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rxno.obo
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format-version: 1.2
data-version: releases/2021-12-16
date: 16:12:2021 15:55
default-namespace: RXNO
ontology: rxno
property_value: http://purl.org/dc/elements/1.1/description "RXNO is the name reaction ontology. It contains more than 500 classes representing organic reactions such as the Diels–Alder cyclization." xsd:string
property_value: http://purl.org/dc/elements/1.1/title "RXNO" xsd:string
property_value: http://purl.org/dc/terms/license http://creativecommons.org/licenses/by/4.0/
owl-axioms: Prefix(owl:=<http://www.w3.org/2002/07/owl#>)\nPrefix(rdf:=<http://www.w3.org/1999/02/22-rdf-syntax-ns#>)\nPrefix(xml:=<http://www.w3.org/XML/1998/namespace>)\nPrefix(xsd:=<http://www.w3.org/2001/XMLSchema#>)\nPrefix(rdfs:=<http://www.w3.org/2000/01/rdf-schema#>)\n\n\nOntology(\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_16134>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_17087>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_17478>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_32863>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_32877>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_33403>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_33848>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_36587>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_38976>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/CHEBI_60983>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/RXNO_0000676>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/RXNO_0000679>))\nDeclaration(Class(<http://purl.obolibrary.org/obo/RXNO_0000688>))\nDeclaration(ObjectProperty(<http://purl.obolibrary.org/obo/RXNO_0000423>))\nDeclaration(ObjectProperty(<http://purl.obolibrary.org/obo/RXNO_0000424>))\nDeclaration(AnnotationProperty(<http://www.geneontology.org/formats/oboInOwl#id>))\n\n\n\n############################\n# Classes\n############################\n\n# Class: <http://purl.obolibrary.org/obo/RXNO_0000676> (Kabachnik-Fields reaction)\n\nSubClassOf(<http://purl.obolibrary.org/obo/RXNO_0000676> ObjectIntersectionOf(ObjectUnionOf(<http://purl.obolibrary.org/obo/CHEBI_17478> ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_17087>)) ObjectUnionOf(<http://purl.obolibrary.org/obo/CHEBI_32863> ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_32877>)) ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_60983>)))\n\n# Class: <http://purl.obolibrary.org/obo/RXNO_0000679> (Baddeley isomerization)\n\nSubClassOf(<http://purl.obolibrary.org/obo/RXNO_0000679> ObjectUnionOf(ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000423> <http://purl.obolibrary.org/obo/CHEBI_33848>) ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000423> <http://purl.obolibrary.org/obo/CHEBI_38976>)))\nSubClassOf(<http://purl.obolibrary.org/obo/RXNO_0000679> ObjectUnionOf(ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_33848>) ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_38976>)))\n\n# Class: <http://purl.obolibrary.org/obo/RXNO_0000688> (Asinger reaction)\n\nSubClassOf(<http://purl.obolibrary.org/obo/RXNO_0000688> ObjectIntersectionOf(ObjectUnionOf(<http://purl.obolibrary.org/obo/CHEBI_17478> ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_17087>)) ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_16134>) ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_33403>) ObjectSomeValuesFrom(<http://purl.obolibrary.org/obo/RXNO_0000424> <http://purl.obolibrary.org/obo/CHEBI_36587>)))\n\n\nAnnotationAssertion(<http://www.geneontology.org/formats/oboInOwl#id> <http://purl.obolibrary.org/obo/CHEBI_22495> \"CHEBI:33855\"^^xsd:string)\n)
[Term]
id: BFO:0000015
name: process
[Term]
id: BFO:0000016
name: disposition
[Term]
id: CHEBI:13759
name: alkylamine
is_a: CHEBI:32877 ! primary amine
[Term]
id: CHEBI:139588
name: alpha-hydroxy ketone
namespace: chebi_ontology
