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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1b,3a,7b-Trihydroxy-5b-cholanoic acid
ChEBI ID CHEBI:193323
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H40O6
Net Charge 0
Average Mass 424.578
Monoisotopic Mass 424.28249
InChI InChI=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
InChIKey TVLHFFLEOSSHFT-ZLCDVOGVSA-N
SMILES OC1C2C3[C@@](C(CC3)[C@H](O)CCCC(O)=O)(CCC2[C@@]4(C(C1)C[C@H](O)C[C@H]4O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
HMDB0013158 HMDB
LMST04010246 LIPID MAPS
View more database links