The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/dinto_DB07690
http://purl.obolibrary.org/obo/dinto_DB07690
Preferred Name

(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
Synonyms
C24H40O4
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
label
(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid
type
InChIKey
InChIKey=KXGVEGMKQFWNSR-LLQZFEROSA-N
Synonym
C24H40O4
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
xref
PubChem Substance:99444161
ChemSpider:193196
PDB:DXC
PubChem Compound:222528
prefixIRI
obo2:dinto_DB07690
related with
SMILES
[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
subClassOf
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