def: "An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety." []
subset: 3_STAR
is_a: CHEBI:52395 ! oxyketone
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/205/chebi.owl xsd:string
[Term]
id: CHEBI:15379
name: dioxygen
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:15734
name: primary alcohol
is_a: CHEBI:30879 ! alcohol
[Term]
id: CHEBI:15882
name: phenol
namespace: chebi_ontology
alt_id: CHEBI:14777
alt_id: CHEBI:25966
alt_id: CHEBI:43543
alt_id: CHEBI:8071
def: "An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols." []
subset: 3_STAR
is_a: CHEBI:33853 ! phenols
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl 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
is_a: CHEBI:23367 ! molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:16227
name: pyridine
is_a: CHEBI:26421 ! pyridines
[Term]
id: CHEBI:16240
name: hydrogen peroxide
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:16385
name: organic sulfide
namespace: chebi_ontology
alt_id: CHEBI:13694
alt_id: CHEBI:26960
alt_id: CHEBI:9340
def: "Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:16526
name: carbon dioxide
is_a: CHEBI:23014 ! carbon oxide
[Term]
id: CHEBI:16648
name: dialkyl phosphate
namespace: chebi_ontology
alt_id: CHEBI:14137
alt_id: CHEBI:23664
alt_id: CHEBI:4486
subset: 3_STAR
is_a: CHEBI:22324 ! alkyl phosphate
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:16670
name: peptide
is_a: CHEBI:37622 ! carboxamide
[Term]
id: CHEBI:16842
name: formaldehyde
is_a: CHEBI:17478 ! aldehyde
[Term]
id: CHEBI:17087
name: ketone
is_a: CHEBI:36587 ! carbonyl compound
[Term]
id: CHEBI:17245
name: carbon monoxide
namespace: chebi_ontology
alt_id: CHEBI:13281
alt_id: CHEBI:23013
alt_id: CHEBI:3282
alt_id: CHEBI:41526
def: "A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas." []
subset: 3_STAR
is_a: CHEBI:23014 ! carbon oxide
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:172874
name: phenylsilane
namespace: chebi_ontology
def: "An organosilicon compound that is benzene in which a hydrogen is replaced by a silyl group." []
subset: 3_STAR
is_a: CHEBI:25713 ! organosilicon compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:17478
name: aldehyde
is_a: CHEBI:36587 ! carbonyl compound
[Term]
id: CHEBI:17792
name: organohalogen compound
namespace: chebi_ontology
alt_id: CHEBI:13444
alt_id: CHEBI:36684
alt_id: CHEBI:8767
def: "A compound containing at least one carbon-halogen bond (where X is a halogen atom)." []
subset: 3_STAR
is_a: CHEBI:37578 ! halide
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:17883
name: hydrogen chloride
is_a: CHEBI:18140 ! hydrogen halide
[Term]
id: CHEBI:17997
name: dinitrogen
namespace: chebi_ontology
alt_id: CHEBI:13388
alt_id: CHEBI:14660
alt_id: CHEBI:25365
alt_id: CHEBI:43128
alt_id: CHEBI:7593
def: "An elemental molecule consisting of two trivalently-bonded nitrogen atoms." []
subset: 3_STAR
synonym: "dinitrogen" EXACT IUPAC_NAME [IUPAC]
synonym: "molecular nitrogen" RELATED [ChEBI]
synonym: "N#N" RELATED [ChEBI]
synonym: "N2" RELATED [IUPAC]
synonym: "N2" RELATED [KEGG_COMPOUND]
synonym: "N2" RELATED [UniProt]
synonym: "Nitrogen" RELATED [KEGG_COMPOUND]
xref: CAS:7727-37-9 {source="ChemIDplus"}
xref: CAS:7727-37-9 {source="NIST Chemistry WebBook"}
xref: CAS:7727-37-9 {source="KEGG COMPOUND"}
xref: Drug_Central:4251 {source="DrugCentral"}
xref: Gmelin:150 {source="Gmelin"}
xref: HMDB:HMDB0001371
xref: KEGG:C00697
xref: KEGG:D00083
xref: MetaCyc:NITROGEN-MOLECULE
xref: PDBeChem:HDZ
xref: PMID:18334638 {source="Europe PMC"}
xref: PMID:22237545 {source="Europe PMC"}
xref: Reaxys:15940095 {source="Reaxys"}
xref: Wikipedia:Nitrogen
is_a: CHEBI:23367 ! molecular entity
property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/formula "N2" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/N2/c1-2" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IJGRMHOSHXDMSA-UHFFFAOYSA-N" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01348" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "28.00615" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/smiles "N#N" xsd:string
