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CHEBI:230007 - 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid

ChEBI IDCHEBI:230007
ChEBI Name2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O6
Net Charge0
Average Mass424.578
Monoisotopic Mass424.28249
SMILES[H][C@]12CC(O)C3C4CCC([C@@H](C)CCC(=O)O)[C@@]4(C)[C@@H](O)CC3[C@@]1(C)C[C@H](O)[C@@H](O)C2
InChIInChI=1S/C24H40O6/c1-12(4-7-21(29)30)14-5-6-15-22-16(10-20(28)24(14,15)3)23(2)11-19(27)17(25)8-13(23)9-18(22)26/h12-20,22,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13-,14?,15?,16?,17-,18?,19-,20-,22?,23-,24+/m0/s1
InChIKeyIMMADCCLTPCOKH-JZBWSHHUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid (CHEBI:230007) is a bile acid (CHEBI:3098)
IUPAC Name 
(4S)-4-[(2S,3S,5R,7R,10S,12S,13R)-2,3,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual XrefsDatabases
HMDB0000316HMDB
LMST04010115LIPID MAPS