROUP: OBI PlanAndPlannedProcess Branch" xsd:string - [Term] id: OBI:0000457 name: manufacturing def: "A planned process with the objective to produce a processed material which will have a function for future use." [] is_a: OBI:0000094 ! material processing relationship: OBI:0000293 BFO:0000040 ! has specified input material entity -relationship: OBI:0000417 OBI:0000458 ! achieves_planned_objective manufacturing objective property_value: IAO:0000111 "manufacturing" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000116 "A person or organization (having manufacturer role) is a participant in this process" xsd:string @@ -11043,20 +11050,6 @@ property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string property_value: IAO:0000119 "GROUP: OBI PlanAndPlannedProcess Branch" xsd:string -[Term] -id: OBI:0000458 -name: manufacturing objective -def: "is the objective to manufacture a material of a certain function (device)" [] -is_a: OBI:0000456 ! material transformation objective -property_value: IAO:0000111 "manufacturing objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string -property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000119 "GROUP: OBI PlanAndPlannedProcess Branch" xsd:string - [Term] id: OBI:0000522 name: vial @@ -11072,6 +11065,7 @@ id: OBI:0000571 name: manufacturer role def: "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process." [] is_a: BFO:0000023 ! role +relationship: BFO:0000054 OBI:0000457 {all_only="true"} ! realized in manufacturing property_value: IAO:0000111 "manufacturer role" xsd:string property_value: IAO:0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." xsd:string property_value: IAO:0000114 IAO:0000123 @@ -11321,7 +11315,6 @@ property_value: IAO:0000117 "BP, AR, PPPB branch" xsd:string property_value: IAO:0000119 "PPPB branch derived" xsd:string property_value: IAO:0000232 "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch" xsd:string domain: OBI:0000011 ! planned process -range: IAO:0000005 ! objective specification inverse_of: OBI:0000833 ! objective_achieved_by [Typedef] @@ -11332,9 +11325,18 @@ property_value: IAO:0000111 "objective_achieved_by" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "OBI" xsd:string property_value: IAO:0000119 "OBI" xsd:string -domain: IAO:0000005 ! objective specification range: OBI:0000011 ! planned process +[Typedef] +id: OBI:0001938 +name: has value specification +def: "A relation between an information content entity and a value specification that specifies its value." [] +property_value: IAO:0000111 "has value specification" xsd:string +property_value: IAO:0000114 IAO:0000120 +property_value: IAO:0000117 "PERSON: James A. Overton" xsd:string +property_value: IAO:0000119 "OBI" xsd:string +is_a: has_part ! has part + [Typedef] id: RO:0000052 name: characteristic of @@ -11395,17 +11397,21 @@ holds_over_chain: has_part RO:0000057 id: RO:0000058 name: is concretized as def: "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes." [] +def: "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants." [] property_value: IAO:0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)." xsd:string property_value: IAO:0000112 "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)." xsd:string domain: BFO:0000031 ! generically dependent continuant +range: BFO:0000020 ! specifically dependent continuant inverse_of: RO:0000059 ! concretizes [Typedef] id: RO:0000059 name: concretizes +def: "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant." [] def: "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant." [] property_value: IAO:0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)." xsd:string property_value: IAO:0000112 "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)." xsd:string +domain: BFO:0000020 ! specifically dependent continuant range: BFO:0000031 ! generically dependent continuant [Typedef] @@ -11421,6 +11427,18 @@ domain: BFO:0000034 ! function is_a: RO:0000052 ! characteristic of inverse_of: RO:0000085 ! has function +[Typedef] +id: RO:0000080 +name: quality of +def: "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence" [] +comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. +property_value: IAO:0000112 "this red color is a quality of this apple" xsd:string +property_value: IAO:0000116 "A quality inheres in its bearer at all times for which the quality exists." xsd:string +property_value: IAO:0000118 "is quality of" xsd:string +property_value: IAO:0000118 "quality_of" xsd:string +is_a: RO:0000052 ! characteristic of +inverse_of: RO:0000086 ! has quality + [Typedef] id: RO:0000081 name: role of @@ -11444,6 +11462,31 @@ domain: BFO:0000004 ! independent continuant range: BFO:0000034 ! function is_a: RO:0000053 ! has characteristic +[Typedef] +id: RO:0000086 +name: has quality +def: "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence" [] +property_value: IAO:0000112 "this apple has quality this red color" xsd:string +property_value: IAO:0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist." xsd:string +property_value: IAO:0000118 "has_quality" xsd:string +range: BFO:0000019 ! quality +is_a: RO:0000053 ! has characteristic + +[Typedef] +id: RO:0000091 +name: has disposition +def: "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence" [] +domain: BFO:0000004 ! independent continuant +range: BFO:0000016 ! disposition +is_a: RO:0000053 ! has characteristic +inverse_of: RO:0000092 ! disposition of + +[Typedef] +id: RO:0000092 +name: disposition of +comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. +is_a: RO:0000052 ! characteristic of + [Typedef] id: RO:0002131 name: overlaps @@ -11554,6 +11597,7 @@ property_value: IAO:0000116 "Everything has itself as a part. Any part of any pa property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string property_value: IAO:0000118 "has_part" xsd:string +property_value: IAO:0000412 http://purl.obolibrary.org/obo/iao.owl property_value: RO:0001900 RO:0001901 is_cyclic: false is_transitive: true diff --git a/nmrCV-full.owl b/nmrCV-full.owl index 9fe5dac..ef716f4 100644 --- a/nmrCV-full.owl +++ b/nmrCV-full.owl @@ -11,8 +11,10 @@ xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" + xmlns:swrl="http://www.w3.org/2003/11/swrl#" xmlns:vann="http://purl.org/vocab/vann/" xmlns:chebi="http://purl.obolibrary.org/obo/chebi/" + xmlns:swrlb="http://www.w3.org/2003/11/swrlb#" xmlns:chebi1="http://purl.obolibrary.org/obo/chebi#" xmlns:chebi2="http://purl.obolibrary.org/obo/chebi#2" xmlns:chebi3="http://purl.obolibrary.org/obo/chebi#3" @@ -21,7 +23,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -32,7 +34,13 @@ Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. @@ -43,8 +51,7 @@ access nmrML XML format developed by the COSMOS EU project. - 2025-03-17 - This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + 2025-03-20 https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -54,9 +61,9 @@ access nmrML XML format developed by the COSMOS EU project. https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-17 + 2025-03-20 @@ -1515,6 +1522,7 @@ A continuant cannot be part of an occurrent: use 'participates in'. An A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part + BFO:0000051 chebi_ontology @@ -1679,7 +1687,6 @@ Some currently missing phenomena that should be considered "about" are - achieves_planned_objective A cell sorting process achieves the objective specification 'material separation objective' @@ -1695,7 +1702,6 @@ Some currently missing phenomena that should be considered "about" are - objective_achieved_by @@ -1707,6 +1713,20 @@ Some currently missing phenomena that should be considered "about" are + + + + + has value specification + + A relation between an information content entity and a value specification that specifies its value. + PERSON: James A. Overton + OBI + has value specification + + + + @@ -1792,6 +1812,7 @@ Some currently missing phenomena that should be considered "about" are + @@ -1803,6 +1824,7 @@ Some currently missing phenomena that should be considered "about" are A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes. + A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants. is concretized as @@ -1811,6 +1833,7 @@ Some currently missing phenomena that should be considered "about" are + @@ -1822,6 +1845,7 @@ Some currently missing phenomena that should be considered "about" are A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). + A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant. concretizes @@ -1845,6 +1869,22 @@ Some currently missing phenomena that should be considered "about" are + + + + + + this red color is a quality of this apple + a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence + A quality inheres in its bearer at all times for which the quality exists. + is quality of + quality_of + This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. + quality of + + + + @@ -1876,6 +1916,20 @@ Some currently missing phenomena that should be considered "about" are + + + + + + this apple has quality this red color + a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence + A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. + has_quality + has quality + + + + @@ -1898,6 +1952,29 @@ Some currently missing phenomena that should be considered "about" are + + + + + + + + a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence + has disposition + + + + + + + + + This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. + disposition of + + + + @@ -2077,6 +2154,25 @@ Some currently missing phenomena that should be considered "about" are + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + + + + @@ -13064,25 +13160,6 @@ Line sharpening can be optimized during data acquisition or performed during dat - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - 2025-02-17T15:49:36Z - This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. - 87Sr spectrum chemical shift reference compound - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - - - - @@ -13129,6 +13206,7 @@ Line sharpening can be optimized during data acquisition or performed during dat continuant Continuant + An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) @@ -13211,6 +13289,7 @@ Line sharpening can be optimized during data acquisition or performed during dat occurrent Occurrent + An entity that has temporal parts and that happens, unfolds or develops through time. BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. @@ -13293,6 +13372,7 @@ Line sharpening can be optimized during data acquisition or performed during dat (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] + A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. independent continuant @@ -13582,6 +13662,7 @@ Line sharpening can be optimized during data acquisition or performed during dat p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] + An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. process @@ -13658,6 +13739,7 @@ Line sharpening can be optimized during data acquisition or performed during dat the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet + A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] @@ -13783,12 +13865,21 @@ Line sharpening can be optimized during data acquisition or performed during dat the role of being a doctor the shape of this hole. the smell of this portion of mozzarella + b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. + (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] + A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. specifically dependent continuant + + + + b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) + + @@ -13802,6 +13893,12 @@ Line sharpening can be optimized during data acquisition or performed during dat per discussion with Barry Smith + + + + (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] + + @@ -13824,6 +13921,7 @@ Line sharpening can be optimized during data acquisition or performed during dat the role of a stone in marking a property boundary the role of subject in a clinical trial the student role + A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] @@ -14082,6 +14180,7 @@ Line sharpening can be optimized during data acquisition or performed during dat the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] + A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. generically dependent continuant @@ -14207,6 +14306,7 @@ Line sharpening can be optimized during data acquisition or performed during dat material MaterialEntity + material entity a flame a forest fire a human being @@ -14219,9 +14319,11 @@ Line sharpening can be optimized during data acquisition or performed during dat an energy wave an epidemic the undetached arm of a human being + An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. + A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) @@ -19436,6 +19538,18 @@ Line sharpening can be optimized during data acquisition or performed during dat lanthanum trichloride + + + + PMID:35661286 + Europe PMC + + + + + PMID:35727352 + Europe PMC + @@ -19575,18 +19689,6 @@ Line sharpening can be optimized during data acquisition or performed during dat PMID:35303612 Europe PMC - - - - PMID:35661286 - Europe PMC - - - - - PMID:35727352 - Europe PMC - @@ -22692,7 +22794,7 @@ Line sharpening can be optimized during data acquisition or performed during dat - + @@ -29679,36 +29781,21 @@ No imports - + + + Homo sapiens + human + human being + + Homo sapiens + - - - - - - - - - - - - - - - - - - - - - - planned process Injecting mice with a vaccine in order to test its efficacy @@ -29759,12 +29846,6 @@ objectives is a planned process. - - - - - - @@ -29772,12 +29853,6 @@ objectives is a planned process. - - - - - - @@ -29932,35 +30007,9 @@ for now. - - - - - material transformation objective - The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS. - - an objective specifiction that creates an specific output object from input materials. - PERSON: Bjoern Peters - PERSON: Frank Gibson - PERSON: Jennifer Fostel - PERSON: Melanie Courtot - PERSON: Philippe Rocca-Serra - artifact creation objective - GROUP: OBI PlanAndPlannedProcess Branch - material transformation objective - - - - - - - - - - @@ -29968,12 +30017,6 @@ for now. - - - - - - manufacturing A planned process with the objective to produce a processed material which will have a function for future use. @@ -29991,24 +30034,6 @@ for now. - - - - - manufacturing objective - - is the objective to manufacture a material of a certain function (device) - PERSON: Bjoern Peters - PERSON: Frank Gibson - PERSON: Jennifer Fostel - PERSON: Melanie Courtot - PERSON: Philippe Rocca-Serra - GROUP: OBI PlanAndPlannedProcess Branch - manufacturing objective - - - - @@ -30040,6 +30065,12 @@ for now. + + + + + + manufacturer role With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role. @@ -30242,18 +30273,6 @@ This issue is outside the scope of OBI. - - - - - - - - - - - - @@ -31295,6 +31314,7 @@ This issue is outside the scope of OBI. organizational term Term created to ease viewing/sort terms for development purpose, and will not be included in a release + PERSON:Alan Ruttenberg organizational term @@ -31607,6 +31627,14 @@ This issue is outside the scope of OBI. + + + + + + + + @@ -31629,6 +31657,195 @@ This issue is outside the scope of OBI. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/nmrCV-full.ttl b/nmrCV-full.ttl index 5f4fb9f..930e89c 100644 --- a/nmrCV-full.ttl +++ b/nmrCV-full.ttl @@ -9,8 +9,10 @@ @prefix foaf: . @prefix rdfs: . @prefix skos: . +@prefix swrl: . @prefix vann: . @prefix chebi: . +@prefix swrlb: . @prefix chebi1: . @prefix chebi2: . @prefix chebi3: . @@ -21,7 +23,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -32,7 +34,13 @@ dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; - dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; dcterms:contributor , , , @@ -43,8 +51,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; , , ; - dcterms:created "2025-03-17"^^xsd:date ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:created "2025-03-20" ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -54,9 +61,9 @@ access nmrML XML format developed by the COSMOS EU project.""" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-17" . + "2025-03-20" . ################################################################# # Annotation properties @@ -1134,6 +1141,7 @@ obo:BFO_0000051 rdf:type owl:ObjectProperty ; A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'."""@en ; obo:IAO_0000118 "has_part"@en ; + obo:IAO_0000412 obo:iao.owl ; obo:RO_0001900 obo:RO_0001901 ; oboInOwl:hasDbXref "BFO:0000051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; @@ -1271,7 +1279,6 @@ obo:OBI_0000312 rdf:type owl:ObjectProperty ; obo:OBI_0000417 rdf:type owl:ObjectProperty ; owl:inverseOf obo:OBI_0000833 ; rdfs:domain obo:OBI_0000011 ; - rdfs:range obo:IAO_0000005 ; obo:IAO_0000111 "achieves_planned_objective" ; obo:IAO_0000112 "A cell sorting process achieves the objective specification 'material separation objective'" ; obo:IAO_0000114 obo:IAO_0000120 ; @@ -1284,7 +1291,6 @@ obo:OBI_0000417 rdf:type owl:ObjectProperty ; ### http://purl.obolibrary.org/obo/OBI_0000833 obo:OBI_0000833 rdf:type owl:ObjectProperty ; - rdfs:domain obo:IAO_0000005 ; rdfs:range obo:OBI_0000011 ; obo:IAO_0000111 "objective_achieved_by" ; obo:IAO_0000114 obo:IAO_0000122 ; @@ -1294,6 +1300,17 @@ obo:OBI_0000833 rdf:type owl:ObjectProperty ; rdfs:label "objective_achieved_by" . +### http://purl.obolibrary.org/obo/OBI_0001938 +obo:OBI_0001938 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:BFO_0000051 ; + obo:IAO_0000111 "has value specification" ; + obo:IAO_0000114 obo:IAO_0000120 ; + obo:IAO_0000115 "A relation between an information content entity and a value specification that specifies its value."@en ; + obo:IAO_0000117 "PERSON: James A. Overton" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "has value specification" . + + ### http://purl.obolibrary.org/obo/RO_0000052 obo:RO_0000052 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002314 ; @@ -1364,20 +1381,23 @@ obo:RO_0000057 rdf:type owl:ObjectProperty ; obo:RO_0000058 rdf:type owl:ObjectProperty ; owl:inverseOf obo:RO_0000059 ; rdfs:domain obo:BFO_0000031 ; - rdfs:range [ rdf:type owl:Class ; + rdfs:range obo:BFO_0000020 , + [ rdf:type owl:Class ; owl:unionOf ( obo:BFO_0000015 obo:BFO_0000020 ) ] ; obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; - obo:IAO_0000115 "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en ; + obo:IAO_0000115 "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en , + "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en ; rdfs:label "is concretized as"@en . ### http://purl.obolibrary.org/obo/RO_0000059 obo:RO_0000059 rdf:type owl:ObjectProperty ; - rdfs:domain [ rdf:type owl:Class ; + rdfs:domain obo:BFO_0000020 , + [ rdf:type owl:Class ; owl:unionOf ( obo:BFO_0000015 obo:BFO_0000020 ) @@ -1385,7 +1405,8 @@ obo:RO_0000059 rdf:type owl:ObjectProperty ; rdfs:range obo:BFO_0000031 ; obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; - obo:IAO_0000115 "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant."@en ; + obo:IAO_0000115 "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en , + "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant."@en ; rdfs:label "concretizes"@en . @@ -1403,6 +1424,19 @@ obo:RO_0000079 rdf:type owl:ObjectProperty ; rdfs:label "function of"@en . +### http://purl.obolibrary.org/obo/RO_0000080 +obo:RO_0000080 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000052 ; + owl:inverseOf obo:RO_0000086 ; + obo:IAO_0000112 "this red color is a quality of this apple"@en ; + obo:IAO_0000115 "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en ; + obo:IAO_0000116 "A quality inheres in its bearer at all times for which the quality exists."@en ; + obo:IAO_0000118 "is quality of"@en , + "quality_of"@en ; + rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; + rdfs:label "quality of"@en . + + ### http://purl.obolibrary.org/obo/RO_0000081 obo:RO_0000081 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000052 ; @@ -1428,6 +1462,17 @@ obo:RO_0000085 rdf:type owl:ObjectProperty ; rdfs:label "has function"@en . +### http://purl.obolibrary.org/obo/RO_0000086 +obo:RO_0000086 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000053 ; + rdfs:range obo:BFO_0000019 ; + obo:IAO_0000112 "this apple has quality this red color"@en ; + obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en ; + obo:IAO_0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en ; + obo:IAO_0000118 "has_quality"@en ; + rdfs:label "has quality"@en . + + ### http://purl.obolibrary.org/obo/RO_0000087 obo:RO_0000087 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000053 ; @@ -1447,6 +1492,23 @@ obo:RO_0000087 rdf:type owl:ObjectProperty ; "has role"@en . +### http://purl.obolibrary.org/obo/RO_0000091 +obo:RO_0000091 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000053 ; + owl:inverseOf obo:RO_0000092 ; + rdfs:domain obo:BFO_0000004 ; + rdfs:range obo:BFO_0000016 ; + obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence"@en ; + rdfs:label "has disposition"@en . + + +### http://purl.obolibrary.org/obo/RO_0000092 +obo:RO_0000092 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000052 ; + rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; + rdfs:label "disposition of"@en . + + ### http://purl.obolibrary.org/obo/RO_0002131 obo:RO_0002131 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002323 ; @@ -1589,6 +1651,23 @@ obo:RO_0010002 rdf:type owl:ObjectProperty ; # Classes ################################################################# +### http://nmrML.org/nmrCV#NMR:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + ### http://nmrML.org/nmrCV#NMR:0002001 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 @@ -10271,23 +10350,6 @@ Line sharpening can be optimized during data acquisition or performed during dat rdfs:label "Bruker WIN NMR format" . -### http://nmrML.org/nmrCV#NMRCV:0002000 - rdf:type owl:Class ; - rdfs:subClassOf ; - obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:contributor ; - dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; - rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; - rdfs:label "87Sr spectrum chemical shift reference compound"@en . - -[ rdf:type owl:Axiom ; - owl:annotatedSource ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:source - ] . - - ### http://purl.obolibrary.org/obo/BFO_0000001 obo:BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; @@ -10330,6 +10392,7 @@ obo:BFO_0000002 rdf:type owl:Class ; ] ; obo:BFO_0000179 "continuant" ; obo:BFO_0000180 "Continuant" ; + obo:IAO_0000115 "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en ; obo:IAO_0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; obo:IAO_0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; @@ -10416,6 +10479,7 @@ obo:BFO_0000003 rdf:type owl:Class ; ] ; obo:BFO_0000179 "occurrent" ; obo:BFO_0000180 "Occurrent" ; + obo:IAO_0000115 "An entity that has temporal parts and that happens, unfolds or develops through time."@en ; obo:IAO_0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , @@ -10502,6 +10566,7 @@ obo:BFO_0000004 rdf:type owl:Class ; obo:IAO_0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; + rdfs:comment "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "independent continuant"@en . @@ -10806,6 +10871,7 @@ obo:BFO_0000015 rdf:type owl:Class ; obo:IAO_0000115 "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; obo:IAO_0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; obo:IAO_0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; + rdfs:comment "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "process"@en . @@ -10882,6 +10948,7 @@ obo:BFO_0000017 rdf:type owl:Class ; "the function of your reproductive organs"@en , "the role of being a doctor"@en , "the role of this boundary to delineate where Utah and Colorado meet"@en ; + obo:IAO_0000115 "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en ; obo:IAO_0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; obo:IAO_0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; obo:IAO_0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , @@ -11008,12 +11075,22 @@ obo:BFO_0000020 rdf:type owl:Class ; "the role of being a doctor"@en , "the shape of this hole."