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CHEBI:193323 - 1b,3a,7b-Trihydroxy-5b-cholanoic acid

ChEBI IDCHEBI:193323
ChEBI Name1b,3a,7b-Trihydroxy-5b-cholanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O6
Net Charge0
Average Mass424.578
Monoisotopic Mass424.28249
SMILESC[C@]12CCC3C(C(O)CC4C[C@H](O)C[C@@H](O)[C@@]43C)C1CCC2[C@H](O)CCCC(=O)O
InChIInChI=1S/C24H40O6/c1-23-9-8-17-22(16(23)7-6-15(23)18(26)4-3-5-21(29)30)19(27)11-13-10-14(25)12-20(28)24(13,17)2/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13?,14-,15?,16?,17?,18+,19?,20+,22?,23+,24-/m0/s1
InChIKeyTVLHFFLEOSSHFT-ZLCDVOGVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
1b,3a,7b-Trihydroxy-5b-cholanoic acid (CHEBI:193323) has role androgen (CHEBI:50113)
1b,3a,7b-Trihydroxy-5b-cholanoic acid (CHEBI:193323) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(5R)-5-hydroxy-5-[(1R,3S,7S,10S,13S)-1,3,7-trihydroxy-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
HMDB0013158HMDB
LMST04010246LIPID MAPS