[Term]
id: CHEBI:18140
name: hydrogen halide
namespace: chebi_ontology
alt_id: CHEBI:13368
alt_id: CHEBI:37140
alt_id: CHEBI:5599
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:18291
name: manganese atom
namespace: chebi_ontology
alt_id: CHEBI:13382
alt_id: CHEBI:25153
alt_id: CHEBI:6681
def: "A manganese group element atom that has formula Mn." []
subset: 3_STAR
is_a: CHEBI:27081 ! transition element atom
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:18310
name: alkane
namespace: chebi_ontology
alt_id: CHEBI:13435
alt_id: CHEBI:22317
alt_id: CHEBI:2576
def: "An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms." []
subset: 3_STAR
synonym: "alcane" RELATED [IUPAC]
synonym: "alcanes" RELATED [IUPAC]
synonym: "alcano" RELATED [IUPAC]
synonym: "alcanos" RELATED [IUPAC]
synonym: "Alkan" RELATED [ChEBI]
synonym: "Alkane" EXACT [KEGG_COMPOUND]
synonym: "alkane" EXACT IUPAC_NAME [IUPAC]
synonym: "alkanes" EXACT IUPAC_NAME [IUPAC]
synonym: "an alkane" RELATED [UniProt]
synonym: "RH" RELATED [KEGG_COMPOUND]
xref: KEGG:C01371
is_a: CHEBI:23367 ! molecular entity
property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/formula "CH3R" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/mass "15.035" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "15.02348" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[*]" xsd:string
[Term]
id: CHEBI:18379
name: nitrile
is_a: CHEBI:23424 ! cyanides
[Term]
id: CHEBI:22213
name: acridines
is_a: CHEBI:35293 ! fused compound
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:22324
name: alkyl phosphate
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:25703 ! organic phosphate
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:22339
name: alkyne
namespace: chebi_ontology
def: "Acyclic branched or unbranched hydrocarbons having a carbon-carbon triple bond and the general formula CnH2n-2, RC#CR." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:22495
name: arenecarbaldehyde
is_a: CHEBI:17478 ! aldehyde
[Term]
id: CHEBI:22680
name: azide
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:22698
name: benzaldehydes
is_a: CHEBI:17478 ! aldehyde
[Term]
id: CHEBI:22712
name: benzenes
namespace: chebi_ontology
def: "Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives." []
subset: 3_STAR
is_a: CHEBI:33836 ! benzenoid aromatic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:22715
name: benzimidazoles
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:22929
name: bromoalkane
is_a: CHEBI:24469 ! haloalkane
[Term]
id: CHEBI:23014
name: carbon oxide
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:36963 ! organooxygen compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:23019
name: carbonyl group
namespace: chebi_ontology
subset: 3_STAR
synonym: ">C=O" RELATED [IUPAC]
synonym: "carbonyl" EXACT IUPAC_NAME [IUPAC]
synonym: "carbonyl group" EXACT [ChEBI]
synonym: "carbonyl group" EXACT [UniProt]
is_a: CHEBI:24433 ! group
property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/formula "CO" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/mass "28.01010" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "27.99491" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C(*)*" xsd:string
[Term]
id: CHEBI:23086
name: chalcones
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:23128
name: chloroalkane
is_a: CHEBI:24469 ! haloalkane
[Term]
id: CHEBI:23252
name: cinnamic acids
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:23367
name: molecular entity
is_a: CHEBI:24431 ! chemical entity
disjoint_from: CHEBI:24433 ! group
[Term]
id: CHEBI:23424
name: cyanides
namespace: chebi_ontology
def: "Salts and C-organyl derivatives of hydrogen cyanide, HC#N." []
subset: 3_STAR
is_a: CHEBI:35352 ! organonitrogen compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:24043
