The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	cholic acid
Synonyms	C24H40O5 (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
ID	http://purl.obolibrary.org/obo/dinto_DB02659
ATCCode	A05AA03
CASRN	81-25-4
Definition	A major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. [PubChem]
InChI	InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey	InChIKey=BHQCQFFYRZLCQQ-OELDTZBJSA-N
induces	http://purl.obolibrary.org/obo/dinto_0887 http://purl.obolibrary.org/obo/dinto_2019 http://purl.obolibrary.org/obo/dinto_1987 http://purl.obolibrary.org/obo/dinto_1981 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_3489 http://purl.obolibrary.org/obo/dinto_2828
inhibits	http://purl.obolibrary.org/obo/dinto_0588 http://purl.obolibrary.org/obo/dinto_1974 http://purl.obolibrary.org/obo/dinto_1977 http://purl.obolibrary.org/obo/dinto_1975 http://purl.obolibrary.org/obo/dinto_2019 http://purl.obolibrary.org/obo/dinto_1987 http://purl.obolibrary.org/obo/dinto_1981 http://purl.obolibrary.org/obo/dinto_3489 http://purl.obolibrary.org/obo/dinto_0300
is transported by	http://purl.obolibrary.org/obo/dinto_1974 http://purl.obolibrary.org/obo/dinto_2019 http://purl.obolibrary.org/obo/dinto_1824 http://purl.obolibrary.org/obo/dinto_1987 http://purl.obolibrary.org/obo/dinto_1981 http://purl.obolibrary.org/obo/dinto_3489
label	cholic acid
prefixIRI	obo2:dinto_DB02659
prefLabel	cholic acid
related with	http://purl.obolibrary.org/obo/dinto_1570 http://purl.obolibrary.org/obo/dinto_2197 http://purl.obolibrary.org/obo/dinto_2190 http://purl.obolibrary.org/obo/dinto_2199 http://purl.obolibrary.org/obo/dinto_2198 http://purl.obolibrary.org/obo/dinto_2194 http://purl.obolibrary.org/obo/dinto_2192 http://purl.obolibrary.org/obo/dinto_2191 http://purl.obolibrary.org/obo/dinto_2196 http://purl.obolibrary.org/obo/dinto_2195 http://purl.obolibrary.org/obo/dinto_2193 http://purl.obolibrary.org/obo/dinto_2611 http://purl.obolibrary.org/obo/dinto_4278 http://purl.obolibrary.org/obo/dinto_4276 http://purl.obolibrary.org/obo/dinto_4076 http://purl.obolibrary.org/obo/dinto_0470 http://purl.obolibrary.org/obo/dinto_2336 http://purl.obolibrary.org/obo/dinto_1965 http://purl.obolibrary.org/obo/dinto_1447 http://purl.obolibrary.org/obo/dinto_2254 http://purl.obolibrary.org/obo/dinto_3131 http://purl.obolibrary.org/obo/dinto_0135
SMILES	[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C
Synonym	C24H40O5 (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
xref	PDB:CHD ChemSpider:192176 PubChem Compound:221493 PubChem Substance:46507063 ChEBI:16359 BindingDB:21680
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_16359	ZP	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	EFO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	HOIP	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	GO-PLUS	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	CHEBI	LOOM
http://purl.obolibrary.org/obo/NCIT_C91035	BERO	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D019826	RH-MESH	LOOM
https://go.drugbank.com/drugs/DB02659	MDM	LOOM
http://purl.jp/bio/4/id/200906054373123969	IOBC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0055568	OCHV	LOOM
http://purl.bioontology.org/ontology/SNMI/F-65150	SNMI	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	DTO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	SP	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	TXPO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	HINO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	MCO	LOOM
http://purl.obolibrary.org/obo/CHEBI_16359	MAXO	LOOM
http://purl.bioontology.org/ontology/RXNORM/1440856	RXNORM	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#13733	OCHV	LOOM
http://purl.bioontology.org/ontology/VANDF/4034356	VANDF	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/17147002	SNOMEDCT	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.221.430.130	RH-MESH	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D04.808.105.225.130	RH-MESH	LOOM
http://purl.bioontology.org/ontology/ATC/A05AA03	ATC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000191551	NDFRT	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C91035	NCIT	LOOM
http://purl.obolibrary.org/obo/MESH_D019826	BERO	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018551	PMAPP-PMO	LOOM
http://purl.bioontology.org/ontology/MESH/D019826	MESH	LOOM
http://purl.obolibrary.org/obo/OMIT_0019805	OMIT	LOOM
http://purl.bioontology.org/ontology/RCD/X80Mq	RCD	LOOM
http://stirdf.jst.go.jp/id/200907044693645783	IOBC	LOOM