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CHEBI:178720 - 3alpha-Hydroxy-15-oxo-5beta-chol-8-en-24-oic Acid

ChEBI IDCHEBI:178720
ChEBI Name3alpha-Hydroxy-15-oxo-5beta-chol-8-en-24-oic Acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O4
Net Charge0
Average Mass388.548
Monoisotopic Mass388.26136
SMILES[H][C@]12CCC3=C(CC[C@@]4(C)[C@@]3([H])C(=O)C[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H36O4/c1-14(4-7-21(27)28)19-13-20(26)22-17-6-5-15-12-16(25)8-10-23(15,2)18(17)9-11-24(19,22)3/h14-16,19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,19-,22-,23+,24-/m1/s1
InChIKeyGJBRYWUZMHQTMU-CQOUQDOHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3alpha-Hydroxy-15-oxo-5beta-chol-8-en-24-oic Acid (CHEBI:178720) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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