@en , "the smell of this portion of mozzarella"@en ; - obo:IAO_0000115 "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; + obo:IAO_0000115 "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en , + "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; obo:IAO_0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; - obo:IAO_0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + obo:IAO_0000602 "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " , + "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + rdfs:comment "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "specifically dependent continuant"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en ; + obo:IAO_0010000 + ] . + [ rdf:type owl:Axiom ; owl:annotatedSource obo:BFO_0000020 ; owl:annotatedProperty obo:IAO_0000115 ; @@ -11029,6 +11106,13 @@ obo:BFO_0000020 rdf:type owl:Class ; rdfs:comment "per discussion with Barry Smith" ] . +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " ; + obo:IAO_0010000 + ] . + [ rdf:type owl:Axiom ; owl:annotatedSource obo:BFO_0000020 ; owl:annotatedProperty obo:IAO_0000602 ; @@ -11049,6 +11133,7 @@ obo:BFO_0000023 rdf:type owl:Class ; "the role of a stone in marking a property boundary"@en , "the role of subject in a clinical trial"@en , "the student role"@en ; + obo:IAO_0000115 "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en ; obo:IAO_0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; obo:IAO_0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; obo:IAO_0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; @@ -11302,6 +11387,7 @@ obo:BFO_0000031 rdf:type owl:Class ; "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; obo:IAO_0000115 "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; obo:IAO_0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; + rdfs:comment "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "generically dependent continuant"@en . @@ -11425,6 +11511,7 @@ obo:BFO_0000040 rdf:type owl:Class ; owl:disjointWith obo:BFO_0000141 ; obo:BFO_0000179 "material" ; obo:BFO_0000180 "MaterialEntity" ; + obo:IAO_0000111 "material entity"@en ; obo:IAO_0000112 "a flame"@en , "a forest fire"@en , "a human being"@en , @@ -11437,9 +11524,11 @@ obo:BFO_0000040 rdf:type owl:Class ; "an energy wave"@en , "an epidemic"@en , "the undetached arm of a human being"@en ; + obo:IAO_0000115 "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en ; obo:IAO_0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en ; + obo:IAO_0000412 obo:ido.owl ; obo:IAO_0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; obo:IAO_0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; @@ -16855,6 +16944,21 @@ obo:CHEBI_231514 rdf:type owl:Class ; oboInOwl:inSubset chebi3:_STAR ; rdfs:label "caesium nitrate" . +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "caesium nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CsNO3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + [ rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_231514 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; @@ -16925,21 +17029,6 @@ obo:CHEBI_231514 rdf:type owl:Class ; oboInOwl:source "Europe PMC" ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:CHEBI_231514 ; - owl:annotatedProperty oboInOwl:hasExactSynonym ; - owl:annotatedTarget "caesium nitrate" ; - oboInOwl:hasDbXref "IUPAC" ; - oboInOwl:hasSynonymType chebi1:IUPAC_NAME - ] . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:CHEBI_231514 ; - owl:annotatedProperty oboInOwl:hasRelatedSynonym ; - owl:annotatedTarget "CsNO3" ; - oboInOwl:hasDbXref "ChEBI" - ] . - ### http://purl.obolibrary.org/obo/CHEBI_231515 obo:CHEBI_231515 rdf:type owl:Class ; @@ -20473,7 +20562,7 @@ obo:CHEBI_36357 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/CHEBI_36383 obo:CHEBI_36383 rdf:type owl:Class ; - rdfs:subClassOf , + rdfs:subClassOf , obo:CHEBI_24835 , obo:CHEBI_33579 , obo:CHEBI_36357 ; @@ -27788,26 +27877,18 @@ obo:IAO_8000020 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/NCBITaxon_9606 -obo:NCBITaxon_9606 rdf:type owl:Class . +obo:NCBITaxon_9606 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0100026 ; + obo:IAO_0000111 "Homo sapiens" ; + obo:IAO_0000118 "human" , + "human being" ; + obo:IAO_0000412 obo:ncbitaxon.owl ; + rdfs:label "Homo sapiens" . ### http://purl.obolibrary.org/obo/OBI_0000011 obo:OBI_0000011 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; - rdfs:subClassOf obo:BFO_0000015 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; + rdfs:subClassOf obo:BFO_0000015 ; obo:IAO_0000111 "planned process" ; obo:IAO_0000112 "Injecting mice with a vaccine in order to test its efficacy" ; obo:IAO_0000114 obo:IAO_0000122 ; @@ -27847,19 +27928,11 @@ obo:OBI_0000047 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/OBI_0000094 obo:OBI_0000094 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000456 - ] ; rdfs:subClassOf obo:OBI_0000011 , [ rdf:type owl:Restriction ; owl:onProperty obo:OBI_0000299 ; owl:someValuesFrom obo:OBI_0000047 ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000456 - ] , [ rdf:type owl:Restriction ; owl:onProperty obo:OBI_0000293 ; owl:allValuesFrom obo:BFO_0000040 @@ -27987,37 +28060,12 @@ obo:OBI_0000455 rdf:type owl:Class ; rdfs:label "consume data function"@en . -### http://purl.obolibrary.org/obo/OBI_0000456 -obo:OBI_0000456 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000005 ; - obo:IAO_0000111 "material transformation objective" ; - obo:IAO_0000112 "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "an objective specifiction that creates an specific output object from input materials."@en ; - obo:IAO_0000117 "PERSON: Bjoern Peters" , - "PERSON: Frank Gibson" , - "PERSON: Jennifer Fostel" , - "PERSON: Melanie Courtot" , - "PERSON: Philippe Rocca-Serra" ; - obo:IAO_0000118 "artifact creation objective"@en ; - obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; - rdfs:label "material transformation objective"@en . - - ### http://purl.obolibrary.org/obo/OBI_0000457 obo:OBI_0000457 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000458 - ] ; rdfs:subClassOf obo:OBI_0000094 , [ rdf:type owl:Restriction ; owl:onProperty obo:OBI_0000293 ; owl:someValuesFrom obo:BFO_0000040 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000458 ] ; obo:IAO_0000111 "manufacturing" ; obo:IAO_0000114 obo:IAO_0000122 ; @@ -28034,21 +28082,6 @@ obo:OBI_0000457 rdf:type owl:Class ; rdfs:label "manufacturing"@en . -### http://purl.obolibrary.org/obo/OBI_0000458 -obo:OBI_0000458 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000456 ; - obo:IAO_0000111 "manufacturing objective" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "is the objective to manufacture a material of a certain function (device)"@en ; - obo:IAO_0000117 "PERSON: Bjoern Peters" , - "PERSON: Frank Gibson" , - "PERSON: Jennifer Fostel" , - "PERSON: Melanie Courtot" , - "PERSON: Philippe Rocca-Serra" ; - obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; - rdfs:label "manufacturing objective"@en . - - ### http://purl.obolibrary.org/obo/OBI_0000522 obo:OBI_0000522 rdf:type owl:Class ; rdfs:subClassOf obo:OBI_0000967 ; @@ -28070,6 +28103,10 @@ obo:OBI_0000571 rdf:type owl:Class ; obo:OBI_0000245 ) ] + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:allValuesFrom obo:OBI_0000457 ] ; obo:IAO_0000111 "manufacturer role" ; obo:IAO_0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." ; @@ -28230,14 +28267,6 @@ obo:OBI_0400107 rdf:type owl:Class ; rdfs:label "computer" . -### http://purl.obolibrary.org/obo/UBERON_0000465 -obo:UBERON_0000465 rdf:type owl:Class . - - -### http://purl.obolibrary.org/obo/UBERON_0000477 -obo:UBERON_0000477 rdf:type owl:Class . - - ### http://www.geneontology.org/formats/oboInOwl#ObsoleteClass oboInOwl:ObsoleteClass rdf:type owl:Class . @@ -28962,6 +28991,7 @@ obo:IAO_0000121 rdf:type owl:NamedIndividual , obo:IAO_0000078 ; obo:IAO_0000111 "organizational term"@en ; obo:IAO_0000115 "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en ; + obo:IAO_0000117 "PERSON:Alan Ruttenberg" ; rdfs:label "organizational term"@en . @@ -29185,6 +29215,14 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , ] . +[ rdf:type owl:AllDisjointClasses ; + owl:members ( obo:BFO_0000004 + obo:BFO_0000020 + obo:BFO_0000031 + ) +] . + + [ rdf:type owl:AllDifferent ; owl:distinctMembers ( obo:IAO_0000120 obo:IAO_0000121 @@ -29207,4 +29245,112 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , ] . +################################################################# +# Rules +################################################################# + + rdf:type swrl:Variable . + + rdf:type swrl:Variable . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000016 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000091 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000019 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000086 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000023 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000087 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000034 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000085 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + ### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/nmrCV.obo b/nmrCV.obo index bd30a32..b7d89f6 100644 --- a/nmrCV.obo +++ b/nmrCV.obo @@ -1,5 +1,5 @@ format-version: 1.2 -data-version: http://nmrML.org/nmrCV/releases/2025-03-17/nmrCV.owl +data-version: http://nmrml.org/cv/2025-03-20/nmrCV.owl subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" @@ -29,6 +29,8 @@ idspace: foaf http://xmlns.com/foaf/0.1/ idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# idspace: protege http://protege.stanford.edu/plugins/owl/protege# idspace: skos http://www.w3.org/2004/02/skos/core# +idspace: swrl http://www.w3.org/2003/11/swrl# +idspace: swrlb http://www.w3.org/2003/11/swrlb# idspace: vann http://purl.org/vocab/vann/ ontology: http://nmrML.org/nmrCV.owl property_value: dce:contributor "Chris Taylor" xsd:string @@ -40,7 +42,7 @@ property_value: dce:contributor "Larissa Soldatova" xsd:string property_value: dce:contributor "Michael Wilson" xsd:string property_value: dce:coverage "Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open\naccess nmrML XML format developed by the COSMOS EU project." xsd:string property_value: dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" xsd:string -property_value: dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." xsd:string +property_value: dcterms:abstract "With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained.\n\nRecognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023.\n\nThe decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics.\n\n⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility." xsd:string property_value: dcterms:contributor https://orcid.org/0000-0001-5306-5690 property_value: dcterms:contributor https://orcid.org/0000-0001-5687-9059 property_value: dcterms:contributor https://orcid.org/0000-0001-8604-1732 @@ -51,7 +53,7 @@ property_value: dcterms:contributor https://orcid.org/0000-0002-7899-7192 property_value: dcterms:contributor https://orcid.org/0000-0002-8148-6895 property_value: dcterms:contributor https://orcid.org/0000-0003-1144-3600 property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." xsd:string +property_value: dcterms:created "2025-03-20" xsd:string property_value: dcterms:license https://creativecommons.org/publicdomain/mark/1.0/ property_value: dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" xsd:string property_value: dcterms:title "nuclear magnetic resonance CV" xsd:string @@ -60,9 +62,9 @@ property_value: doap:bug-database "https://github.com/nmrML/nmrCV/issues" xsd:st property_value: doap:implements "https://github.com/nmrML/nmrML" xsd:string property_value: doap:location "https://github.com/nmrML/nmrCV" xsd:string property_value: doap:maintainer https://www.wikidata.org/wiki/Q96678459 -property_value: owl:priorVersion nmrCV:v1.1.owl +property_value: owl:priorVersion https://nmrml.org/cv/v1.1.0/nmrCV.owl property_value: owl:versionInfo "2.0_alpha" xsd:string -property_value: owl:versionInfo "2025-03-17" xsd:string +property_value: owl:versionInfo "2025-03-20" xsd:string property_value: vann:preferredNamespacePrefix "nmrCV" xsd:string [Term] @@ -82,6 +84,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000002 name: continuant +def: "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts." [] is_a: BFO:0000001 ! entity disjoint_from: BFO:0000003 ! occurrent property_value: BFO:0000179 "continuant" xsd:string @@ -101,6 +104,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000003 name: occurrent +def: "An entity that has temporal parts and that happens, unfolds or develops through time." [] is_a: BFO:0000001 ! entity property_value: BFO:0000179 "occurrent" xsd:string property_value: BFO:0000180 "Occurrent" xsd:string @@ -119,8 +123,10 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000004 name: independent continuant def: "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/017-002"} +comment: A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000020 ! specifically dependent continuant +disjoint_from: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000031 ! generically dependent continuant property_value: BFO:0000179 "ic" xsd:string property_value: BFO:0000180 "IndependentContinuant" xsd:string @@ -214,6 +220,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000015 name: process def: "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/083-003"} +comment: An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. is_a: BFO:0000003 ! occurrent property_value: BFO:0000179 "process" xsd:string property_value: BFO:0000180 "Process" xsd:string @@ -249,6 +256,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000017 name: realizable entity +def: "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances." [] is_a: BFO:0000020 ! specifically dependent continuant disjoint_from: BFO:0000019 ! quality property_value: BFO:0000179 "realizable" xsd:string @@ -296,7 +304,9 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000020 name: specifically dependent continuant +def: "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/131-004"} def: "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} +comment: A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. is_a: BFO:0000002 ! continuant disjoint_from: BFO:0000031 ! generically dependent continuant property_value: BFO:0000179 "sdc" xsd:string @@ -313,12 +323,14 @@ property_value: IAO:0000112 "the role of being a doctor" xsd:string property_value: IAO:0000112 "the shape of this hole." xsd:string property_value: IAO:0000112 "the smell of this portion of mozzarella" xsd:string property_value: IAO:0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc." xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/0000005", comment="per discussion with Barry Smith"} +property_value: IAO:0000602 "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/131-004"} property_value: IAO:0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/050-003"} property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000023 name: role +def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] is_a: BFO:0000017 ! realizable entity property_value: BFO:0000179 "role" xsd:string property_value: BFO:0000180 "Role" xsd:string @@ -457,6 +469,7 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl id: BFO:0000031 name: generically dependent continuant def: "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])" [] {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/074-001"} +comment: A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. is_a: BFO:0000002 ! continuant property_value: BFO:0000179 "gdc" xsd:string property_value: BFO:0000180 "GenericallyDependentContinuant" xsd:string @@ -509,10 +522,12 @@ property_value: isDefinedBy http://purl.obolibrary.org/obo/bfo.owl [Term] id: BFO:0000040 name: material entity +def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] is_a: BFO:0000004 ! independent continuant disjoint_from: BFO:0000141 ! immaterial entity property_value: BFO:0000179 "material" xsd:string property_value: BFO:0000180 "MaterialEntity" xsd:string +property_value: IAO:0000111 "material entity" xsd:string property_value: IAO:0000112 "a flame" xsd:string property_value: IAO:0000112 "a forest fire" xsd:string property_value: IAO:0000112 "a human being" xsd:string @@ -528,6 +543,7 @@ property_value: IAO:0000112 "the undetached arm of a human being" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60" xsd:string property_value: IAO:0000116 "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity." xsd:string property_value: IAO:0000116 "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here." xsd:string +property_value: IAO:0000412 http://purl.obolibrary.org/obo/ido.owl property_value: IAO:0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])" xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/019-002"} property_value: IAO:0000601 "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])" xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/021-002"} property_value: IAO:0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])" xsd:string {IAO:0010000="http://purl.obolibrary.org/obo/bfo/axiom/020-002"} @@ -3099,7 +3115,7 @@ xref: Gmelin:463924 {source="Gmelin"} is_a: CHEBI:24835 ! inorganic molecular entity is_a: CHEBI:33579 ! main group molecular entity is_a: CHEBI:36357 ! polyatomic entity -is_a: NMRCV:0002000 ! 87Sr spectrum chemical shift reference compound +is_a: NMR:0002000 ! 87Sr spectrum chemical shift reference compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Sr/h2*1H;/q;;+2/p-2" xsd:string @@ -5382,6 +5398,24 @@ name: EL++ ontology module is_a: IAO:8000019 ! ontology module subsetted by OWL profile property_value: IAO:0000111 "EL++ ontology module" xsd:string +[Term] +id: NCBITaxon:9606 +name: Homo sapiens +is_a: OBI:0100026 ! organism +property_value: IAO:0000111 "Homo sapiens" xsd:string +property_value: IAO:0000118 "human" xsd:string +property_value: IAO:0000118 "human being" xsd:string +property_value: IAO:0000412 http://purl.obolibrary.org/obo/ncbitaxon.owl + +[Term] +id: NMR:0002000 +name: 87Sr spectrum chemical shift reference compound +def: "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} +comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. +is_a: NMR:1400033 ! chemical shift reference compound +property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 +property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime + [Term] id: NMR:0002001 name: characterized compound @@ -10886,15 +10920,6 @@ id: NMR:1400321 name: Bruker WIN NMR format is_a: NMR:1400285 ! NMR software data format -[Term] -id: NMRCV:0002000 -name: 87Sr spectrum chemical shift reference compound -def: "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." [] {dcterms:source="https://www.degruyter.com/document/doi/10.1351/pac200880010059/html"} -comment: This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. -is_a: NMR:1400033 ! chemical shift reference compound -property_value: dcterms:contributor https://orcid.org/0009-0001-5998-5030 -property_value: dcterms:created "2025-02-17T15:49:36Z" xsd:dateTime - [Term] id: OBI:0000011 name: planned process @@ -10930,7 +10955,6 @@ def: "A planned process which results in physical changes in a specified input m is_a: OBI:0000011 ! planned process relationship: OBI:0000293 BFO:0000040 {all_only="true"} ! has specified input material entity relationship: OBI:0000299 OBI:0000047 ! has specified output processed material -relationship: OBI:0000417 OBI:0000456 ! achieves_planned_objective material transformation objective property_value: IAO:0000111 "material processing" xsd:string property_value: IAO:0000112 "A cell lysis, production of a cloning vector, creating a buffer." xsd:string property_value: IAO:0000114 IAO:0000122 @@ -11008,29 +11032,12 @@ property_value: IAO:0000117 "PERSON: Daniel Schober" xsd:string property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -[Term] -id: OBI:0000456 -name: material transformation objective -def: "an objective specifiction that creates an specific output object from input materials." [] -is_a: IAO:0000005 ! objective specification -property_value: IAO:0000111 "material transformation objective" xsd:string -property_value: IAO:0000112 "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string -property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000118 "artifact creation objective" xsd:string -property_value: IAO:0000119 "GROUP: OBI PlanAndPlannedProcess Branch" xsd:string - [Term] id: OBI:0000457 name: manufacturing def: "A planned process with the objective to produce a processed material which will have a function for future use." [] is_a: OBI:0000094 ! material processing relationship: OBI:0000293 BFO:0000040 ! has specified input material entity -relationship: OBI:0000417 OBI:0000458 ! achieves_planned_objective manufacturing objective property_value: IAO:0000111 "manufacturing" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000116 "A person or organization (having manufacturer role) is a participant in this process" xsd:string @@ -11043,20 +11050,6 @@ property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string property_value: IAO:0000119 "GROUP: OBI PlanAndPlannedProcess Branch" xsd:string -[Term] -id: OBI:0000458 -name: manufacturing objective -def: "is the objective to manufacture a material of a certain function (device)" [] -is_a: OBI:0000456 ! material transformation objective -property_value: IAO:0000111 "manufacturing objective" xsd:string -property_value: IAO:0000114 IAO:0000122 -property_value: IAO:0000117 "PERSON: Bjoern Peters" xsd:string -property_value: IAO:0000117 "PERSON: Frank Gibson" xsd:string -property_value: IAO:0000117 "PERSON: Jennifer Fostel" xsd:string -property_value: IAO:0000117 "PERSON: Melanie Courtot" xsd:string -property_value: IAO:0000117 "PERSON: Philippe Rocca-Serra" xsd:string -property_value: IAO:0000119 "GROUP: OBI PlanAndPlannedProcess Branch" xsd:string - [Term] id: OBI:0000522 name: vial @@ -11072,6 +11065,7 @@ id: OBI:0000571 name: manufacturer role def: "Manufacturer role is a role which inheres in a person or organization and which is realized by a manufacturing process." [] is_a: BFO:0000023 ! role +relationship: BFO:0000054 OBI:0000457 {all_only="true"} ! realized in manufacturing property_value: IAO:0000111 "manufacturer role" xsd:string property_value: IAO:0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." xsd:string property_value: IAO:0000114 IAO:0000123 @@ -11321,7 +11315,6 @@ property_value: IAO:0000117 "BP, AR, PPPB branch" xsd:string property_value: IAO:0000119 "PPPB branch derived" xsd:string property_value: IAO:0000232 "modified according to email thread from 1/23/09 in accordince with DT and PPPB branch" xsd:string domain: OBI:0000011 ! planned process -range: IAO:0000005 ! objective specification inverse_of: OBI:0000833 ! objective_achieved_by [Typedef] @@ -11332,9 +11325,18 @@ property_value: IAO:0000111 "objective_achieved_by" xsd:string property_value: IAO:0000114 IAO:0000122 property_value: IAO:0000117 "OBI" xsd:string property_value: IAO:0000119 "OBI" xsd:string -domain: IAO:0000005 ! objective specification range: OBI:0000011 ! planned process +[Typedef] +id: OBI:0001938 +name: has value specification +def: "A relation between an information content entity and a value specification that specifies its value." [] +property_value: IAO:0000111 "has value specification" xsd:string +property_value: IAO:0000114 IAO:0000120 +property_value: IAO:0000117 "PERSON: James A. Overton" xsd:string +property_value: IAO:0000119 "OBI" xsd:string +is_a: has_part ! has part + [Typedef] id: RO:0000052 name: characteristic of @@ -11395,17 +11397,21 @@ holds_over_chain: has_part RO:0000057 id: RO:0000058 name: is concretized as def: "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes." [] +def: "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants." [] property_value: IAO:0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)." xsd:string property_value: IAO:0000112 "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)." xsd:string domain: BFO:0000031 ! generically dependent continuant +range: BFO:0000020 ! specifically dependent continuant inverse_of: RO:0000059 ! concretizes [Typedef] id: RO:0000059 name: concretizes +def: "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant." [] def: "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant." [] property_value: IAO:0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)." xsd:string property_value: IAO:0000112 "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)." xsd:string +domain: BFO:0000020 ! specifically dependent continuant range: BFO:0000031 ! generically dependent continuant [Typedef] @@ -11421,6 +11427,18 @@ domain: BFO:0000034 ! function is_a: RO:0000052 ! characteristic of inverse_of: RO:0000085 ! has function +[Typedef] +id: RO:0000080 +name: quality of +def: "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence" [] +comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. +property_value: IAO:0000112 "this red color is a quality of this apple" xsd:string +property_value: IAO:0000116 "A quality inheres in its bearer at all times for which the quality exists." xsd:string +property_value: IAO:0000118 "is quality of" xsd:string +property_value: IAO:0000118 "quality_of" xsd:string +is_a: RO:0000052 ! characteristic of +inverse_of: RO:0000086 ! has quality + [Typedef] id: RO:0000081 name: role of @@ -11444,6 +11462,31 @@ domain: BFO:0000004 ! independent continuant range: BFO:0000034 ! function is_a: RO:0000053 ! has characteristic +[Typedef] +id: RO:0000086 +name: has quality +def: "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence" [] +property_value: IAO:0000112 "this apple has quality this red color" xsd:string +property_value: IAO:0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist." xsd:string +property_value: IAO:0000118 "has_quality" xsd:string +range: BFO:0000019 ! quality +is_a: RO:0000053 ! has characteristic + +[Typedef] +id: RO:0000091 +name: has disposition +def: "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence" [] +domain: BFO:0000004 ! independent continuant +range: BFO:0000016 ! disposition +is_a: RO:0000053 ! has characteristic +inverse_of: RO:0000092 ! disposition of + +[Typedef] +id: RO:0000092 +name: disposition of +comment: This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. +is_a: RO:0000052 ! characteristic of + [Typedef] id: RO:0002131 name: overlaps @@ -11554,6 +11597,7 @@ property_value: IAO:0000116 "Everything has itself as a part. Any part of any pa property_value: IAO:0000116 "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/" xsd:string property_value: IAO:0000116 "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)\n\nA continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'." xsd:string property_value: IAO:0000118 "has_part" xsd:string +property_value: IAO:0000412 http://purl.obolibrary.org/obo/iao.owl