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CHEBI:179987 - 3-Oxo-5beta-chola-7,11-dien-24-oic Acid

ChEBI IDCHEBI:179987
ChEBI Name3-Oxo-5beta-chola-7,11-dien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O3
Net Charge0
Average Mass370.533
Monoisotopic Mass370.25079
SMILES[H][C@]12CC=C3[C@]([H])(C=C[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h6,11,13,15-16,19-21H,4-5,7-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,19-,20+,21+,23+,24-/m1/s1
InChIKeyUSLKURCLVONKPN-FKOMGKCASA-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)
3-Oxo-5beta-chola-7,11-dien-24-oic Acid (CHEBI:179987) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(5R,9R,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,9,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
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