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CHEBI:137760 - 3β-hydroxy-7-oxo-5α-cholan-24-oic acid

ChEBI IDCHEBI:137760
ChEBI Name3β-hydroxy-7-oxo-5α-cholan-24-oic acid
Stars
ASCII Name3beta-hydroxy-7-oxo-5alpha-cholan-24-oic acid
Last Modified11 July 2017
Submittermwilliams
DownloadsMolfile
FormulaC24H38O4
Net Charge0
Average Mass390.564
Monoisotopic Mass390.27701
SMILES[H][C@@]12CC(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)CCC(=O)O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,22+,23+,24-/m1/s1
InChIKeyDXOCDBGWDZAYRQ-KRYSTCSFSA-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)
3β-hydroxy-7-oxo-5α-cholan-24-oic acid (CHEBI:137760) is a bile acid (CHEBI:3098)
Manual XrefsDatabases
LMST04010152LIPID MAPS