property_value: RO:0001900 RO:0001901 is_cyclic: false is_transitive: true diff --git a/nmrCV.owl b/nmrCV.owl index 3bc69ba..b735879 100644 --- a/nmrCV.owl +++ b/nmrCV.owl @@ -11,8 +11,10 @@ xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" + xmlns:swrl="http://www.w3.org/2003/11/swrl#" xmlns:vann="http://purl.org/vocab/vann/" xmlns:chebi="http://purl.obolibrary.org/obo/chebi/" + xmlns:swrlb="http://www.w3.org/2003/11/swrlb#" xmlns:chebi1="http://purl.obolibrary.org/obo/chebi#" xmlns:chebi2="http://purl.obolibrary.org/obo/chebi#2" xmlns:chebi3="http://purl.obolibrary.org/obo/chebi#3" @@ -21,7 +23,7 @@ xmlns:subsets="http://purl.obolibrary.org/obo/ro/subsets#" xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"> - + Chris Taylor Dennis Rubtsov Helen Jenkins @@ -32,7 +34,13 @@ Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project. COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team - WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies. + With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility. @@ -43,8 +51,7 @@ access nmrML XML format developed by the COSMOS EU project. - 2025-03-17 - This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model. + 2025-03-20 https://doi.org/10.1021/acs.analchem.7b02795 nuclear magnetic resonance CV @@ -54,9 +61,9 @@ access nmrML XML format developed by the COSMOS EU project. https://github.com/nmrML/nmrML https://github.com/nmrML/nmrCV - + 2.0_alpha - 2025-03-17 + 2025-03-20 @@ -1515,6 +1522,7 @@ A continuant cannot be part of an occurrent: use 'participates in'. An A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part + BFO:0000051 chebi_ontology @@ -1679,7 +1687,6 @@ Some currently missing phenomena that should be considered "about" are - achieves_planned_objective A cell sorting process achieves the objective specification 'material separation objective' @@ -1695,7 +1702,6 @@ Some currently missing phenomena that should be considered "about" are - objective_achieved_by @@ -1707,6 +1713,20 @@ Some currently missing phenomena that should be considered "about" are + + + + + has value specification + + A relation between an information content entity and a value specification that specifies its value. + PERSON: James A. Overton + OBI + has value specification + + + + @@ -1792,6 +1812,7 @@ Some currently missing phenomena that should be considered "about" are + @@ -1803,6 +1824,7 @@ Some currently missing phenomena that should be considered "about" are A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes. + A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants. is concretized as @@ -1811,6 +1833,7 @@ Some currently missing phenomena that should be considered "about" are + @@ -1822,6 +1845,7 @@ Some currently missing phenomena that should be considered "about" are A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant). An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process). + A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant. concretizes @@ -1845,6 +1869,22 @@ Some currently missing phenomena that should be considered "about" are + + + + + + this red color is a quality of this apple + a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence + A quality inheres in its bearer at all times for which the quality exists. + is quality of + quality_of + This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. + quality of + + + + @@ -1876,6 +1916,20 @@ Some currently missing phenomena that should be considered "about" are + + + + + + this apple has quality this red color + a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence + A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. + has_quality + has quality + + + + @@ -1898,6 +1952,29 @@ Some currently missing phenomena that should be considered "about" are + + + + + + + + a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence + has disposition + + + + + + + + + This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. + disposition of + + + + @@ -2077,6 +2154,25 @@ Some currently missing phenomena that should be considered "about" are + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + 2025-02-17T15:49:36Z + This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. + 87Sr spectrum chemical shift reference compound + + + + + A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations. + + + + + @@ -13064,25 +13160,6 @@ Line sharpening can be optimized during data acquisition or performed during dat - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - 2025-02-17T15:49:36Z - This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted. - 87Sr spectrum chemical shift reference compound - - - - - A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations. - - - - - @@ -13129,6 +13206,7 @@ Line sharpening can be optimized during data acquisition or performed during dat continuant Continuant + An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) @@ -13211,6 +13289,7 @@ Line sharpening can be optimized during data acquisition or performed during dat occurrent Occurrent + An entity that has temporal parts and that happens, unfolds or develops through time. BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. @@ -13293,6 +13372,7 @@ Line sharpening can be optimized during data acquisition or performed during dat (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] + A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. independent continuant @@ -13582,6 +13662,7 @@ Line sharpening can be optimized during data acquisition or performed during dat p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] + An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. process @@ -13658,6 +13739,7 @@ Line sharpening can be optimized during data acquisition or performed during dat the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet + A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] @@ -13783,12 +13865,21 @@ Line sharpening can be optimized during data acquisition or performed during dat the role of being a doctor the shape of this hole. the smell of this portion of mozzarella + b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. + (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] + A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same. specifically dependent continuant + + + + b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) + + @@ -13802,6 +13893,12 @@ Line sharpening can be optimized during data acquisition or performed during dat per discussion with Barry Smith + + + + (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] + + @@ -13824,6 +13921,7 @@ Line sharpening can be optimized during data acquisition or performed during dat the role of a stone in marking a property boundary the role of subject in a clinical trial the student role + A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] @@ -14082,6 +14180,7 @@ Line sharpening can be optimized during data acquisition or performed during dat the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] + A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. generically dependent continuant @@ -14207,6 +14306,7 @@ Line sharpening can be optimized during data acquisition or performed during dat material MaterialEntity + material entity a flame a forest fire a human being @@ -14219,9 +14319,11 @@ Line sharpening can be optimized during data acquisition or performed during dat an energy wave an epidemic the undetached arm of a human being + An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. + A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) @@ -19311,6 +19413,19 @@ Line sharpening can be optimized during data acquisition or performed during dat caesium nitrate + + + + caesium nitrate + IUPAC + + + + + + CsNO3 + ChEBI + @@ -19371,19 +19486,6 @@ Line sharpening can be optimized during data acquisition or performed during dat PMID:35411853 Europe PMC - - - - caesium nitrate - IUPAC - - - - - - CsNO3 - ChEBI - @@ -22692,7 +22794,7 @@ Line sharpening can be optimized during data acquisition or performed during dat - + @@ -29679,36 +29781,21 @@ No imports - + + + Homo sapiens + human + human being + + Homo sapiens + - - - - - - - - - - - - - - - - - - - - - - planned process Injecting mice with a vaccine in order to test its efficacy @@ -29759,12 +29846,6 @@ objectives is a planned process. - - - - - - @@ -29772,12 +29853,6 @@ objectives is a planned process. - - - - - - @@ -29932,35 +30007,9 @@ for now. - - - - - material transformation objective - The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS. - - an objective specifiction that creates an specific output object from input materials. - PERSON: Bjoern Peters - PERSON: Frank Gibson - PERSON: Jennifer Fostel - PERSON: Melanie Courtot - PERSON: Philippe Rocca-Serra - artifact creation objective - GROUP: OBI PlanAndPlannedProcess Branch - material transformation objective - - - - - - - - - - @@ -29968,12 +30017,6 @@ for now. - - - - - - manufacturing A planned process with the objective to produce a processed material which will have a function for future use. @@ -29991,24 +30034,6 @@ for now. - - - - - manufacturing objective - - is the objective to manufacture a material of a certain function (device) - PERSON: Bjoern Peters - PERSON: Frank Gibson - PERSON: Jennifer Fostel - PERSON: Melanie Courtot - PERSON: Philippe Rocca-Serra - GROUP: OBI PlanAndPlannedProcess Branch - manufacturing objective - - - - @@ -30040,6 +30065,12 @@ for now. + + + + + + manufacturer role With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role. @@ -30242,18 +30273,6 @@ This issue is outside the scope of OBI. - - - - - - - - - - - - @@ -31295,6 +31314,7 @@ This issue is outside the scope of OBI. organizational term Term created to ease viewing/sort terms for development purpose, and will not be included in a release + PERSON:Alan Ruttenberg organizational term @@ -31607,6 +31627,14 @@ This issue is outside the scope of OBI. + + + + + + + + @@ -31629,6 +31657,195 @@ This issue is outside the scope of OBI. + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/nmrCV.ttl b/nmrCV.ttl index 1691cce..d5b4324 100644 --- a/nmrCV.ttl +++ b/nmrCV.ttl @@ -9,8 +9,10 @@ @prefix foaf: . @prefix rdfs: . @prefix skos: . +@prefix swrl: . @prefix vann: . @prefix chebi: . +@prefix swrlb: . @prefix chebi1: . @prefix chebi2: . @prefix chebi3: . @@ -21,7 +23,7 @@ @base . rdf:type owl:Ontology ; - owl:versionIRI ; + owl:versionIRI ; dce:contributor "Chris Taylor" , "Dennis Rubtsov" , "Helen Jenkins" , @@ -32,7 +34,13 @@ dce:coverage """Nuclear magnetic resonance (NMR) data annotation as required by the msi sanctioned open access nmrML XML format developed by the COSMOS EU project.""" ; dce:creator "COSMOS - COordination Of Standards In MetabOlomicS Project - WP2 team" ; - dcterms:abstract "WORK IN PROGRESS: This version of the Nuclear Magnetic Resonance Controlled Vocabulary is an ontology that covers the scope of NMR Spectrocopy by defining terms needed to describe NMR Spectroscopy experiments and their outputs with sufficient details to be considered FAIR in the context of research data managment. It is the successor to the version used within nmrML to annotated NMR data, since the NFDI4Chem project identified gaps in the previous version that needed to be filled in a manner that allows nmrCV in a modular way along with other existing OBO/BFO based ontologies." ; + dcterms:abstract """With this artifact, the Nuclear Magnetic Resonance Controlled Vocabulary (nmrCV) is undergoing a significant evolution to become an ontology designed to describe NMR spectroscopy experiments and their outputs in detail, supporting FAIR research data management. Initially, nmrCV v1.1.0 was deliberately designed as a controlled vocabulary, not a formal ontology with Description Logic (DL) semantics. It was approved by th Metabolomics Standards Initiative (MSI) and serves to provide descriptors for the nuclear magnetic resonance markup language (nmrML), enabling vendor-agnostic NMR data sharing, particularly within NMR metabolomics. Since version 1.1.0, nmrCV had not been updated nor actively maintained. + +Recognizing the need for a DL-enabled NMR spectroscopy ontology suitable for use independently of nmrML within a larger ontology framework, and addressing the limitations of the original controlled vocabulary, Germany's National Research Data Infrastructure project for Chemistry (NFDI4Chem) took on the responsibility for nmrCV's further development and maintenance. This decision was made after a discussion about its optimal integration within the broader ontology landscape at the third Ontologies4Chem workshop in fall 2023. + +The decision to build upon nmrCV v1.1.0 was based on its existing definition of essential concepts, its BFO alignment, and its planned integration with ontologies like the Ontology for Biomedical Investigations (OBI) and the Chemical Entities of Biological Interest (ChEBI). Improvements in the present version include replacing out-of-scope and placeholder terms with more suitable equivalents from established ontologies like OBI and ChEBI, adhering to the OBO Foundry principles, corrections regarding the BFO subsumption and other established ontology design patterns, as well as the introduction of DL semantics. + +⚠️ Compatibility Note: Due to these significant changes, which prioritize ontology rigor over nmrML alignment, this and future versions of nmrCV may introduce breaking changes for nmrML users. Therefore, nmrML users are strongly advised to thoroughly test new nmrCV versions before production deployment. Alternatively, users may choose to continue using nmrCV v1.1.0, which was specifically designed for nmrML compatibility."""@en ; dcterms:contributor , , , @@ -43,8 +51,7 @@ access nmrML XML format developed by the COSMOS EU project.""" ; , , ; - dcterms:created "2025-03-17"^^xsd:date ; - dcterms:description "This artefact is an MSI-approved controlled vocabulary primarily developed under COSMOS EU and PhenoMeNal EU governance. The nmrCV is supporting the nmrML XML format with standardized terms. nmrML is a vendor agnostic open access NMR raw data standard. Its primaly role is analogous to the mzCV for the PSI-approved mzML XML format. It uses BFO2.0 as its Top level. This CV was derived from two predecessors (The NMR CV from the David Wishart Group, developed by Joseph Cruz) and the MSI nmr CV developed by Daniel Schober at the EBI. This simple taxonomy of terms (no DL semantics used) serves the nuclear magnetic resonance markup language (nmrML) with meaningful descriptors to amend the nmrML xml file with CV terms. Metabolomics scientists are encouraged to use this CV to annotrate their raw and experimental context data, i.e. within nmrML. The approach to have an exchange syntax mixed of an xsd and CV stems from the PSI mzML effort. The reason to branch out from an xsd into a CV is, that in areas where the terminology is likely to change faster than the nmrML xsd could be updated and aligned, an externally and decentrallised maintained CV can accompensate for such dynamics in a more flexible way. A second reason for this set-up is that semantic validity of CV terms used in an nmrML XML instance (allowed CV terms, position/relation to each other, cardinality) can be validated by rule-based proprietary validators: By means of cardinality specifications and XPath expressions defined in an XML mapping file (an instances of the CvMappingRules.xsd ), one can define what ontology terms are allowed in a specific location of the data model." ; + dcterms:created "2025-03-20" ; dcterms:license ; dcterms:references "https://doi.org/10.1021/acs.analchem.7b02795" ; dcterms:title "nuclear magnetic resonance CV" ; @@ -54,9 +61,9 @@ access nmrML XML format developed by the COSMOS EU project.""" ; doap:implements "https://github.com/nmrML/nmrML" ; doap:location "https://github.com/nmrML/nmrCV" ; doap:maintainer ; - owl:priorVersion ; + owl:priorVersion ; owl:versionInfo "2.0_alpha" , - "2025-03-17" . + "2025-03-20" . ################################################################# # Annotation properties @@ -1134,6 +1141,7 @@ obo:BFO_0000051 rdf:type owl:ObjectProperty ; A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'."""@en ; obo:IAO_0000118 "has_part"@en ; + obo:IAO_0000412 obo:iao.owl ; obo:RO_0001900 obo:RO_0001901 ; oboInOwl:hasDbXref "BFO:0000051" ; oboInOwl:hasOBONamespace "chebi_ontology" ; @@ -1271,7 +1279,6 @@ obo:OBI_0000312 rdf:type owl:ObjectProperty ; obo:OBI_0000417 rdf:type owl:ObjectProperty ; owl:inverseOf obo:OBI_0000833 ; rdfs:domain obo:OBI_0000011 ; - rdfs:range obo:IAO_0000005 ; obo:IAO_0000111 "achieves_planned_objective" ; obo:IAO_0000112 "A cell sorting process achieves the objective specification 'material separation objective'" ; obo:IAO_0000114 obo:IAO_0000120 ; @@ -1284,7 +1291,6 @@ obo:OBI_0000417 rdf:type owl:ObjectProperty ; ### http://purl.obolibrary.org/obo/OBI_0000833 obo:OBI_0000833 rdf:type owl:ObjectProperty ; - rdfs:domain obo:IAO_0000005 ; rdfs:range obo:OBI_0000011 ; obo:IAO_0000111 "objective_achieved_by" ; obo:IAO_0000114 obo:IAO_0000122 ; @@ -1294,6 +1300,17 @@ obo:OBI_0000833 rdf:type owl:ObjectProperty ; rdfs:label "objective_achieved_by" . +### http://purl.obolibrary.org/obo/OBI_0001938 +obo:OBI_0001938 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:BFO_0000051 ; + obo:IAO_0000111 "has value specification" ; + obo:IAO_0000114 obo:IAO_0000120 ; + obo:IAO_0000115 "A relation between an information content entity and a value specification that specifies its value."@en ; + obo:IAO_0000117 "PERSON: James A. Overton" ; + obo:IAO_0000119 "OBI" ; + rdfs:label "has value specification" . + + ### http://purl.obolibrary.org/obo/RO_0000052 obo:RO_0000052 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002314 ; @@ -1364,20 +1381,23 @@ obo:RO_0000057 rdf:type owl:ObjectProperty ; obo:RO_0000058 rdf:type owl:ObjectProperty ; owl:inverseOf obo:RO_0000059 ; rdfs:domain obo:BFO_0000031 ; - rdfs:range [ rdf:type owl:Class ; + rdfs:range obo:BFO_0000020 , + [ rdf:type owl:Class ; owl:unionOf ( obo:BFO_0000015 obo:BFO_0000020 ) ] ; obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; - obo:IAO_0000115 "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en ; + obo:IAO_0000115 "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en , + "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en ; rdfs:label "is concretized as"@en . ### http://purl.obolibrary.org/obo/RO_0000059 obo:RO_0000059 rdf:type owl:ObjectProperty ; - rdfs:domain [ rdf:type owl:Class ; + rdfs:domain obo:BFO_0000020 , + [ rdf:type owl:Class ; owl:unionOf ( obo:BFO_0000015 obo:BFO_0000020 ) @@ -1385,7 +1405,8 @@ obo:RO_0000059 rdf:type owl:ObjectProperty ; rdfs:range obo:BFO_0000031 ; obo:IAO_0000112 "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en , "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en ; - obo:IAO_0000115 "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant."@en ; + obo:IAO_0000115 "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en , + "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant."@en ; rdfs:label "concretizes"@en . @@ -1403,6 +1424,19 @@ obo:RO_0000079 rdf:type owl:ObjectProperty ; rdfs:label "function of"@en . +### http://purl.obolibrary.org/obo/RO_0000080 +obo:RO_0000080 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000052 ; + owl:inverseOf obo:RO_0000086 ; + obo:IAO_0000112 "this red color is a quality of this apple"@en ; + obo:IAO_0000115 "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en ; + obo:IAO_0000116 "A quality inheres in its bearer at all times for which the quality exists."@en ; + obo:IAO_0000118 "is quality of"@en , + "quality_of"@en ; + rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; + rdfs:label "quality of"@en . + + ### http://purl.obolibrary.org/obo/RO_0000081 obo:RO_0000081 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000052 ; @@ -1428,6 +1462,17 @@ obo:RO_0000085 rdf:type owl:ObjectProperty ; rdfs:label "has function"@en . +### http://purl.obolibrary.org/obo/RO_0000086 +obo:RO_0000086 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000053 ; + rdfs:range obo:BFO_0000019 ; + obo:IAO_0000112 "this apple has quality this red color"@en ; + obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en ; + obo:IAO_0000116 "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en ; + obo:IAO_0000118 "has_quality"@en ; + rdfs:label "has quality"@en . + + ### http://purl.obolibrary.org/obo/RO_0000087 obo:RO_0000087 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0000053 ; @@ -1447,6 +1492,23 @@ obo:RO_0000087 rdf:type owl:ObjectProperty ; "has role"@en . +### http://purl.obolibrary.org/obo/RO_0000091 +obo:RO_0000091 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000053 ; + owl:inverseOf obo:RO_0000092 ; + rdfs:domain obo:BFO_0000004 ; + rdfs:range obo:BFO_0000016 ; + obo:IAO_0000115 "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence"@en ; + rdfs:label "has disposition"@en . + + +### http://purl.obolibrary.org/obo/RO_0000092 +obo:RO_0000092 rdf:type owl:ObjectProperty ; + rdfs:subPropertyOf obo:RO_0000052 ; + rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." ; + rdfs:label "disposition of"@en . + + ### http://purl.obolibrary.org/obo/RO_0002131 obo:RO_0002131 rdf:type owl:ObjectProperty ; rdfs:subPropertyOf obo:RO_0002323 ; @@ -1589,6 +1651,23 @@ obo:RO_0010002 rdf:type owl:ObjectProperty ; # Classes ################################################################# +### http://nmrML.org/nmrCV#NMR:0002000 + rdf:type owl:Class ; + rdfs:subClassOf ; + obo:IAO_0000115 "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:contributor ; + dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; + rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; + rdfs:label "87Sr spectrum chemical shift reference compound"@en . + +[ rdf:type owl:Axiom ; + owl:annotatedSource ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "A chemical shift reference compound used for 87Sr spectra according to IUPAC recommendations." ; + dcterms:source + ] . + + ### http://nmrML.org/nmrCV#NMR:0002001 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( obo:CHEBI_23367 @@ -10271,23 +10350,6 @@ Line sharpening can be optimized during data acquisition or performed during dat rdfs:label "Bruker WIN NMR format" . -### http://nmrML.org/nmrCV#NMRCV:0002000 - rdf:type owl:Class ; - rdfs:subClassOf ; - obo:IAO_0000115 "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:contributor ; - dcterms:created "2025-02-17T15:49:36Z"^^xsd:dateTime ; - rdfs:comment "This is a grouping class of chemical shift reference compounds based on IUPAC recommendations for 87Sr spectra. The children of this class were manually asserted." ; - rdfs:label "87Sr spectrum chemical shift reference compound"@en . - -[ rdf:type owl:Axiom ; - owl:annotatedSource ; - owl:annotatedProperty obo:IAO_0000115 ; - owl:annotatedTarget "A chemical shift reference compound used for 87Srr spectra according to IUPAC recommendations." ; - dcterms:source - ] . - - ### http://purl.obolibrary.org/obo/BFO_0000001 obo:BFO_0000001 rdf:type owl:Class ; rdfs:subClassOf owl:Thing ; @@ -10330,6 +10392,7 @@ obo:BFO_0000002 rdf:type owl:Class ; ] ; obo:BFO_0000179 "continuant" ; obo:BFO_0000180 "Continuant" ; + obo:IAO_0000115 "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en ; obo:IAO_0000116 "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en , "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en ; obo:IAO_0000600 "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en ; @@ -10416,6 +10479,7 @@ obo:BFO_0000003 rdf:type owl:Class ; ] ; obo:BFO_0000179 "occurrent" ; obo:BFO_0000180 "Occurrent" ; + obo:IAO_0000115 "An entity that has temporal parts and that happens, unfolds or develops through time."@en ; obo:IAO_0000116 "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en , "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en , "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en , @@ -10502,6 +10566,7 @@ obo:BFO_0000004 rdf:type owl:Class ; obo:IAO_0000602 "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] " , "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " , "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " ; + rdfs:comment "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "independent continuant"@en . @@ -10806,6 +10871,7 @@ obo:BFO_0000015 rdf:type owl:Class ; obo:IAO_0000115 "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en ; obo:IAO_0000116 "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en ; obo:IAO_0000602 "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] " ; + rdfs:comment "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "process"@en . @@ -10882,6 +10948,7 @@ obo:BFO_0000017 rdf:type owl:Class ; "the function of your reproductive organs"@en , "the role of being a doctor"@en , "the role of this boundary to delineate where Utah and Colorado meet"@en ; + obo:IAO_0000115 "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en ; obo:IAO_0000600 "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en ; obo:IAO_0000601 "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en ; obo:IAO_0000602 "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] " , @@ -11008,12 +11075,22 @@ obo:BFO_0000020 rdf:type owl:Class ; "the role of being a doctor"@en , "the shape of this hole."