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CHEBI:196611 - 7alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid

ChEBI IDCHEBI:196611
ChEBI Name7alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid
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SubmitterMetaboLights
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FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC(=O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H38O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1
InChIKeyDXDVRSMVCCEPOO-RXISEPAGSA-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)
7alpha-Hydroxy-12-oxo-5alpha-cholan-24-oic Acid (CHEBI:196611) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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