name: flavones
is_a: CHEBI:38104 ! oxacycle
[Term]
id: CHEBI:24079
name: formamides
is_a: CHEBI:35636 ! carboximides
[Term]
id: CHEBI:24129
name: furans
is_a: CHEBI:38104 ! oxacycle
[Term]
id: CHEBI:24431
name: chemical entity
[Term]
id: CHEBI:24433
name: group
is_a: CHEBI:24431 ! chemical entity
[Term]
id: CHEBI:24469
name: haloalkane
is_a: CHEBI:24472 ! halohydrocarbon
[Term]
id: CHEBI:24472
name: halohydrocarbon
namespace: chebi_ontology
def: "A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom." []
subset: 3_STAR
is_a: CHEBI:17792 ! organohalogen compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:24828
name: indoles
is_a: CHEBI:35293 ! fused compound
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:25000
name: lactone
is_a: CHEBI:38104 ! oxacycle
[Term]
id: CHEBI:25566
name: nitrotoluene
namespace: chebi_ontology
def: "Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring." []
subset: 3_STAR
is_a: CHEBI:27024 ! toluenes
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:25698
name: ether
is_a: CHEBI:36963 ! organooxygen compound
[Term]
id: CHEBI:25703
name: organic phosphate
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:25710 ! organophosphorus compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:25707
name: organometallic compound
namespace: chebi_ontology
def: "A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:25710
name: organophosphorus compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:25713
name: organosilicon compound
namespace: chebi_ontology
def: "An organosilicon compound is a compound containing at least one carbon-silicon bond." []
subset: 3_STAR
synonym: "organosilicon compound" EXACT [ChEBI]
synonym: "organosilicon compounds" RELATED [ChEBI]
synonym: "silicoorganic compounds" RELATED [ChEBI]
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:25717
name: organotin compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:25750
name: oxime
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:25996
name: phenylhydrazine
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:2634
name: amidine
namespace: chebi_ontology
def: "Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:26407
name: pyrans
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:38104 ! oxacycle
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/205/chebi.owl xsd:string
[Term]
id: CHEBI:26410
name: pyrazoles
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:26421
name: pyridines
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:26455
name: pyrroles
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:26513
name: quinolines
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:26519
name: radical
namespace: chebi_ontology
def: "A molecular entity possessing an unpaired electron." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/205/chebi.owl xsd:string
[Term]
id: CHEBI:26588
name: triazines
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:26708
name: sodium atom
is_a: CHEBI:33521 ! metal atom
[Term]
id: CHEBI:26878
name: tertiary alcohol
is_a: CHEBI:30879 ! alcohol
[Term]
id: CHEBI:26961
name: thiophenes
is_a: CHEBI:38106 ! organosulfur heterocyclic compound
[Term]
id: CHEBI:27024
name: toluenes
namespace: chebi_ontology
def: "Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group." []
subset: 3_STAR
is_a: CHEBI:22712 ! benzenes
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:27081
name: transition element atom
is_a: CHEBI:33521 ! metal atom
[Term]
id: CHEBI:27363
name: zinc atom
is_a: CHEBI:27081 ! transition element atom
[Term]
id: CHEBI:27385
name: tetrachloromethane
is_a: CHEBI:23128 ! chloroalkane
[Term]
id: CHEBI:27539
name: isatin
is_a: CHEBI:24828 ! indoles
[Term]
id: CHEBI:278547
name: sodium azide
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:28112
name: nickel atom
is_a: CHEBI:27081 ! transition element atom
[Term]
id: CHEBI:28659
name: phosphorus atom
is_a: CHEBI:33250 ! atom
