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CHEBI:176828 - 3-Ketocholanic Acid

ChEBI IDCHEBI:176828
ChEBI Name3-Ketocholanic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O3
Net Charge0
Average Mass374.565
Monoisotopic Mass374.28210
SMILESCC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C24H38O3/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/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)
InChIKeyKIQFUORWRVZTHT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS2531)
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-Ketocholanic Acid (CHEBI:176828) is a bile acid (CHEBI:3098)
IUPAC Name 
4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Manual XrefsDatabases
473110ChemSpider