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CHEBI:166736 - Lithocholenic acid

ChEBI IDCHEBI:166736
ChEBI NameLithocholenic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O3
Net Charge0
Average Mass374.565
Monoisotopic Mass374.28210
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C=C[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
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/h11,13,15-21,25H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChIKeyFEGCPHIPSRBREU-HVATVPOCSA-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)
Lithocholenic acid (CHEBI:166736) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
4447060ChemSpider
LMST04010210LIPID MAPS
Registry NumbersSources
CAS:1053-37-8ChemIDplus