@en , "the smell of this portion of mozzarella"@en ; - obo:IAO_0000115 "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; + obo:IAO_0000115 "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en , + "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en ; obo:IAO_0000116 "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en ; - obo:IAO_0000602 "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + obo:IAO_0000602 "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " , + "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " ; + rdfs:comment "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "specifically dependent continuant"@en . +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000115 ; + owl:annotatedTarget "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en ; + obo:IAO_0010000 + ] . + [ rdf:type owl:Axiom ; owl:annotatedSource obo:BFO_0000020 ; owl:annotatedProperty obo:IAO_0000115 ; @@ -11029,6 +11106,13 @@ obo:BFO_0000020 rdf:type owl:Class ; rdfs:comment "per discussion with Barry Smith" ] . +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:BFO_0000020 ; + owl:annotatedProperty obo:IAO_0000602 ; + owl:annotatedTarget "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " ; + obo:IAO_0010000 + ] . + [ rdf:type owl:Axiom ; owl:annotatedSource obo:BFO_0000020 ; owl:annotatedProperty obo:IAO_0000602 ; @@ -11049,6 +11133,7 @@ obo:BFO_0000023 rdf:type owl:Class ; "the role of a stone in marking a property boundary"@en , "the role of subject in a clinical trial"@en , "the student role"@en ; + obo:IAO_0000115 "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en ; obo:IAO_0000116 "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en ; obo:IAO_0000600 "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en ; obo:IAO_0000602 "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] " ; @@ -11302,6 +11387,7 @@ obo:BFO_0000031 rdf:type owl:Class ; "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en ; obo:IAO_0000115 "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en ; obo:IAO_0000602 "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " ; + rdfs:comment "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time."@en ; rdfs:isDefinedBy obo:bfo.owl ; rdfs:label "generically dependent continuant"@en . @@ -11425,6 +11511,7 @@ obo:BFO_0000040 rdf:type owl:Class ; owl:disjointWith obo:BFO_0000141 ; obo:BFO_0000179 "material" ; obo:BFO_0000180 "MaterialEntity" ; + obo:IAO_0000111 "material entity"@en ; obo:IAO_0000112 "a flame"@en , "a forest fire"@en , "a human being"@en , @@ -11437,9 +11524,11 @@ obo:BFO_0000040 rdf:type owl:Class ; "an energy wave"@en , "an epidemic"@en , "the undetached arm of a human being"@en ; + obo:IAO_0000115 "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en ; obo:IAO_0000116 "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en , "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en , "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en ; + obo:IAO_0000412 obo:ido.owl ; obo:IAO_0000600 "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en ; obo:IAO_0000601 "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en , "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en ; @@ -16855,6 +16944,21 @@ obo:CHEBI_231514 rdf:type owl:Class ; oboInOwl:inSubset chebi3:_STAR ; rdfs:label "caesium nitrate" . +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasExactSynonym ; + owl:annotatedTarget "caesium nitrate" ; + oboInOwl:hasDbXref "IUPAC" ; + oboInOwl:hasSynonymType chebi1:IUPAC_NAME + ] . + +[ rdf:type owl:Axiom ; + owl:annotatedSource obo:CHEBI_231514 ; + owl:annotatedProperty oboInOwl:hasRelatedSynonym ; + owl:annotatedTarget "CsNO3" ; + oboInOwl:hasDbXref "ChEBI" + ] . + [ rdf:type owl:Axiom ; owl:annotatedSource obo:CHEBI_231514 ; owl:annotatedProperty oboInOwl:hasRelatedSynonym ; @@ -16925,21 +17029,6 @@ obo:CHEBI_231514 rdf:type owl:Class ; oboInOwl:source "Europe PMC" ] . -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:CHEBI_231514 ; - owl:annotatedProperty oboInOwl:hasExactSynonym ; - owl:annotatedTarget "caesium nitrate" ; - oboInOwl:hasDbXref "IUPAC" ; - oboInOwl:hasSynonymType chebi1:IUPAC_NAME - ] . - -[ rdf:type owl:Axiom ; - owl:annotatedSource obo:CHEBI_231514 ; - owl:annotatedProperty oboInOwl:hasRelatedSynonym ; - owl:annotatedTarget "CsNO3" ; - oboInOwl:hasDbXref "ChEBI" - ] . - ### http://purl.obolibrary.org/obo/CHEBI_231515 obo:CHEBI_231515 rdf:type owl:Class ; @@ -20473,7 +20562,7 @@ obo:CHEBI_36357 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/CHEBI_36383 obo:CHEBI_36383 rdf:type owl:Class ; - rdfs:subClassOf , + rdfs:subClassOf , obo:CHEBI_24835 , obo:CHEBI_33579 , obo:CHEBI_36357 ; @@ -27788,26 +27877,18 @@ obo:IAO_8000020 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/NCBITaxon_9606 -obo:NCBITaxon_9606 rdf:type owl:Class . +obo:NCBITaxon_9606 rdf:type owl:Class ; + rdfs:subClassOf obo:OBI_0100026 ; + obo:IAO_0000111 "Homo sapiens" ; + obo:IAO_0000118 "human" , + "human being" ; + obo:IAO_0000412 obo:ncbitaxon.owl ; + rdfs:label "Homo sapiens" . ### http://purl.obolibrary.org/obo/OBI_0000011 obo:OBI_0000011 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; - rdfs:subClassOf obo:BFO_0000015 , - [ rdf:type owl:Restriction ; - owl:onProperty obo:BFO_0000055 ; - owl:someValuesFrom [ rdf:type owl:Restriction ; - owl:onProperty obo:RO_0000059 ; - owl:someValuesFrom obo:IAO_0000104 - ] - ] ; + rdfs:subClassOf obo:BFO_0000015 ; obo:IAO_0000111 "planned process" ; obo:IAO_0000112 "Injecting mice with a vaccine in order to test its efficacy" ; obo:IAO_0000114 obo:IAO_0000122 ; @@ -27847,19 +27928,11 @@ obo:OBI_0000047 rdf:type owl:Class ; ### http://purl.obolibrary.org/obo/OBI_0000094 obo:OBI_0000094 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000456 - ] ; rdfs:subClassOf obo:OBI_0000011 , [ rdf:type owl:Restriction ; owl:onProperty obo:OBI_0000299 ; owl:someValuesFrom obo:OBI_0000047 ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000456 - ] , [ rdf:type owl:Restriction ; owl:onProperty obo:OBI_0000293 ; owl:allValuesFrom obo:BFO_0000040 @@ -27987,37 +28060,12 @@ obo:OBI_0000455 rdf:type owl:Class ; rdfs:label "consume data function"@en . -### http://purl.obolibrary.org/obo/OBI_0000456 -obo:OBI_0000456 rdf:type owl:Class ; - rdfs:subClassOf obo:IAO_0000005 ; - obo:IAO_0000111 "material transformation objective" ; - obo:IAO_0000112 "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "an objective specifiction that creates an specific output object from input materials."@en ; - obo:IAO_0000117 "PERSON: Bjoern Peters" , - "PERSON: Frank Gibson" , - "PERSON: Jennifer Fostel" , - "PERSON: Melanie Courtot" , - "PERSON: Philippe Rocca-Serra" ; - obo:IAO_0000118 "artifact creation objective"@en ; - obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; - rdfs:label "material transformation objective"@en . - - ### http://purl.obolibrary.org/obo/OBI_0000457 obo:OBI_0000457 rdf:type owl:Class ; - owl:equivalentClass [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000458 - ] ; rdfs:subClassOf obo:OBI_0000094 , [ rdf:type owl:Restriction ; owl:onProperty obo:OBI_0000293 ; owl:someValuesFrom obo:BFO_0000040 - ] , - [ rdf:type owl:Restriction ; - owl:onProperty obo:OBI_0000417 ; - owl:someValuesFrom obo:OBI_0000458 ] ; obo:IAO_0000111 "manufacturing" ; obo:IAO_0000114 obo:IAO_0000122 ; @@ -28034,21 +28082,6 @@ obo:OBI_0000457 rdf:type owl:Class ; rdfs:label "manufacturing"@en . -### http://purl.obolibrary.org/obo/OBI_0000458 -obo:OBI_0000458 rdf:type owl:Class ; - rdfs:subClassOf obo:OBI_0000456 ; - obo:IAO_0000111 "manufacturing objective" ; - obo:IAO_0000114 obo:IAO_0000122 ; - obo:IAO_0000115 "is the objective to manufacture a material of a certain function (device)"@en ; - obo:IAO_0000117 "PERSON: Bjoern Peters" , - "PERSON: Frank Gibson" , - "PERSON: Jennifer Fostel" , - "PERSON: Melanie Courtot" , - "PERSON: Philippe Rocca-Serra" ; - obo:IAO_0000119 "GROUP: OBI PlanAndPlannedProcess Branch" ; - rdfs:label "manufacturing objective"@en . - - ### http://purl.obolibrary.org/obo/OBI_0000522 obo:OBI_0000522 rdf:type owl:Class ; rdfs:subClassOf obo:OBI_0000967 ; @@ -28070,6 +28103,10 @@ obo:OBI_0000571 rdf:type owl:Class ; obo:OBI_0000245 ) ] + ] , + [ rdf:type owl:Restriction ; + owl:onProperty obo:BFO_0000054 ; + owl:allValuesFrom obo:OBI_0000457 ] ; obo:IAO_0000111 "manufacturer role" ; obo:IAO_0000112 "With respect to The Accuri C6 Flow Cytometer System, the organization Accuri bears the role manufacturer role. With respect to a transformed line of tissue culture cells derived by a specific lab, the lab whose personnel isolated the cll line bears the role manufacturer role. With respect to a specific antibody produced by an individual scientist, the scientist who purifies, characterizes and distributes the anitbody bears the role manufacturer role." ; @@ -28230,14 +28267,6 @@ obo:OBI_0400107 rdf:type owl:Class ; rdfs:label "computer" . -### http://purl.obolibrary.org/obo/UBERON_0000465 -obo:UBERON_0000465 rdf:type owl:Class . - - -### http://purl.obolibrary.org/obo/UBERON_0000477 -obo:UBERON_0000477 rdf:type owl:Class . - - ### http://www.geneontology.org/formats/oboInOwl#ObsoleteClass oboInOwl:ObsoleteClass rdf:type owl:Class . @@ -28962,6 +28991,7 @@ obo:IAO_0000121 rdf:type owl:NamedIndividual , obo:IAO_0000078 ; obo:IAO_0000111 "organizational term"@en ; obo:IAO_0000115 "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en ; + obo:IAO_0000117 "PERSON:Alan Ruttenberg" ; rdfs:label "organizational term"@en . @@ -29185,6 +29215,14 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , ] . +[ rdf:type owl:AllDisjointClasses ; + owl:members ( obo:BFO_0000004 + obo:BFO_0000020 + obo:BFO_0000031 + ) +] . + + [ rdf:type owl:AllDifferent ; owl:distinctMembers ( obo:IAO_0000120 obo:IAO_0000121 @@ -29207,4 +29245,112 @@ obo:OMO_0001002 rdf:type owl:NamedIndividual , ] . +################################################################# +# Rules +################################################################# + + rdf:type swrl:Variable . + + rdf:type swrl:Variable . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000016 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000091 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000019 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000086 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000023 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000087 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + +[ rdf:type swrl:Imp ; + swrl:body [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:ClassAtom ; + swrl:classPredicate obo:BFO_0000034 ; + swrl:argument1 + ] ; + rdf:rest [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000053 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] ; + swrl:head [ rdf:type swrl:AtomList ; + rdf:first [ rdf:type swrl:IndividualPropertyAtom ; + swrl:propertyPredicate obo:RO_0000085 ; + swrl:argument1 ; + swrl:argument2 + ] ; + rdf:rest rdf:nil + ] + ] . + ### Generated by the OWL API (version 4.5.29) https://github.com/owlcs/owlapi diff --git a/src/ontology/imports/bfo_import.owl b/src/ontology/imports/bfo_import.owl index ebf3740..13a2a47 100644 --- a/src/ontology/imports/bfo_import.owl +++ b/src/ontology/imports/bfo_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -64,6 +65,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty(rdfs:isDefinedBy)) Declaration(AnnotationProperty(rdfs:seeAlso)) diff --git a/src/ontology/imports/chebi_import.owl b/src/ontology/imports/chebi_import.owl index 81f9a10..081f6c4 100644 --- a/src/ontology/imports/chebi_import.owl +++ b/src/ontology/imports/chebi_import.owl @@ -7,8 +7,9 @@ Prefix(rdfs:=) Ontology( - -Annotation(owl:versionInfo "2025-03-17") + +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -201,6 +202,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) diff --git a/src/ontology/imports/iao_import.owl b/src/ontology/imports/iao_import.owl index e30e2f9..1469299 100644 --- a/src/ontology/imports/iao_import.owl +++ b/src/ontology/imports/iao_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -69,6 +70,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) ############################ # Annotation Properties diff --git a/src/ontology/imports/obi_import.owl b/src/ontology/imports/obi_import.owl index d11589e..1c95360 100644 --- a/src/ontology/imports/obi_import.owl +++ b/src/ontology/imports/obi_import.owl @@ -7,16 +7,24 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-02-18") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) +Declaration(Class()) Declaration(Class()) +Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -26,9 +34,7 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) -Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) @@ -38,9 +44,9 @@ Declaration(Class()) Declaration(Class()) Declaration(Class()) Declaration(Class()) -Declaration(Class()) -Declaration(Class()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) @@ -49,15 +55,44 @@ Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(ObjectProperty()) +Declaration(ObjectProperty()) +Declaration(ObjectProperty()) Declaration(ObjectProperty()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) +Declaration(NamedIndividual()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -68,7 +103,14 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) @@ -76,7 +118,9 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(Datatype(xsd:date)) @@ -84,6 +128,72 @@ Declaration(Datatype(xsd:date)) # Object Properties ############################ +# Object Property: (part of) + +AnnotationAssertion( "is part of"@en) +AnnotationAssertion( "my brain is part of my body (continuant parthood, two material entities)"@en) +AnnotationAssertion( "my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)"@en) +AnnotationAssertion( "this day is part of this year (occurrent parthood)"@en) +AnnotationAssertion( "a core relation that holds between a part and its whole"@en) +AnnotationAssertion( "Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other."@en) +AnnotationAssertion( "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/"@en) +AnnotationAssertion( "Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) + +A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'."@en) +AnnotationAssertion( "part_of"@en) +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "part of"@en) +AnnotationAssertion(rdfs:seeAlso "http://www.obofoundry.org/ro/#OBO_REL:part_of") +InverseObjectProperties( ) +TransitiveObjectProperty() + +# Object Property: (has part) + +AnnotationAssertion( "has part"@en) +AnnotationAssertion( "my body has part my brain (continuant parthood, two material entities)"@en) +AnnotationAssertion( "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)"@en) +AnnotationAssertion( "this year has part this day (occurrent parthood)"@en) +AnnotationAssertion( "a core relation that holds between a whole and its part"@en) +AnnotationAssertion( "Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part."@en) +AnnotationAssertion( "Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/"@en) +AnnotationAssertion( "Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) + +A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'."@en) +AnnotationAssertion( "has_part"@en) +AnnotationAssertion( ) +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "has part"@en) +TransitiveObjectProperty() + +# Object Property: (realized in) + +AnnotationAssertion( "realized in"@en) +AnnotationAssertion( "this disease is realized in this disease course"@en) +AnnotationAssertion( "this fragility is realized in this shattering"@en) +AnnotationAssertion( "this investigator role is realized in this investigation"@en) +AnnotationAssertion( "is realized by"@en) +AnnotationAssertion( "realized_in"@en) +AnnotationAssertion( "[copied from inverse property 'realizes'] to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])"@en) +AnnotationAssertion(rdfs:comment "Paraphrase of elucidation: a relation between a realizable entity and a process, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "realized in"@en) +InverseObjectProperties( ) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (realizes) + +AnnotationAssertion( "realizes"@en) +AnnotationAssertion( "this disease course realizes this disease"@en) +AnnotationAssertion( "this investigation realizes this investigator role"@en) +AnnotationAssertion( "this shattering realizes this fragility"@en) +AnnotationAssertion( "to say that b realizes c at t is to assert that there is some material entity d & b is a process which has participant d at t & c is a disposition or role of which d is bearer_of at t& the type instantiated by b is correlated with the type instantiated by c. (axiom label in BFO2 Reference: [059-003])"@en) +AnnotationAssertion(rdfs:comment "Paraphrase of elucidation: a relation between a process and a realizable entity, where there is some material entity that is bearer of the realizable entity and participates in the process, and the realizable entity comes to be realized in the course of the process") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "realizes"@en) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + # Object Property: (has specified input) AnnotationAssertion( "has specified input") @@ -163,7 +273,6 @@ AnnotationAssertion( "achieves_planned_objective") InverseObjectProperties( ) ObjectPropertyDomain( ) -ObjectPropertyRange( ) # Object Property: (objective_achieved_by) @@ -173,15 +282,471 @@ AnnotationAssertion( "OBI") AnnotationAssertion( "OBI") AnnotationAssertion(rdfs:label "objective_achieved_by") -ObjectPropertyDomain( ) ObjectPropertyRange( ) +# Object Property: (has value specification) + +AnnotationAssertion( "has value specification") +AnnotationAssertion( ) +AnnotationAssertion( "A relation between an information content entity and a value specification that specifies its value."@en) +AnnotationAssertion( "PERSON: James A. Overton") +AnnotationAssertion( "OBI") +AnnotationAssertion(rdfs:label "has value specification") +SubObjectPropertyOf( ) + +# Object Property: (characteristic of) + +AnnotationAssertion( "inheres in"@en) +AnnotationAssertion( "this fragility is a characteristic of this vase"@en) +AnnotationAssertion( "this red color is a characteristic of this apple"@en) +AnnotationAssertion( "a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence."@en) +AnnotationAssertion( "inheres_in"@en) +AnnotationAssertion( ) +AnnotationAssertion(rdfs:comment "Note that this relation was previously called \"inheres in\", but was changed to be called \"characteristic of\" because BFO2 uses \"inheres in\" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing.") +AnnotationAssertion(rdfs:label "characteristic of"@en) +InverseObjectProperties( ) +FunctionalObjectProperty() + +# Object Property: (has characteristic) + +AnnotationAssertion( "bearer of"@en) +AnnotationAssertion( "this apple is bearer of this red color"@en) +AnnotationAssertion( "this vase is bearer of this fragility"@en) +AnnotationAssertion( "Inverse of characteristic_of"@en) +AnnotationAssertion( "A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist."@en) +AnnotationAssertion( "bearer_of"@en) +AnnotationAssertion( "is bearer of"@en) +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "has characteristic"@en) +InverseFunctionalObjectProperty() +ObjectPropertyRange( ) + +# Object Property: (participates in) + +AnnotationAssertion( "participates in"@en) +AnnotationAssertion( "this blood clot participates in this blood coagulation"@en) +AnnotationAssertion( "this input material (or this output material) participates in this process"@en) +AnnotationAssertion( "this investigator participates in this investigation"@en) +AnnotationAssertion( "a relation between a continuant and a process, in which the continuant is somehow involved in the process"@en) +AnnotationAssertion( "participates_in"@en) +AnnotationAssertion(rdfs:label "participates in"@en) +InverseObjectProperties( ) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (has participant) + +AnnotationAssertion( "has participant"@en) +AnnotationAssertion( "this blood coagulation has participant this blood clot"@en) +AnnotationAssertion( "this investigation has participant this investigator"@en) +AnnotationAssertion( "this process has participant this input material (or this output material)"@en) +AnnotationAssertion( "a relation between a process and a continuant, in which the continuant is somehow involved in the process"@en) +AnnotationAssertion( "Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time."@en) +AnnotationAssertion( "has_participant"@en) +AnnotationAssertion( "http://www.obofoundry.org/ro/#OBO_REL:has_participant") +AnnotationAssertion(rdfs:label "has participant"@en) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (is concretized as) + +AnnotationAssertion( "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en) +AnnotationAssertion( "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en) +AnnotationAssertion( "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en) +AnnotationAssertion(rdfs:label "is concretized as"@en) +InverseObjectProperties( ) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (concretizes) + +AnnotationAssertion( "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en) +AnnotationAssertion( "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en) +AnnotationAssertion( "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en) +AnnotationAssertion(rdfs:label "concretizes"@en) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (function of) + +AnnotationAssertion( "this catalysis function is a function of this enzyme"@en) +AnnotationAssertion( "a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence"@en) +AnnotationAssertion( "A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists."@en) +AnnotationAssertion( "function_of"@en) +AnnotationAssertion( "is function of"@en) +AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") +AnnotationAssertion(rdfs:label "function of"@en) +SubObjectPropertyOf( ) +InverseObjectProperties( ) +ObjectPropertyDomain( ) + +# Object Property: (quality of) + +AnnotationAssertion( "this red color is a quality of this apple"@en) +AnnotationAssertion( "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en) +AnnotationAssertion( "A quality inheres in its bearer at all times for which the quality exists."@en) +AnnotationAssertion( "is quality of"@en) +AnnotationAssertion( "quality_of"@en) +AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") +AnnotationAssertion(rdfs:label "quality of"@en) +SubObjectPropertyOf( ) +InverseObjectProperties( ) + +# Object Property: (role of) + +AnnotationAssertion( "this investigator role is a role of this person"@en) +AnnotationAssertion( "a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence"@en) +AnnotationAssertion( "A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists."@en) +AnnotationAssertion( "is role of"@en) +AnnotationAssertion( "role_of"@en) +AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") +AnnotationAssertion(rdfs:label "role of"@en) +SubObjectPropertyOf( ) +InverseObjectProperties( ) + +# Object Property: (has function) + +AnnotationAssertion( "this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function)"@en) +AnnotationAssertion( "a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence"@en) +AnnotationAssertion( "A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists."@en) +AnnotationAssertion( "has_function"@en) +AnnotationAssertion(rdfs:label "has function"@en) +SubObjectPropertyOf( ) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (has quality) + +AnnotationAssertion( "this apple has quality this red color"@en) +AnnotationAssertion( "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en) +AnnotationAssertion( "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en) +AnnotationAssertion( "has_quality"@en) +AnnotationAssertion(rdfs:label "has quality"@en) +SubObjectPropertyOf( ) +ObjectPropertyRange( ) + +# Object Property: (has role) + +AnnotationAssertion( "this person has role this investigator role (more colloquially: this person has this role of investigator)"@en) +AnnotationAssertion( "a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence"@en) +AnnotationAssertion( "A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists."@en) +AnnotationAssertion( "has_role"@en) +AnnotationAssertion(rdfs:label "has role"@en) +SubObjectPropertyOf( ) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (has disposition) + +AnnotationAssertion( "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence"@en) +AnnotationAssertion(rdfs:label "has disposition"@en) +SubObjectPropertyOf( ) +InverseObjectProperties( ) +ObjectPropertyDomain( ) +ObjectPropertyRange( ) + +# Object Property: (disposition of) + +AnnotationAssertion(rdfs:comment "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020.") +AnnotationAssertion(rdfs:label "disposition of"@en) +SubObjectPropertyOf( ) + +# Object Property: (member of) + +AnnotationAssertion( "An organism that is a member of a population of organisms") +AnnotationAssertion( "is member of is a mereological relation between a item and a collection.") +AnnotationAssertion( "is member of") +AnnotationAssertion( "member part of") +AnnotationAssertion( "SIO") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "member of"@en) +SubObjectPropertyOf( ) +InverseObjectProperties( ) + +# Object Property: (has member) + +AnnotationAssertion( "has member is a mereological relation between a collection and an item.") +AnnotationAssertion( "SIO") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "has member"@en) +SubObjectPropertyOf( ) +IrreflexiveObjectProperty() + ############################ # Classes ############################ +# Class: (entity) + +AnnotationAssertion( "entity") +AnnotationAssertion( "Entity") +AnnotationAssertion( "Julius Caesar"@en) +AnnotationAssertion( "Verdi’s Requiem"@en) +AnnotationAssertion( "the Second World War"@en) +AnnotationAssertion( "your body mass index"@en) +AnnotationAssertion( "BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81"@en) +AnnotationAssertion(Annotation( ) Annotation(rdfs:comment "per discussion with Barry Smith") Annotation(rdfs:seeAlso ) "Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf"@en) +AnnotationAssertion(Annotation( ) "An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001])"@en) +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "entity"@en) + +# Class: (continuant) + +AnnotationAssertion( "continuant") +AnnotationAssertion( "Continuant") +AnnotationAssertion( "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en) +AnnotationAssertion( "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en) +AnnotationAssertion(Annotation( ) "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en) +AnnotationAssertion(Annotation( ) "A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002])"@en) +AnnotationAssertion(Annotation( ) "if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001])"@en) +AnnotationAssertion(Annotation( ) "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en) +AnnotationAssertion(Annotation( ) "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en) +AnnotationAssertion(Annotation( ) "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] ") +AnnotationAssertion(Annotation( ) "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "continuant"@en) +SubClassOf( ) +DisjointClasses( ) +DisjointClasses( ObjectSomeValuesFrom( )) + +# Class: (occurrent) + +AnnotationAssertion( "occurrent") +AnnotationAssertion( "Occurrent") +AnnotationAssertion( "An entity that has temporal parts and that happens, unfolds or develops through time."