[Term]
id: CHEBI:28694
name: copper atom
is_a: CHEBI:27081 ! transition element atom
[Term]
id: CHEBI:28802
name: flavonols
is_a: CHEBI:38104 ! oxacycle
[Term]
id: CHEBI:29224
name: dibromine
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:29256
name: thiol
namespace: chebi_ontology
alt_id: CHEBI:13443
alt_id: CHEBI:13696
alt_id: CHEBI:17366
alt_id: CHEBI:26969
alt_id: CHEBI:8766
alt_id: CHEBI:9556
def: "An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:29312
name: sulfanyl
namespace: chebi_ontology
def: "A sulfur hydride that has formula HS." []
subset: 3_STAR
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:29785
name: nitro group
is_a: CHEBI:24433 ! group
[Term]
id: CHEBI:30096
name: diazene
namespace: chebi_ontology
subset: 3_STAR
synonym: "diazene" EXACT IUPAC_NAME [IUPAC]
synonym: "Diimide" RELATED [NIST_Chemistry_WebBook]
synonym: "HN=NH" RELATED [IUPAC]
xref: CAS:3618-05-1 {source="NIST Chemistry WebBook"}
xref: CAS:3618-05-1 {source="ChemIDplus"}
xref: KEGG:C05360
is_a: CHEBI:23367 ! molecular entity
property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/formula "H2N2" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2N2/c1-2/h1-2H" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAABOESOVLLHRU-UHFFFAOYSA-N" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/mass "30.02936" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.02180" xsd:string
property_value: http://purl.obolibrary.org/obo/chebi/smiles "N=N" xsd:string
[Term]
id: CHEBI:30879
name: alcohol
is_a: CHEBI:33822 ! organic hydroxy compound
[Term]
id: CHEBI:31697
name: indolin-2-one
namespace: chebi_ontology
def: "An indolinone carrying an oxo group at position 2." []
subset: 3_STAR
is_a: CHEBI:24828 ! indoles
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:32816
name: pyruvic acid
is_a: CHEBI:33575 ! carboxylic acid
is_a: CHEBI:33860 ! aromatic amine
[Term]
id: CHEBI:32863
name: secondary amine
is_a: CHEBI:32952 ! amine
[Term]
id: CHEBI:32876
name: tertiary amine
is_a: CHEBI:32952 ! amine
[Term]
id: CHEBI:32877
name: primary amine
is_a: CHEBI:32952 ! amine
[Term]
id: CHEBI:32878
name: alkene
is_a: CHEBI:33641 ! olefin
[Term]
id: CHEBI:32952
name: amine
is_a: CHEBI:50047 ! organic amino compound
[Term]
id: CHEBI:32955
name: epoxide
is_a: CHEBI:38104 ! oxacycle
[Term]
id: CHEBI:32988
name: amide
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:33250
name: atom
is_a: CHEBI:24431 ! chemical entity
[Term]
id: CHEBI:33256
name: primary amide
is_a: CHEBI:32988 ! amide
[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
is_a: CHEBI:23367 ! molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33308
name: carboxylic ester
is_a: CHEBI:36587 ! carbonyl compound
[Term]
id: CHEBI:33338
name: aryl group
is_a: CHEBI:24433 ! group
[Term]
id: CHEBI:33341
name: titanium atom
is_a: CHEBI:27081 ! transition element atom
[Term]
id: CHEBI:33363
name: palladium atom
is_a: CHEBI:27081 ! transition element atom
[Term]
id: CHEBI:33364
name: platinum atom
is_a: CHEBI:27081 ! transition element atom
[Term]
id: CHEBI:33403
name: elemental sulfur
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:33259 ! elemental molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33434
name: elemental halogen
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:33259 ! elemental molecular entity
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33521
name: metal atom
is_a: CHEBI:33250 ! atom
[Term]
id: CHEBI:33575
name: carboxylic acid
is_a: CHEBI:36587 ! carbonyl compound
[Term]
id: CHEBI:33595
name: cyclic compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:33597
name: homocyclic compound
namespace: chebi_ontology
def: "A cyclic compound having as ring members atoms of the same element only." []
subset: 3_STAR
is_a: CHEBI:33595 ! cyclic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33598
name: carbocyclic compound
namespace: chebi_ontology
def: "A homocyclic compound in which all of the ring members are carbon atoms." []