@en) +AnnotationAssertion( "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en) +AnnotationAssertion( "BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players."@en) +AnnotationAssertion(Annotation( ) Annotation(rdfs:comment "per discussion with Barry Smith") "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en) +AnnotationAssertion(Annotation( ) "Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame.") +AnnotationAssertion(Annotation( ) "An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002])"@en) +AnnotationAssertion(Annotation( ) "Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001])"@en) +AnnotationAssertion(Annotation( ) "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en) +AnnotationAssertion(Annotation( ) "(forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] ") +AnnotationAssertion(Annotation( ) "(forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "occurrent"@en) +SubClassOf( ) +DisjointClasses( ObjectSomeValuesFrom( )) + +# Class: (independent continuant) + +AnnotationAssertion( "ic") +AnnotationAssertion( "IndependentContinuant") +AnnotationAssertion( "a chair"@en) +AnnotationAssertion( "a heart"@en) +AnnotationAssertion( "a leg"@en) +AnnotationAssertion( "a molecule"@en) +AnnotationAssertion( "a spatial region"@en) +AnnotationAssertion( "an atom"@en) +AnnotationAssertion( "an orchestra."@en) +AnnotationAssertion( "an organism"@en) +AnnotationAssertion( "the bottom right portion of a human torso"@en) +AnnotationAssertion( "the interior of your mouth"@en) +AnnotationAssertion(Annotation( ) "b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002])"@en) +AnnotationAssertion(Annotation( ) "For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001])"@en) +AnnotationAssertion(Annotation( ) "For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002])"@en) +AnnotationAssertion(Annotation( ) "(forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] ") +AnnotationAssertion(Annotation( ) "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] ") +AnnotationAssertion(Annotation( ) "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] ") +AnnotationAssertion(rdfs:comment "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything."@en) +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "independent continuant"@en) +SubClassOf( ) +DisjointClasses( ) +DisjointClasses( ) + +# Class: (process) + +AnnotationAssertion( "process") +AnnotationAssertion( "Process") +AnnotationAssertion( "a process of cell-division, \\ a beating of the heart"@en) +AnnotationAssertion( "a process of meiosis"@en) +AnnotationAssertion( "a process of sleeping"@en) +AnnotationAssertion( "the course of a disease"@en) +AnnotationAssertion( "the flight of a bird"@en) +AnnotationAssertion( "the life of an organism"@en) +AnnotationAssertion( "your process of aging."@en) +AnnotationAssertion(Annotation( ) "p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003])"@en) +AnnotationAssertion( "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en) +AnnotationAssertion(Annotation( ) "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] ") +AnnotationAssertion(rdfs:comment "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en) +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "process"@en) +SubClassOf( ) + +# Class: (disposition) + +AnnotationAssertion( "disposition") +AnnotationAssertion( "Disposition") +AnnotationAssertion( "an atom of element X has the disposition to decay to an atom of element Y"@en) +AnnotationAssertion( "certain people have a predisposition to colon cancer"@en) +AnnotationAssertion( "children are innately disposed to categorize objects in certain ways."@en) +AnnotationAssertion( "the cell wall is disposed to filter chemicals in endocytosis and exocytosis"@en) +AnnotationAssertion( "BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type."@en) +AnnotationAssertion(Annotation( ) "b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002])"@en) +AnnotationAssertion(Annotation( ) "If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002])"@en) +AnnotationAssertion(Annotation( ) "(forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "disposition"@en) +SubClassOf( ) +DisjointClasses( ) + +# Class: (realizable entity) + +AnnotationAssertion( "realizable") +AnnotationAssertion( "RealizableEntity") +AnnotationAssertion( "the disposition of this piece of metal to conduct electricity."@en) +AnnotationAssertion( "the disposition of your blood to coagulate"@en) +AnnotationAssertion( "the function of your reproductive organs"@en) +AnnotationAssertion( "the role of being a doctor"@en) +AnnotationAssertion( "the role of this boundary to delineate where Utah and Colorado meet"@en) +AnnotationAssertion( "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en) +AnnotationAssertion(Annotation( ) "To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002])"@en) +AnnotationAssertion(Annotation( ) "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en) +AnnotationAssertion(Annotation( ) "(forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "realizable entity"@en) +SubClassOf( ) +DisjointClasses( ) + +# Class: (quality) + +AnnotationAssertion( "quality") +AnnotationAssertion( "Quality") +AnnotationAssertion( "the ambient temperature of this portion of air"@en) +AnnotationAssertion( "the color of a tomato"@en) +AnnotationAssertion( "the length of the circumference of your waist"@en) +AnnotationAssertion( "the mass of this piece of gold."@en) +AnnotationAssertion( "the shape of your nose"@en) +AnnotationAssertion( "the shape of your nostril"@en) +AnnotationAssertion(Annotation( ) "a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001])"@en) +AnnotationAssertion(Annotation( ) "If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001])"@en) +AnnotationAssertion(Annotation( ) "(forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "quality"@en) +SubClassOf( ) + +# Class: (specifically dependent continuant) + +AnnotationAssertion( "sdc") +AnnotationAssertion( "SpecificallyDependentContinuant") +AnnotationAssertion( "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en) +AnnotationAssertion( "of one-sided specifically dependent continuants: the mass of this tomato"@en) +AnnotationAssertion( "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en) +AnnotationAssertion( "the disposition of this fish to decay"@en) +AnnotationAssertion( "the function of this heart: to pump blood"@en) +AnnotationAssertion( "the mutual dependence of proton donors and acceptors in chemical reactions [79"@en) +AnnotationAssertion( "the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction"@en) +AnnotationAssertion( "the pink color of a medium rare piece of grilled filet mignon at its center"@en) +AnnotationAssertion( "the role of being a doctor"@en) +AnnotationAssertion( "the shape of this hole."@en) +AnnotationAssertion( "the smell of this portion of mozzarella"@en) +AnnotationAssertion(Annotation( ) "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en) +AnnotationAssertion(Annotation( ) "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en) +AnnotationAssertion(Annotation( ) Annotation(rdfs:comment "per discussion with Barry Smith") "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en) +AnnotationAssertion(Annotation( ) "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] ") +AnnotationAssertion(Annotation( ) "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] ") +AnnotationAssertion(rdfs:comment "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en) +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "specifically dependent continuant"@en) +SubClassOf( ) +DisjointClasses( ) + +# Class: (role) + +AnnotationAssertion( "role") +AnnotationAssertion( "Role") +AnnotationAssertion( "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en) +AnnotationAssertion( "the priest role"@en) +AnnotationAssertion( "the role of a boundary to demarcate two neighboring administrative territories"@en) +AnnotationAssertion( "the role of a building in serving as a military target"@en) +AnnotationAssertion( "the role of a stone in marking a property boundary"@en) +AnnotationAssertion( "the role of subject in a clinical trial"@en) +AnnotationAssertion( "the student role"@en) +AnnotationAssertion( "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en) +AnnotationAssertion( "BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives."@en) +AnnotationAssertion(Annotation( ) "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en) +AnnotationAssertion(Annotation( ) "(forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "role"@en) +SubClassOf( ) + +# Class: (generically dependent continuant) + +AnnotationAssertion( "gdc") +AnnotationAssertion( "GenericallyDependentContinuant") +AnnotationAssertion( "The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity."@en) +AnnotationAssertion( "the pdf file on your laptop, the pdf file that is a copy thereof on my laptop"@en) +AnnotationAssertion( "the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule."@en) +AnnotationAssertion(Annotation( ) "b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001])"@en) +AnnotationAssertion(Annotation( ) "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] ") +AnnotationAssertion(rdfs:comment "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time."@en) +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "generically dependent continuant"@en) +SubClassOf( ) + +# Class: (function) + +AnnotationAssertion( "function") +AnnotationAssertion( "Function") +AnnotationAssertion( "the function of a hammer to drive in nails"@en) +AnnotationAssertion( "the function of a heart pacemaker to regulate the beating of a heart through electricity"@en) +AnnotationAssertion( "the function of amylase in saliva to break down starch into sugar"@en) +AnnotationAssertion( "BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc."@en) +AnnotationAssertion(Annotation( ) "A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001])"@en) +AnnotationAssertion(Annotation( ) "(forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "function"@en) +SubClassOf( ) + +# Class: (material entity) + +AnnotationAssertion( "material") +AnnotationAssertion( "MaterialEntity") +AnnotationAssertion( "material entity"@en) +AnnotationAssertion( "a flame"@en) +AnnotationAssertion( "a forest fire"@en) +AnnotationAssertion( "a human being"@en) +AnnotationAssertion( "a hurricane"@en) +AnnotationAssertion( "a photon"@en) +AnnotationAssertion( "a puff of smoke"@en) +AnnotationAssertion( "a sea wave"@en) +AnnotationAssertion( "a tornado"@en) +AnnotationAssertion( "an aggregate of human beings."@en) +AnnotationAssertion( "an energy wave"@en) +AnnotationAssertion( "an epidemic"@en) +AnnotationAssertion( "the undetached arm of a human being"@en) +AnnotationAssertion( "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en) +AnnotationAssertion( "BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60"@en) +AnnotationAssertion( "BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity."@en) +AnnotationAssertion( "BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here."@en) +AnnotationAssertion( ) +AnnotationAssertion(Annotation( ) "A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002])"@en) +AnnotationAssertion(Annotation( ) "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en) +AnnotationAssertion(Annotation( ) "every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002])"@en) +AnnotationAssertion(Annotation( ) "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] ") +AnnotationAssertion(Annotation( ) "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] ") +AnnotationAssertion(rdfs:isDefinedBy ) +AnnotationAssertion(rdfs:label "material entity"@en) +SubClassOf( ) + +# Class: (Homo sapiens) + +AnnotationAssertion( "Homo sapiens") +AnnotationAssertion( "human") +AnnotationAssertion( "human being") +AnnotationAssertion( ) +AnnotationAssertion(rdfs:label "Homo sapiens") +SubClassOf( ) + # Class: (planned process) AnnotationAssertion( "planned process") @@ -196,7 +761,6 @@ AnnotationAssertion( "This class merges the previously separated objective driven process and planned process, as they the separation proved hard to maintain. (1/22/09, branch call)"@en) AnnotationAssertion( "6/11/9: Edited at workshop. Used to include: is initiated by an agent") AnnotationAssertion(rdfs:label "planned process"@en) -EquivalentClasses( ObjectSomeValuesFrom( ObjectSomeValuesFrom( ))) SubClassOf( ) # Class: (processed material) @@ -224,7 +788,6 @@ AnnotationAssertion( "material transformation"@en) AnnotationAssertion( "OBI branch derived"@en) AnnotationAssertion(rdfs:label "material processing"@en) -EquivalentClasses( ObjectSomeValuesFrom( )) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectAllValuesFrom( )) @@ -321,22 +884,6 @@ AnnotationAssertion(rdfs:label "con SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (material transformation objective) - -AnnotationAssertion( "material transformation objective") -AnnotationAssertion( "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS.") -AnnotationAssertion( ) -AnnotationAssertion( "an objective specifiction that creates an specific output object from input materials."@en) -AnnotationAssertion( "PERSON: Bjoern Peters") -AnnotationAssertion( "PERSON: Frank Gibson") -AnnotationAssertion( "PERSON: Jennifer Fostel") -AnnotationAssertion( "PERSON: Melanie Courtot") -AnnotationAssertion( "PERSON: Philippe Rocca-Serra") -AnnotationAssertion( "artifact creation objective"@en) -AnnotationAssertion( "GROUP: OBI PlanAndPlannedProcess Branch") -AnnotationAssertion(rdfs:label "material transformation objective"@en) -SubClassOf( ) - # Class: (manufacturing) AnnotationAssertion( "manufacturing") @@ -352,25 +899,10 @@ AnnotationAssertion( "PERSON: Philippe Rocca-Serra") AnnotationAssertion( "GROUP: OBI PlanAndPlannedProcess Branch") AnnotationAssertion(rdfs:label "manufacturing"@en) -EquivalentClasses( ObjectSomeValuesFrom( )) SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( )) SubClassOf( ObjectSomeValuesFrom( )) -# Class: (manufacturing objective) - -AnnotationAssertion( "manufacturing objective") -AnnotationAssertion( ) -AnnotationAssertion( "is the objective to manufacture a material of a certain function (device)"@en) -AnnotationAssertion( "PERSON: Bjoern Peters") -AnnotationAssertion( "PERSON: Frank Gibson") -AnnotationAssertion( "PERSON: Jennifer Fostel") -AnnotationAssertion( "PERSON: Melanie Courtot") -AnnotationAssertion( "PERSON: Philippe Rocca-Serra") -AnnotationAssertion( "GROUP: OBI PlanAndPlannedProcess Branch") -AnnotationAssertion(rdfs:label "manufacturing objective"@en) -SubClassOf( ) - # Class: (vial) AnnotationAssertion( "vial") @@ -392,6 +924,7 @@ AnnotationAssertion( "manufacturer role") SubClassOf( ) SubClassOf( ObjectSomeValuesFrom( ObjectUnionOf( ))) +SubClassOf( ObjectAllValuesFrom( )) # Class: (measurement device) @@ -496,4 +1029,135 @@ SubClassOf( ObjectSomeValuesFrom( )) +############################ +# Named Individuals +############################ + +# Individual: (example to be eventually removed) + +AnnotationAssertion( "example to be eventually removed"@en) +AnnotationAssertion(rdfs:label "example to be eventually removed"@en) + +# Individual: (failed exploratory term) + +AnnotationAssertion( "failed exploratory term"@en) +AnnotationAssertion( "The term was used in an attempt to structure part of the ontology but in retrospect failed to do a good job"@en) +AnnotationAssertion( "Person:Alan Ruttenberg"@en) +AnnotationAssertion(rdfs:label "failed exploratory term"@en) + +# Individual: (metadata complete) + +AnnotationAssertion( "metadata complete"@en) +AnnotationAssertion( "Class has all its metadata, but is either not guaranteed to be in its final location in the asserted IS_A hierarchy or refers to another class that is not complete."@en) +AnnotationAssertion(rdfs:label "metadata complete"@en) + +# Individual: (organizational term) + +AnnotationAssertion( "organizational term"@en) +AnnotationAssertion( "Term created to ease viewing/sort terms for development purpose, and will not be included in a release"@en) +AnnotationAssertion( "PERSON:Alan Ruttenberg") +AnnotationAssertion(rdfs:label "organizational term"@en) + +# Individual: (ready for release) + +AnnotationAssertion( "ready for release"@en) +AnnotationAssertion( "Class has undergone final review, is ready for use, and will be included in the next release. Any class lacking \"ready_for_release\" should be considered likely to change place in hierarchy, have its definition refined, or be obsoleted in the next release. Those classes deemed \"ready_for_release\" will also derived from a chain of ancestor classes that are also \"ready_for_release.\""@en) +AnnotationAssertion(rdfs:label "ready for release"@en) + +# Individual: (metadata incomplete) + +AnnotationAssertion( "metadata incomplete"@en) +AnnotationAssertion( "Class is being worked on; however, the metadata (including definition) are not complete or sufficiently clear to the branch editors."@en) +AnnotationAssertion(rdfs:label "metadata incomplete"@en) + +# Individual: (uncurated) + +AnnotationAssertion( "uncurated"@en) +AnnotationAssertion( "Nothing done yet beyond assigning a unique class ID and proposing a preferred term."@en) +AnnotationAssertion(rdfs:label "uncurated"@en) + +# Individual: (pending final vetting) + +AnnotationAssertion( "pending final vetting"@en) +AnnotationAssertion( "All definitions, placement in the asserted IS_A hierarchy and required minimal metadata are complete. The class is awaiting a final review by someone other than the term editor."@en) +AnnotationAssertion(rdfs:label "pending final vetting"@en) + +# Individual: (placeholder removed) + +AnnotationAssertion( "placeholder removed"@en) +AnnotationAssertion(rdfs:label "placeholder removed"@en) + +# Individual: (terms merged) + +AnnotationAssertion( "terms merged"@en) +AnnotationAssertion( "An editor note should explain what were the merged terms and the reason for the merge."@en) +AnnotationAssertion(rdfs:label "terms merged"@en) + +# Individual: (term imported) + +AnnotationAssertion( "term imported"@en) +AnnotationAssertion( "This is to be used when the original term has been replaced by a term imported from an other ontology. An editor note should indicate what is the URI of the new term to use."@en) +AnnotationAssertion(rdfs:label "term imported"@en) + +# Individual: (term split) + +AnnotationAssertion( "term split"@en) +AnnotationAssertion( "This is to be used when a term has been split in two or more new terms. An editor note should indicate the reason for the split and indicate the URIs of the new terms created."@en) +AnnotationAssertion(rdfs:label "term split"@en) + +# Individual: (universal) + +AnnotationAssertion( "universal"@en) +AnnotationAssertion( "Hard to give a definition for. Intuitively a \"natural kind\" rather than a collection of any old things, which a class is able to be, formally. At the meta level, universals are defined as positives, are disjoint with their siblings, have single asserted parents."@en) +AnnotationAssertion( "Alan Ruttenberg"@en) +AnnotationAssertion( "A Formal Theory of Substances, Qualities, and Universals, http://ontology.buffalo.edu/bfo/SQU.pdf"@en) +AnnotationAssertion(rdfs:label "universal"@en) + +# Individual: (defined class) + +AnnotationAssertion( "defined class"@en) +AnnotationAssertion( "A defined class is a class that is defined by a set of logically necessary and sufficient conditions but is not a universal"@en) +AnnotationAssertion( "\"definitions\", in some readings, always are given by necessary and sufficient conditions. So one must be careful (and this is difficult sometimes) to distinguish between defined classes and universal."@en) +AnnotationAssertion( "Alan Ruttenberg"@en) +AnnotationAssertion(rdfs:label "defined class"@en) + +# Individual: (named class expression) + +AnnotationAssertion( "named class expression"@en) +AnnotationAssertion( "A named class expression is a logical expression that is given a name. The name can be used in place of the expression."@en) +AnnotationAssertion( "named class expressions are used in order to have more concise logical definition but their extensions may not be interesting classes on their own. In languages such as OWL, with no provisions for macros, these show up as actuall classes. Tools may with to not show them as such, and to replace uses of the macros with their expansions"@en) +AnnotationAssertion( "Alan Ruttenberg"@en) +AnnotationAssertion(rdfs:label "named class expression"@en) + +# Individual: (to be replaced with external ontology term) + +AnnotationAssertion( "to be replaced with external ontology term"@en) +AnnotationAssertion( "Terms with this status should eventually replaced with a term from another ontology."@en) +AnnotationAssertion( "Alan Ruttenberg"@en) +AnnotationAssertion( "group:OBI"@en) +AnnotationAssertion(rdfs:label "to be replaced with external ontology term"@en) + +# Individual: (requires discussion) + +AnnotationAssertion( "requires discussion"@en) +AnnotationAssertion( "A term that is metadata complete, has been reviewed, and problems have been identified that require discussion before release. Such a term requires editor note(s) to identify the outstanding issues."@en) +AnnotationAssertion( "Alan Ruttenberg"@en) +AnnotationAssertion( "group:OBI"@en) +AnnotationAssertion(rdfs:label "requires discussion"@en) + +# Individual: (out of scope) + +AnnotationAssertion( "The term was added to the ontology on the assumption it was in scope, but it turned out later that it was not."@en) +AnnotationAssertion( "This obsolesence reason should be used conservatively. Typical valid examples are: un-necessary grouping classes in disease ontologies, a phenotype term added on the assumption it was a disease."@en) +AnnotationAssertion( ) +AnnotationAssertion( "https://github.com/information-artifact-ontology/ontology-metadata/issues/77") +AnnotationAssertion( "https://orcid.org/0000-0001-5208-3432") +AnnotationAssertion(rdfs:label "out of scope") + + +DisjointClasses( ) +DLSafeRule(Body(ClassAtom( Variable()) ObjectPropertyAtom( Variable() Variable()))Head(ObjectPropertyAtom( Variable() Variable()))) +DLSafeRule(Body(ClassAtom( Variable()) ObjectPropertyAtom( Variable() Variable()))Head(ObjectPropertyAtom( Variable() Variable()))) +DLSafeRule(Body(ClassAtom( Variable()) ObjectPropertyAtom( Variable() Variable()))Head(ObjectPropertyAtom( Variable() Variable()))) +DLSafeRule(Body(ClassAtom( Variable()) ObjectPropertyAtom( Variable() Variable()))Head(ObjectPropertyAtom( Variable() Variable()))) ) \ No newline at end of file diff --git a/src/ontology/imports/omo_import.owl b/src/ontology/imports/omo_import.owl index 732ce45..735b213 100644 --- a/src/ontology/imports/omo_import.owl +++ b/src/ontology/imports/omo_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) diff --git a/src/ontology/imports/ro_import.owl b/src/ontology/imports/ro_import.owl index 4ff198a..d7bedb1 100644 --- a/src/ontology/imports/ro_import.owl +++ b/src/ontology/imports/ro_import.owl @@ -7,9 +7,10 @@ Prefix(rdfs:=) Ontology( - + Annotation( ) -Annotation(owl:versionInfo "2025-03-17") +Annotation( "2025-03-20") +Annotation(owl:versionInfo "2025-03-20") Declaration(Class()) Declaration(Class()) @@ -67,6 +68,7 @@ Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) +Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) Declaration(AnnotationProperty()) From fee3a1a6f473052a9ec8918e95c5eab757979345 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Philip=20Str=C3=B6mert?= Date: Fri, 21 Mar 2025 09:45:53 +0100 Subject: [PATCH 21/21] Update diff files --- diff_nmrCV1.1-nmrCV_2025-03-20.html | 246 ++++++++++++++---------- diff_nmrCV1.1-nmrCV_2025-03-20.md | 286 +++++++++++++++++----------- 2 files changed, 329 insertions(+), 203 deletions(-) diff --git a/diff_nmrCV1.1-nmrCV_2025-03-20.html b/diff_nmrCV1.1-nmrCV_2025-03-20.html index c0c2cd8..92ab625 100644 --- a/diff_nmrCV1.1-nmrCV_2025-03-20.html +++ b/diff_nmrCV1.1-nmrCV_2025-03-20.html @@ -3060,6 +3060,23 @@

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                                                                                                                                                                                                                                                                                                                                                                                                            Homo sapiens - http://purl.obolibrary.org/obo/NCBITaxon_9606

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                                                                                                                                                                                                                                                                                                                                                                                                            Hyphenated NMR instrument - http://nmrML.org/nmrCV#NMR:1400200

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                                                                                                                                                                                                                                                                                                                                                                                                            Siemens AG - http://nmrML.org/nmrCV#NMR:1000393

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                                                                                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                                                                                            -
                                                                                                                                                                                                                                                                                                                                                                                                            -

                                                                                                                                                                                                                                                                                                                                                                                                            UBERON_0000465 - http://purl.obolibrary.org/obo/UBERON_0000465

                                                                                                                                                                                                                                                                                                                                                                                                            - - -

                                                                                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                                                                                            - - -
                                                                                                                                                                                                                                                                                                                                                                                                            - -
                                                                                                                                                                                                                                                                                                                                                                                                            -

                                                                                                                                                                                                                                                                                                                                                                                                            UBERON_0000477 - http://purl.obolibrary.org/obo/UBERON_0000477

                                                                                                                                                                                                                                                                                                                                                                                                            - - -

                                                                                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                                                                                            - - -
                                                                                                                                                                                                                                                                                                                                                                                                            -

                                                                                                                                                                                                                                                                                                                                                                                                            UK spelling synonym - http://purl.obolibrary.org/obo/OMO_0003005

                                                                                                                                                                                                                                                                                                                                                                                                            @@ -4858,7 +4856,6 @@

                                                                                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                                                                                          • ObjectProperty: achieves_planned_objective
                                                                                                                                                                                                                                                                                                                                                                                                            • achieves_planned_objective InverseOf objective_achieved_by
                                                                                                                                                                                                                                                                                                                                                                                                              • achieves_planned_objective Domain planned process
                                                                                                                                                                                                                                                                                                                                                                                                                  • -
                                                                                                                                                                                                                                                                                                                                                                                                                • achieves_planned_objective Range objective specification
                                                                                                                                                                                                                                                                                                                                                                                                                    • @@ -6273,9 +6270,11 @@

                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                    • concretizes label "concretizes"@en
                                                                                                                                                                                                                                                                                                                                                                                                                      • concretizes definition "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant."@en
                                                                                                                                                                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                                                                                                                                                                        • concretizes definition "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en
                                                                                                                                                                                                                                                                                                                                                                                                                          • concretizes example of usage "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en
                                                                                                                                                                                                                                                                                                                                                                                                                            • concretizes example of usage "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en
                                                                                                                                                                                                                                                                                                                                                                                                                              • ObjectProperty: concretizes
                                                                                                                                                                                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                                                                                                                                                                                • concretizes Domain specifically dependent continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                  • concretizes Domain process or specifically dependent continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                    • concretizes Range generically dependent continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                      @@ -6369,7 +6368,6 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                    • continuant has associated axiom(nl) "if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                    • continuant has associated axiom(fol) "(forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] "
                                                                                                                                                                                                                                                                                                                                                                                                                                    • continuant label "continuant"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                        • -
                                                                                                                                                                                                                                                                                                                                                                                                                                      • continuant isDefinedBy bfo.owl
                                                                                                                                                                                                                                                                                                                                                                                                                                        • continuant has associated axiom(nl) "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                        • continuant editor note "Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                        • continuant editor note "BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                            • @@ -6380,6 +6378,8 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                            Added

                                                                                                                                                                                                                                                                                                                                                                                                                                          • continuant has associated axiom(fol) "(forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] "
                                                                                                                                                                                                                                                                                                                                                                                                                                          • continuant has associated axiom(fol) "(forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] "
                                                                                                                                                                                                                                                                                                                                                                                                                                          • continuant has associated axiom(fol) "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] "
                                                                                                                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                                                                                                                          • continuant definition "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                                                                                                                                                                                            • continuant isDefinedBy bfo.owl
                                                                                                                                                                                                                                                                                                                                                                                                                                              • Class: continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                                • continuant DisjointWith part of some occurrent
                                                                                                                                                                                                                                                                                                                                                                                                                                                  • continuant DisjointWith occurrent
                                                                                                                                                                                                                                                                                                                                                                                                                                                      • @@ -7376,6 +7376,20 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                                                                                                                                                      disposition of - http://purl.obolibrary.org/obo/RO_0000092