subset: 3_STAR
is_a: CHEBI:33597 ! homocyclic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33635
name: polycyclic compound
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:33595 ! cyclic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33641
name: olefin
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:33655
name: aromatic compound
namespace: chebi_ontology
def: "A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character." []
subset: 3_STAR
is_a: CHEBI:33595 ! cyclic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33658
name: arene
is_a: CHEBI:33659 ! organic aromatic compound
[Term]
id: CHEBI:33659
name: organic aromatic compound
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:33655 ! aromatic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33671
name: heteropolycyclic compound
namespace: chebi_ontology
def: "A polycyclic compound in which at least one of the rings contains at least one non-carbon atom." []
subset: 3_STAR
is_a: CHEBI:33635 ! polycyclic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33822
name: organic hydroxy compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:33823
name: enol
is_a: CHEBI:33822 ! organic hydroxy compound
[Term]
id: CHEBI:33836
name: benzenoid aromatic compound
namespace: chebi_ontology
subset: 3_STAR
is_a: CHEBI:33659 ! organic aromatic compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33839
name: macromolecule
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:33847
name: monocyclic arene
namespace: chebi_ontology
def: "A monocyclic aromatic hydrocarbon." []
subset: 3_STAR
is_a: CHEBI:33658 ! arene
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33848
name: polycyclic arene
namespace: chebi_ontology
def: "A polycyclic aromatic hydrocarbon." []
subset: 3_STAR
is_a: CHEBI:33658 ! arene
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:33853
name: phenols
is_a: CHEBI:33659 ! organic aromatic compound
is_a: CHEBI:33822 ! organic hydroxy compound
[Term]
id: CHEBI:33860
name: aromatic amine
is_a: CHEBI:33659 ! organic aromatic compound
is_a: CHEBI:50047 ! organic amino compound
[Term]
id: CHEBI:35255
name: chloroform
is_a: CHEBI:23128 ! chloroalkane
[Term]
id: CHEBI:35293
name: fused compound
is_a: CHEBI:33635 ! polycyclic compound
[Term]
id: CHEBI:35352
name: organonitrogen compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:35353
name: isocyanide
namespace: chebi_ontology
def: "The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-))." []
subset: 3_STAR
is_a: CHEBI:35352 ! organonitrogen compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:35403
name: chromium coordination entity
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:35562
name: 1,2,3-triazole
is_a: CHEBI:38597 ! triazole
[Term]
id: CHEBI:35636
name: carboximides
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:35681
name: secondary alcohol
is_a: CHEBI:30879 ! alcohol
[Term]
id: CHEBI:35689
name: tetrazoles
is_a: CHEBI:38101 ! organonitrogen heterocyclic compound
[Term]
id: CHEBI:35701
name: ester
namespace: chebi_ontology
alt_id: CHEBI:23960
alt_id: CHEBI:4859
def: "A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter." []
subset: 3_STAR
is_a: CHEBI:36963 ! organooxygen compound
property_value: IAO:0000412 http://purl.obolibrary.org/obo/chebi/206/chebi.owl xsd:string
[Term]
id: CHEBI:35715
name: nitro compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:35873
name: carboxylic anhydride
is_a: CHEBI:36606 ! acid anhydride
[Term]
id: CHEBI:35886
name: tertiary phosphine
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:36587
name: carbonyl compound
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:36601
name: triphenylphosphane oxide
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:36605
name: phthalic anhydride
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:36606
name: acid anhydride
is_a: CHEBI:23367 ! molecular entity
[Term]
id: CHEBI:36687