                                                                                                                                                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                                                                                                                                                      documenter - http://usefulinc.com/ns/doap#documenter

                                                                                                                                                                                                                                                                                                                                                                                                                                                      @@ -8032,6 +8046,7 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                      +
                                                                                                                                                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                                                                                                                                                      has disposition - http://purl.obolibrary.org/obo/RO_0000091

                                                                                                                                                                                                                                                                                                                                                                                                                                                      + + +

                                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                      + + +
                                                                                                                                                                                                                                                                                                                                                                                                                                                      +

                                                                                                                                                                                                                                                                                                                                                                                                                                                      has function - http://purl.obolibrary.org/obo/RO_0000085

                                                                                                                                                                                                                                                                                                                                                                                                                                                      @@ -8377,6 +8409,7 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                    • has part definition "a core relation that holds between a whole and its part"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                      • has part inSubset valid_for_gocam
                                                                                                                                                                                                                                                                                                                                                                                                                                                        • has part example of usage "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                          • has part imported from iao.owl
                                                                                                                                                                                                                                                                                                                                                                                                                                                            • has part database_cross_reference "BFO:0000051"
                                                                                                                                                                                                                                                                                                                                                                                                                                                              • has part is_cyclic false
                                                                                                                                                                                                                                                                                                                                                                                                                                                                • has part shorthand "has_part"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • @@ -8425,6 +8458,24 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    has quality - http://purl.obolibrary.org/obo/RO_0000086

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    has related synonym - http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    @@ -8531,6 +8582,24 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    has value specification - http://purl.obolibrary.org/obo/OBI_0001938

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    + + +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    + + +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                    +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    hasAlternativeId - http://www.geneontology.org/formats/oboInOwl#hasAlternativeId

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    @@ -8961,7 +9030,6 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    independent continuant - http://purl.obolibrary.org/

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    @@ -9275,13 +9346,15 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    is concretized as - http://purl.obolibrary.org/obo/R

                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                      -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • is concretized as definition "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • is concretized as definition "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • is concretized as definition "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • is concretized as example of usage "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • is concretized as example of usage "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • is concretized as label "is concretized as"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • ObjectProperty: is concretized as
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • is concretized as InverseOf concretizes
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • is concretized as Domain generically dependent continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • is concretized as Range specifically dependent continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • is concretized as Range process or specifically dependent continuant
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          @@ -9983,7 +10056,7 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • manufacturer label "manufacturer"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • manufacturer has curation status metadata incomplete
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • Class: manufacturer
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • manufacturer EquivalentTo (NCBITaxon_9606 or organization) and (has role some manufacturer role)
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • manufacturer EquivalentTo (Homo sapiens or organization) and (has role some manufacturer role)
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • manufacturer SubClassOf has role some manufacturer role
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • manufacturer SubClassOf material entity
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • @@ -10006,7 +10079,8 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • Class: manufacturer role
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • manufacturer role SubClassOf role
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • manufacturer role SubClassOf characteristic of some -(NCBITaxon_9606 or organization)
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • +(Homo sapiens or organization)
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • manufacturer role SubClassOf realized in only manufacturing

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • @@ -10031,36 +10105,12 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • manufacturing definition "A planned process with the objective to produce a processed material which will have a function for future use."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • manufacturing term editor "PERSON: Melanie Courtot"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • Class: manufacturing
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • manufacturing EquivalentTo achieves_planned_objective some manufacturing objective
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • manufacturing SubClassOf achieves_planned_objective some manufacturing objective
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • manufacturing SubClassOf material processing
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • manufacturing SubClassOf has specified input some material entity
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                -

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                manufacturing objective - http://purl.obolibrary.org/obo/OBI_0000458

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                - - -

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                - - -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                -

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                mass - http://purl.obolibrary.org/obo/chebi/mass

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                @@ -10079,7 +10129,6 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                material entity - http://purl.obolibrary.org/obo/BFO

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                -

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                material transformation objective - http://purl.obolibrary.org/obo/OBI_0000456

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                - - -

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                - - -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                -

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                may be identical to - http://purl.obolibrary.org/obo/IAO_0006011

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                @@ -10994,7 +11021,6 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • objective_achieved_by editor preferred term "objective_achieved_by"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • objective_achieved_by label "objective_achieved_by"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • ObjectProperty: objective_achieved_by
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • objective_achieved_by Domain objective specification
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • objective_achieved_by Range planned process
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • @@ -11085,6 +11111,7 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • occurrent isDefinedBy bfo.owl
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • occurrent label "occurrent"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • occurrent editor note "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • occurrent definition "An entity that has temporal parts and that happens, unfolds or develops through time."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • occurrent editor note "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • occurrent has associated axiom(nl) "b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • @@ -11324,7 +11351,8 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  organizational term - http://purl.obolibrary.org/obo

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  @@ -12154,7 +12180,8 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  Removed

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • process example of usage "a process of meiosis"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • process comment "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • process example of usage "a process of meiosis"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • process example of usage "the course of a disease"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • process has associated axiom(fol) "(iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] "
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • process editor note "BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war)"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • @@ -12474,6 +12501,26 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              quality of - http://purl.obolibrary.org/obo/RO_0000080

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              + + +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              + + +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              +

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              ready for release - http://purl.obolibrary.org/obo/IAO_0000122

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              @@ -12509,6 +12556,7 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • realizable entity BFO CLIF specification label "RealizableEntity"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • realizable entity BFO OWL specification label "realizable"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • realizable entity isDefinedBy bfo.owl
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • realizable entity definition "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • realizable entity has associated axiom(nl) "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • realizable entity label "realizable entity"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • realizable entity has associated axiom(fol) "(forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] "
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • @@ -12696,6 +12744,7 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • role example of usage "John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • role example of usage "the priest role"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • role elucidation "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • role definition "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • role label "role"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • role BFO CLIF specification label "Role"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • role BFO OWL specification label "role"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • @@ -13690,10 +13739,10 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • specifically dependent continuant example of usage "of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • specifically dependent continuant has associated axiom(fol) "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] "
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • specifically dependent continuant comment "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • specifically dependent continuant definition "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • specifically dependent continuant example of usage "the smell of this portion of mozzarella"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • specifically dependent continuant example of usage "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • -
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • specifically dependent continuant example of usage "the shape of this hole."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • specifically dependent continuant example of usage "of one-sided specifically dependent continuants: the mass of this tomato"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • specifically dependent continuant label "specifically dependent continuant"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                  • specifically dependent continuant example of usage "the disposition of this fish to decay"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • @@ -13702,6 +13751,9 @@

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      Added

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    • specifically dependent continuant isDefinedBy bfo.owl
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                      • specifically dependent continuant BFO CLIF specification label "SpecificallyDependentContinuant"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        • specifically dependent continuant example of usage "the function of this heart: to pump blood"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • specifically dependent continuant definition "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          • specifically dependent continuant example of usage "the shape of this hole."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • +
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • specifically dependent continuant has associated axiom(fol) "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] "
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            • specifically dependent continuant BFO OWL specification label "sdc"
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              • specifically dependent continuant editor note "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                • diff --git a/diff_nmrCV1.1-nmrCV_2025-03-20.md b/diff_nmrCV1.1-nmrCV_2025-03-20.md index 66978b8..64966d8 100644 --- a/diff_nmrCV1.1-nmrCV_2025-03-20.md +++ b/diff_nmrCV1.1-nmrCV_2025-03-20.md @@ -3537,6 +3537,24 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of - [Hexafluorobenzene](http://nmrML.org/nmrCV#NMR:1000016) SubClassOf [ObsoleteClass](http://www.geneontology.org/formats/oboInOwl#ObsoleteClass) +### Homo sapiens `http://purl.obolibrary.org/obo/NCBITaxon_9606` + +#### Added +- [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) [alternative term](http://purl.obolibrary.org/obo/IAO_0000118) "human being" + +- [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) [editor preferred term](http://purl.obolibrary.org/obo/IAO_0000111) "Homo sapiens" + +- [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) [label](http://www.w3.org/2000/01/rdf-schema#label) "Homo sapiens" + +- [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) [alternative term](http://purl.obolibrary.org/obo/IAO_0000118) "human" + +- [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) [imported from](http://purl.obolibrary.org/obo/IAO_0000412) [ncbitaxon.owl](http://purl.obolibrary.org/obo/ncbitaxon.owl) + +- Class: [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) + +- [Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) SubClassOf [organism](http://purl.obolibrary.org/obo/OBI_0100026) + + ### Hyphenated NMR instrument `http://nmrML.org/nmrCV#NMR:1400200` #### Removed - [Hyphenated NMR instrument](http://nmrML.org/nmrCV#NMR:1400200) SubClassOf [NMR instrument type](http://nmrML.org/nmrCV#NMR:1000012) @@ -3844,12 +3862,6 @@ The decision to build upon nmrCV v1.1.0 was based on its existing definition of - [N,N-dimethylformamide-d7](http://purl.obolibrary.org/obo/CHEBI_193040) SubClassOf [main group molecular entity](http://purl.obolibrary.org/obo/CHEBI_33579) -### NCBITaxon_9606 `http://purl.obolibrary.org/obo/NCBITaxon_9606` - -#### Added -- Class: [NCBITaxon_9606](http://purl.obolibrary.org/obo/NCBITaxon_9606) - - ### NFDI4Chem `https://www.wikidata.org/wiki/Q96678459` #### Added @@ -4583,6 +4595,18 @@ http://purl.obolibrary.org/obo/CHMO_0001841" - Individual: [Reza Salek](https://orcid.org/0000-0001-8604-1732) +### Rules + +#### Added +- [role](http://purl.obolibrary.org/obo/BFO_0000023)(?d), [has characteristic](http://purl.obolibrary.org/obo/RO_0000053)(?e, ?d) -> [has role](http://purl.obolibrary.org/obo/RO_0000087)(?e, ?d) + +- [quality](http://purl.obolibrary.org/obo/BFO_0000019)(?d), [has characteristic](http://purl.obolibrary.org/obo/RO_0000053)(?e, ?d) -> [has quality](http://purl.obolibrary.org/obo/RO_0000086)(?e, ?d) + +- [disposition](http://purl.obolibrary.org/obo/BFO_0000016)(?d), [has characteristic](http://purl.obolibrary.org/obo/RO_0000053)(?e, ?d) -> [has disposition](http://purl.obolibrary.org/obo/RO_0000091)(?e, ?d) + +- [function](http://purl.obolibrary.org/obo/BFO_0000034)(?d), [has characteristic](http://purl.obolibrary.org/obo/RO_0000053)(?e, ?d) -> [has function](http://purl.obolibrary.org/obo/RO_0000085)(?e, ?d) + + ### Siemens AG `http://nmrML.org/nmrCV#NMR:1000393` #### Removed - Class: [Siemens AG](http://nmrML.org/nmrCV#NMR:1000393) @@ -4777,18 +4801,6 @@ http://purl.obolibrary.org/obo/CHMO_0001841" - [Trimethylsilyl propionate](http://nmrML.org/nmrCV#NMR:1000159) SubClassOf [ObsoleteClass](http://www.geneontology.org/formats/oboInOwl#ObsoleteClass) -### UBERON_0000465 `http://purl.obolibrary.org/obo/UBERON_0000465` - -#### Added -- Class: [UBERON_0000465](http://purl.obolibrary.org/obo/UBERON_0000465) - - -### UBERON_0000477 `http://purl.obolibrary.org/obo/UBERON_0000477` - -#### Added -- Class: [UBERON_0000477](http://purl.obolibrary.org/obo/UBERON_0000477) - - ### UK spelling synonym `http://purl.obolibrary.org/obo/OMO_0003005` #### Added @@ -5355,8 +5367,6 @@ The second one, nmrMLproc allows to add and fill in additional sections correspo - [achieves_planned_objective](http://purl.obolibrary.org/obo/OBI_0000417) Domain [planned process](http://purl.obolibrary.org/obo/OBI_0000011) -- [achieves_planned_objective](http://purl.obolibrary.org/obo/OBI_0000417) Range [objective specification](http://purl.obolibrary.org/obo/IAO_0000005) - ### acquisition computer `http://nmrML.org/nmrCV#NMR:1400013` #### Removed @@ -7494,12 +7504,16 @@ The second one, nmrMLproc allows to add and fill in additional sections correspo - [concretizes](http://purl.obolibrary.org/obo/RO_0000059) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A relationship between a specifically dependent continuant or process and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. Multiple specifically dependent continuants or processes can concretize the same generically dependent continuant."@en +- [concretizes](http://purl.obolibrary.org/obo/RO_0000059) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant."@en + - [concretizes](http://purl.obolibrary.org/obo/RO_0000059) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The quality (a specifically dependent continuant) concretizes the journal article (a generically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en - [concretizes](http://purl.obolibrary.org/obo/RO_0000059) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "An investigator reads a protocol and forms a plan to carry out an assay. The plan is a realizable entity (a specifically dependent continuant) that concretizes the protocol (a generically dependent continuant), and both depend on the investigator (an independent continuant). The plan is then realized by the assay (a process)."@en - ObjectProperty: [concretizes](http://purl.obolibrary.org/obo/RO_0000059) +- [concretizes](http://purl.obolibrary.org/obo/RO_0000059) Domain [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) + - [concretizes](http://purl.obolibrary.org/obo/RO_0000059) Domain [process](http://purl.obolibrary.org/obo/BFO_0000015) or [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) - [concretizes](http://purl.obolibrary.org/obo/RO_0000059) Range [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) @@ -7600,8 +7614,6 @@ The second one, nmrMLproc allows to add and fill in additional sections correspo - [continuant](http://purl.obolibrary.org/obo/BFO_0000002) [label](http://www.w3.org/2000/01/rdf-schema#label) "continuant"@en -- [continuant](http://purl.obolibrary.org/obo/BFO_0000002) [isDefinedBy](http://www.w3.org/2000/01/rdf-schema#isDefinedBy) [bfo.owl](http://purl.obolibrary.org/obo/bfo.owl) - - [continuant](http://purl.obolibrary.org/obo/BFO_0000002) [has associated axiom(nl)](http://purl.obolibrary.org/obo/IAO_0000601) "if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002])"@en - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [009-002](http://purl.obolibrary.org/obo/bfo/axiom/009-002) @@ -7629,6 +7641,10 @@ The second one, nmrMLproc allows to add and fill in additional sections correspo - [continuant](http://purl.obolibrary.org/obo/BFO_0000002) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] " - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [008-002](http://purl.obolibrary.org/obo/bfo/axiom/008-002) +- [continuant](http://purl.obolibrary.org/obo/BFO_0000002) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts."@en + +- [continuant](http://purl.obolibrary.org/obo/BFO_0000002) [isDefinedBy](http://www.w3.org/2000/01/rdf-schema#isDefinedBy) [bfo.owl](http://purl.obolibrary.org/obo/bfo.owl) + - Class: [continuant](http://purl.obolibrary.org/obo/BFO_0000002) - [continuant](http://purl.obolibrary.org/obo/BFO_0000002) DisjointWith [part of](http://purl.obolibrary.org/obo/BFO_0000050) some [occurrent](http://purl.obolibrary.org/obo/BFO_0000003) @@ -9003,6 +9019,18 @@ In the examples above, a reagent is an operational component of a device, but th - [disposition](http://purl.obolibrary.org/obo/BFO_0000016) SubClassOf [realizable entity](http://purl.obolibrary.org/obo/BFO_0000017) +### disposition of `http://purl.obolibrary.org/obo/RO_0000092` + +#### Added +- [disposition of](http://purl.obolibrary.org/obo/RO_0000092) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." + +- [disposition of](http://purl.obolibrary.org/obo/RO_0000092) [label](http://www.w3.org/2000/01/rdf-schema#label) "disposition of"@en + +- ObjectProperty: [disposition of](http://purl.obolibrary.org/obo/RO_0000092) + +- [disposition of](http://purl.obolibrary.org/obo/RO_0000092) SubPropertyOf: [characteristic of](http://purl.obolibrary.org/obo/RO_0000052) + + ### documenter `http://usefulinc.com/ns/doap#documenter` #### Added @@ -9851,6 +9879,8 @@ Annotations: IAO_0000424 "http://purl.obolibrary.org/obo/BFO_0000051 some ( - [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) [BFO CLIF specification label](http://purl.obolibrary.org/obo/BFO_0000180) "GenericallyDependentContinuant" +- [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time."@en + - [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] " - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [074-001](http://purl.obolibrary.org/obo/bfo/axiom/074-001) @@ -10139,6 +10169,24 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - AnnotationProperty: [has curation status](http://purl.obolibrary.org/obo/IAO_0000114) +### has disposition `http://purl.obolibrary.org/obo/RO_0000091` + +#### Added +- [has disposition](http://purl.obolibrary.org/obo/RO_0000091) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence"@en + +- [has disposition](http://purl.obolibrary.org/obo/RO_0000091) [label](http://www.w3.org/2000/01/rdf-schema#label) "has disposition"@en + +- ObjectProperty: [has disposition](http://purl.obolibrary.org/obo/RO_0000091) + +- [has disposition](http://purl.obolibrary.org/obo/RO_0000091) InverseOf [disposition of](http://purl.obolibrary.org/obo/RO_0000092) + +- [has disposition](http://purl.obolibrary.org/obo/RO_0000091) Domain [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) + +- [has disposition](http://purl.obolibrary.org/obo/RO_0000091) Range [disposition](http://purl.obolibrary.org/obo/BFO_0000016) + +- [has disposition](http://purl.obolibrary.org/obo/RO_0000091) SubPropertyOf: [has characteristic](http://purl.obolibrary.org/obo/RO_0000053) + + ### has function `http://purl.obolibrary.org/obo/RO_0000085` #### Added @@ -10240,6 +10288,8 @@ EquivalentTo: xsd:integer[> 2151 , <= 2300] - [has part](http://purl.obolibrary.org/obo/BFO_0000051) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)"@en +- [has part](http://purl.obolibrary.org/obo/BFO_0000051) [imported from](http://purl.obolibrary.org/obo/IAO_0000412) [iao.owl](http://purl.obolibrary.org/obo/iao.owl) + - [has part](http://purl.obolibrary.org/obo/BFO_0000051) [database_cross_reference](http://www.geneontology.org/formats/oboInOwl#hasDbXref) "BFO:0000051" - [has part](http://purl.obolibrary.org/obo/BFO_0000051) [is_cyclic](http://www.geneontology.org/formats/oboInOwl#is_cyclic) false @@ -10311,6 +10361,26 @@ A continuant cannot have an occurrent as part: use 'participates in'. An occurre - [has part](http://purl.obolibrary.org/obo/BFO_0000051) o [has participant](http://purl.obolibrary.org/obo/RO_0000057) SubPropertyOf: [has participant](http://purl.obolibrary.org/obo/RO_0000057) +### has quality `http://purl.obolibrary.org/obo/RO_0000086` + +#### Added +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence"@en + +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) [label](http://www.w3.org/2000/01/rdf-schema#label) "has quality"@en + +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "this apple has quality this red color"@en + +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) [alternative term](http://purl.obolibrary.org/obo/IAO_0000118) "has_quality"@en + +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) [editor note](http://purl.obolibrary.org/obo/IAO_0000116) "A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist."@en + +- ObjectProperty: [has quality](http://purl.obolibrary.org/obo/RO_0000086) + +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) Range [quality](http://purl.obolibrary.org/obo/BFO_0000019) + +- [has quality](http://purl.obolibrary.org/obo/RO_0000086) SubPropertyOf: [has characteristic](http://purl.obolibrary.org/obo/RO_0000053) + + ### has related synonym `http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym` #### Added @@ -10443,6 +10513,26 @@ A continuant cannot have an occurrent as part: use 'participates in'. An occurre - AnnotationProperty: [has symbol](http://purl.obolibrary.org/obo/OMO_0004000) +### has value specification `http://purl.obolibrary.org/obo/OBI_0001938` + +#### Added +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: James A. Overton" + +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) [has curation status](http://purl.obolibrary.org/obo/IAO_0000114) [metadata complete](http://purl.obolibrary.org/obo/IAO_0000120) + +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) [definition source](http://purl.obolibrary.org/obo/IAO_0000119) "OBI" + +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) [label](http://www.w3.org/2000/01/rdf-schema#label) "has value specification" + +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A relation between an information content entity and a value specification that specifies its value."@en + +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) [editor preferred term](http://purl.obolibrary.org/obo/IAO_0000111) "has value specification" + +- ObjectProperty: [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) + +- [has value specification](http://purl.obolibrary.org/obo/OBI_0001938) SubPropertyOf: [has part](http://purl.obolibrary.org/obo/BFO_0000051) + + ### hasAlternativeId `http://www.geneontology.org/formats/oboInOwl#hasAlternativeId` #### Added @@ -11038,8 +11128,6 @@ A continuant cannot have an occurrent as part: use 'participates in'. An occurre #### Added - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a leg"@en -- [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [label](http://www.w3.org/2000/01/rdf-schema#label) "independent continuant"@en - - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] " - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [017-002](http://purl.obolibrary.org/obo/bfo/axiom/017-002) @@ -11062,6 +11150,10 @@ A continuant cannot have an occurrent as part: use 'participates in'. An occurre - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] " - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [018-002](http://purl.obolibrary.org/obo/bfo/axiom/018-002) +- [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything."@en + +- [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [label](http://www.w3.org/2000/01/rdf-schema#label) "independent continuant"@en + - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [BFO CLIF specification label](http://purl.obolibrary.org/obo/BFO_0000180) "IndependentContinuant" - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "an orchestra."@en @@ -11086,6 +11178,8 @@ A continuant cannot have an occurrent as part: use 'participates in'. An occurre - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) DisjointWith [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) +- DisjointClasses: [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004), [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020), [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) + - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) DisjointWith [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) - [independent continuant](http://purl.obolibrary.org/obo/BFO_0000004) SubClassOf [continuant](http://purl.obolibrary.org/obo/BFO_0000002) @@ -11478,6 +11572,8 @@ Some currently missing phenomena that should be considered "about" are ### is concretized as `http://purl.obolibrary.org/obo/RO_0000058` #### Added +- [is concretized as](http://purl.obolibrary.org/obo/RO_0000058) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A relationship between a generically dependent continuant and a specifically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants."@en + - [is concretized as](http://purl.obolibrary.org/obo/RO_0000058) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A relationship between a generically dependent continuant and a specifically dependent continuant or process, in which the generically dependent continuant depends on some independent continuant or process in virtue of the fact that the specifically dependent continuant or process also depends on that same independent continuant. A generically dependent continuant may be concretized as multiple specifically dependent continuants or processes."@en - [is concretized as](http://purl.obolibrary.org/obo/RO_0000058) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "A journal article is an information artifact that inheres in some number of printed journals. For each copy of the printed journal there is some quality that carries the journal article, such as a pattern of ink. The journal article (a generically dependent continuant) is concretized as the quality (a specifically dependent continuant), and both depend on that copy of the printed journal (an independent continuant)."@en @@ -11492,6 +11588,8 @@ Some currently missing phenomena that should be considered "about" are - [is concretized as](http://purl.obolibrary.org/obo/RO_0000058) Domain [generically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000031) +- [is concretized as](http://purl.obolibrary.org/obo/RO_0000058) Range [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) + - [is concretized as](http://purl.obolibrary.org/obo/RO_0000058) Range [process](http://purl.obolibrary.org/obo/BFO_0000015) or [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) @@ -12429,7 +12527,7 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - Class: [manufacturer](http://purl.obolibrary.org/obo/OBI_0000835) -- [manufacturer](http://purl.obolibrary.org/obo/OBI_0000835) EquivalentTo ([NCBITaxon_9606](http://purl.obolibrary.org/obo/NCBITaxon_9606) or [organization](http://purl.obolibrary.org/obo/OBI_0000245)) and ([has role](http://purl.obolibrary.org/obo/RO_0000087) some [manufacturer role](http://purl.obolibrary.org/obo/OBI_0000571)) +- [manufacturer](http://purl.obolibrary.org/obo/OBI_0000835) EquivalentTo ([Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) or [organization](http://purl.obolibrary.org/obo/OBI_0000245)) and ([has role](http://purl.obolibrary.org/obo/RO_0000087) some [manufacturer role](http://purl.obolibrary.org/obo/OBI_0000571)) - [manufacturer](http://purl.obolibrary.org/obo/OBI_0000835) SubClassOf [has role](http://purl.obolibrary.org/obo/RO_0000087) some [manufacturer role](http://purl.obolibrary.org/obo/OBI_0000571) @@ -12458,7 +12556,9 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - [manufacturer role](http://purl.obolibrary.org/obo/OBI_0000571) SubClassOf [role](http://purl.obolibrary.org/obo/BFO_0000023) - [manufacturer role](http://purl.obolibrary.org/obo/OBI_0000571) SubClassOf [characteristic of](http://purl.obolibrary.org/obo/RO_0000052) some -([NCBITaxon_9606](http://purl.obolibrary.org/obo/NCBITaxon_9606) or [organization](http://purl.obolibrary.org/obo/OBI_0000245)) +([Homo sapiens](http://purl.obolibrary.org/obo/NCBITaxon_9606) or [organization](http://purl.obolibrary.org/obo/OBI_0000245)) + +- [manufacturer role](http://purl.obolibrary.org/obo/OBI_0000571) SubClassOf [realized in](http://purl.obolibrary.org/obo/BFO_0000054) only [manufacturing](http://purl.obolibrary.org/obo/OBI_0000457) ### manufacturing `http://purl.obolibrary.org/obo/OBI_0000457` @@ -12492,43 +12592,11 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - Class: [manufacturing](http://purl.obolibrary.org/obo/OBI_0000457) -- [manufacturing](http://purl.obolibrary.org/obo/OBI_0000457) EquivalentTo [achieves_planned_objective](http://purl.obolibrary.org/obo/OBI_0000417) some [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) - -- [manufacturing](http://purl.obolibrary.org/obo/OBI_0000457) SubClassOf [achieves_planned_objective](http://purl.obolibrary.org/obo/OBI_0000417) some [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) - - [manufacturing](http://purl.obolibrary.org/obo/OBI_0000457) SubClassOf [material processing](http://purl.obolibrary.org/obo/OBI_0000094) - [manufacturing](http://purl.obolibrary.org/obo/OBI_0000457) SubClassOf [has specified input](http://purl.obolibrary.org/obo/OBI_0000293) some [material entity](http://purl.obolibrary.org/obo/BFO_0000040) -### manufacturing objective `http://purl.obolibrary.org/obo/OBI_0000458` - -#### Added -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [definition source](http://purl.obolibrary.org/obo/IAO_0000119) "GROUP: OBI PlanAndPlannedProcess Branch" - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Philippe Rocca-Serra" - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Bjoern Peters" - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [editor preferred term](http://purl.obolibrary.org/obo/IAO_0000111) "manufacturing objective" - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "is the objective to manufacture a material of a certain function (device)"@en - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Melanie Courtot" - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [has curation status](http://purl.obolibrary.org/obo/IAO_0000114) [ready for release](http://purl.obolibrary.org/obo/IAO_0000122) - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Frank Gibson" - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [label](http://www.w3.org/2000/01/rdf-schema#label) "manufacturing objective"@en - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Jennifer Fostel" - -- Class: [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) - -- [manufacturing objective](http://purl.obolibrary.org/obo/OBI_0000458) SubClassOf [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) - - ### mass `http://purl.obolibrary.org/obo/chebi/mass` #### Added @@ -12540,8 +12608,6 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros #### Added - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [isDefinedBy](http://www.w3.org/2000/01/rdf-schema#isDefinedBy) [bfo.owl](http://purl.obolibrary.org/obo/bfo.owl) -- [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a tornado"@en - - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a hurricane"@en - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] " @@ -12565,12 +12631,16 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a photon"@en +- [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time."@en + - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] " - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [019-002](http://purl.obolibrary.org/obo/bfo/axiom/019-002) - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [has associated axiom(nl)](http://purl.obolibrary.org/obo/IAO_0000601) "Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002])"@en - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [020-002](http://purl.obolibrary.org/obo/bfo/axiom/020-002) +- [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [editor preferred term](http://purl.obolibrary.org/obo/IAO_0000111) "material entity"@en + - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [BFO CLIF specification label](http://purl.obolibrary.org/obo/BFO_0000180) "MaterialEntity" - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "an epidemic"@en @@ -12579,6 +12649,10 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "the undetached arm of a human being"@en +- [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a tornado"@en + +- [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [imported from](http://purl.obolibrary.org/obo/IAO_0000412) [ido.owl](http://purl.obolibrary.org/obo/ido.owl) + - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a flame"@en - [material entity](http://purl.obolibrary.org/obo/BFO_0000040) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a sea wave"@en @@ -12630,49 +12704,13 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - Class: [material processing](http://purl.obolibrary.org/obo/OBI_0000094) -- [material processing](http://purl.obolibrary.org/obo/OBI_0000094) EquivalentTo [achieves_planned_objective](http://purl.obolibrary.org/obo/OBI_0000417) some [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) - - [material processing](http://purl.obolibrary.org/obo/OBI_0000094) SubClassOf [planned process](http://purl.obolibrary.org/obo/OBI_0000011) - [material processing](http://purl.obolibrary.org/obo/OBI_0000094) SubClassOf [has specified input](http://purl.obolibrary.org/obo/OBI_0000293) only [material entity](http://purl.obolibrary.org/obo/BFO_0000040) -- [material processing](http://purl.obolibrary.org/obo/OBI_0000094) SubClassOf [achieves_planned_objective](http://purl.obolibrary.org/obo/OBI_0000417) some [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) - - [material processing](http://purl.obolibrary.org/obo/OBI_0000094) SubClassOf [has specified output](http://purl.obolibrary.org/obo/OBI_0000299) some [processed material](http://purl.obolibrary.org/obo/OBI_0000047) -### material transformation objective `http://purl.obolibrary.org/obo/OBI_0000456` - -#### Added -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Philippe Rocca-Serra" - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "The objective to create a mouse infected with LCM virus. The objective to create a defined solution of PBS." - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [editor preferred term](http://purl.obolibrary.org/obo/IAO_0000111) "material transformation objective" - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [has curation status](http://purl.obolibrary.org/obo/IAO_0000114) [ready for release](http://purl.obolibrary.org/obo/IAO_0000122) - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "an objective specifiction that creates an specific output object from input materials."@en - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [alternative term](http://purl.obolibrary.org/obo/IAO_0000118) "artifact creation objective"@en - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Bjoern Peters" - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [label](http://www.w3.org/2000/01/rdf-schema#label) "material transformation objective"@en - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Frank Gibson" - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Jennifer Fostel" - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [definition source](http://purl.obolibrary.org/obo/IAO_0000119) "GROUP: OBI PlanAndPlannedProcess Branch" - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON: Melanie Courtot" - -- Class: [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) - -- [material transformation objective](http://purl.obolibrary.org/obo/OBI_0000456) SubClassOf [objective specification](http://purl.obolibrary.org/obo/IAO_0000005) - - ### may be identical to `http://purl.obolibrary.org/obo/IAO_0006011` #### Added @@ -13893,8 +13931,6 @@ Sample inhomogeneity (poor mixing. solid particles), Temperature gradients acros - ObjectProperty: [objective_achieved_by](http://purl.obolibrary.org/obo/OBI_0000833) -- [objective_achieved_by](http://purl.obolibrary.org/obo/OBI_0000833) Domain [objective specification](http://purl.obolibrary.org/obo/IAO_0000005) - - [objective_achieved_by](http://purl.obolibrary.org/obo/OBI_0000833) Range [planned process](http://purl.obolibrary.org/obo/OBI_0000011) @@ -14001,6 +14037,8 @@ No imports"@en - [occurrent](http://purl.obolibrary.org/obo/BFO_0000003) [editor note](http://purl.obolibrary.org/obo/IAO_0000116) "BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region"@en +- [occurrent](http://purl.obolibrary.org/obo/BFO_0000003) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "An entity that has temporal parts and that happens, unfolds or develops through time."@en + - [occurrent](http://purl.obolibrary.org/obo/BFO_0000003) [editor note](http://purl.obolibrary.org/obo/IAO_0000116) "Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process."@en - [comment](http://www.w3.org/2000/01/rdf-schema#comment) "per discussion with Barry Smith" @@ -14275,6 +14313,8 @@ for now."@en ### organizational term `http://purl.obolibrary.org/obo/IAO_0000121` #### Added +- [organizational term](http://purl.obolibrary.org/obo/IAO_0000121) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "PERSON:Alan Ruttenberg" + - [organizational term](http://purl.obolibrary.org/obo/IAO_0000121) [label](http://www.w3.org/2000/01/rdf-schema#label) "organizational term"@en - [organizational term](http://purl.obolibrary.org/obo/IAO_0000121) [editor preferred term](http://purl.obolibrary.org/obo/IAO_0000111) "organizational term"@en @@ -15018,6 +15058,8 @@ objectives is a planned process." - [planned process](http://purl.obolibrary.org/obo/OBI_0000011) [term editor](http://purl.obolibrary.org/obo/IAO_0000117) "Bjoern Peters" +- [planned process](http://purl.obolibrary.org/obo/OBI_0000011) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A process that realizes a plan which is the concretization of a plan specification."@en + - [planned process](http://purl.obolibrary.org/obo/OBI_0000011) [definition source](http://purl.obolibrary.org/obo/IAO_0000119) "branch derived" - [planned process](http://purl.obolibrary.org/obo/OBI_0000011) [label](http://www.w3.org/2000/01/rdf-schema#label) "planned process"@en @@ -15030,16 +15072,10 @@ objectives is a planned process." - [planned process](http://purl.obolibrary.org/obo/OBI_0000011) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "Injecting mice with a vaccine in order to test its efficacy" -- [planned process](http://purl.obolibrary.org/obo/OBI_0000011) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A process that realizes a plan which is the concretization of a plan specification."@en - - Class: [planned process](http://purl.obolibrary.org/obo/OBI_0000011) -- [planned process](http://purl.obolibrary.org/obo/OBI_0000011) EquivalentTo [realizes](http://purl.obolibrary.org/obo/BFO_0000055) some ([concretizes](http://purl.obolibrary.org/obo/RO_0000059) some [plan specification](http://purl.obolibrary.org/obo/IAO_0000104)) - - [planned process](http://purl.obolibrary.org/obo/OBI_0000011) SubClassOf [process](http://purl.obolibrary.org/obo/BFO_0000015) -- [planned process](http://purl.obolibrary.org/obo/OBI_0000011) SubClassOf [realizes](http://purl.obolibrary.org/obo/BFO_0000055) some ([concretizes](http://purl.obolibrary.org/obo/RO_0000059) some [plan specification](http://purl.obolibrary.org/obo/IAO_0000104)) - ### plural form `http://purl.obolibrary.org/obo/OMO_0003004` @@ -15585,6 +15621,8 @@ objectives is a planned process." - [process](http://purl.obolibrary.org/obo/BFO_0000015) SubClassOf [entity](http://nmrML.org/nmrCV#BFO_0000001) #### Added +- [process](http://purl.obolibrary.org/obo/BFO_0000015) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t."@en + - [process](http://purl.obolibrary.org/obo/BFO_0000015) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "a process of meiosis"@en - [process](http://purl.obolibrary.org/obo/BFO_0000015) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "the course of a disease"@en @@ -16024,6 +16062,30 @@ extracts the real spectrum and the Im function extracts the imaginary spectrum f - [quality](http://purl.obolibrary.org/obo/BFO_0000019) SubClassOf [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) +### quality of `http://purl.obolibrary.org/obo/RO_0000080` + +#### Added +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020." + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [editor note](http://purl.obolibrary.org/obo/IAO_0000116) "A quality inheres in its bearer at all times for which the quality exists."@en + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [alternative term](http://purl.obolibrary.org/obo/IAO_0000118) "quality_of"@en + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "this red color is a quality of this apple"@en + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [alternative term](http://purl.obolibrary.org/obo/IAO_0000118) "is quality of"@en + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence"@en + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) [label](http://www.w3.org/2000/01/rdf-schema#label) "quality of"@en + +- ObjectProperty: [quality of](http://purl.obolibrary.org/obo/RO_0000080) + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) InverseOf [has quality](http://purl.obolibrary.org/obo/RO_0000086) + +- [quality of](http://purl.obolibrary.org/obo/RO_0000080) SubPropertyOf: [characteristic of](http://purl.obolibrary.org/obo/RO_0000052) + + ### ready for release `http://purl.obolibrary.org/obo/IAO_0000122` #### Added @@ -16062,6 +16124,8 @@ extracts the real spectrum and the Im function extracts the imaginary spectrum f - [realizable entity](http://purl.obolibrary.org/obo/BFO_0000017) [isDefinedBy](http://www.w3.org/2000/01/rdf-schema#isDefinedBy) [bfo.owl](http://purl.obolibrary.org/obo/bfo.owl) +- [realizable entity](http://purl.obolibrary.org/obo/BFO_0000017) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances."@en + - [realizable entity](http://purl.obolibrary.org/obo/BFO_0000017) [has associated axiom(nl)](http://purl.obolibrary.org/obo/IAO_0000601) "All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002])"@en - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [060-002](http://purl.obolibrary.org/obo/bfo/axiom/060-002) @@ -16266,6 +16330,8 @@ extracts the real spectrum and the Im function extracts the imaginary spectrum f - [role](http://purl.obolibrary.org/obo/BFO_0000023) [elucidation](http://purl.obolibrary.org/obo/IAO_0000600) "b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001])"@en - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [061-001](http://purl.obolibrary.org/obo/bfo/axiom/061-001) +- [role](http://purl.obolibrary.org/obo/BFO_0000023) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts."@en + - [role](http://purl.obolibrary.org/obo/BFO_0000023) [label](http://www.w3.org/2000/01/rdf-schema#label) "role"@en - [role](http://purl.obolibrary.org/obo/BFO_0000023) [BFO CLIF specification label](http://purl.obolibrary.org/obo/BFO_0000180) "Role" @@ -17848,6 +17914,8 @@ Cons sometimes specifies a quality which is not a realizable."@en - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] " - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [050-003](http://purl.obolibrary.org/obo/bfo/axiom/050-003) +- [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [comment](http://www.w3.org/2000/01/rdf-schema#comment) "A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same."@en + - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003])"@en - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [050-003](http://purl.obolibrary.org/obo/bfo/axiom/050-003) @@ -17855,8 +17923,6 @@ Cons sometimes specifies a quality which is not a realizable."@en - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key"@en -- [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "the shape of this hole."@en - - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "of one-sided specifically dependent continuants: the mass of this tomato"@en - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [label](http://www.w3.org/2000/01/rdf-schema#label) "specifically dependent continuant"@en @@ -17873,6 +17939,14 @@ Cons sometimes specifies a quality which is not a realizable."@en - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "the function of this heart: to pump blood"@en +- [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [definition](http://purl.obolibrary.org/obo/IAO_0000115) "b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004])"@en + - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [131-004](http://purl.obolibrary.org/obo/bfo/axiom/131-004) + +- [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [example of usage](http://purl.obolibrary.org/obo/IAO_0000112) "the shape of this hole."@en + +- [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [has associated axiom(fol)](http://purl.obolibrary.org/obo/IAO_0000602) "(iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] " + - [has axiom label](http://purl.obolibrary.org/obo/IAO_0010000) [131-004](http://purl.obolibrary.org/obo/bfo/axiom/131-004) + - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [BFO OWL specification label](http://purl.obolibrary.org/obo/BFO_0000179) "sdc" - [specifically dependent continuant](http://purl.obolibrary.org/obo/BFO_0000020) [editor note](http://purl.obolibrary.org/obo/IAO_0000116) "Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc."@en