CHEBI:145759 - 3a,7b,21-trihydroxy-5b-cholanoic acid

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ChEBI Name 3a,7b,21-trihydroxy-5b-cholanoic acid
ChEBI ID CHEBI:145759
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C24H40O6
Net Charge 0
Average Mass 424.578
Monoisotopic Mass 424.28249
InChI InChI=1S/C24H40O6/c1-23-9-7-14(25)11-13(23)12-19(27)21-15-3-4-17(24(15,2)10-8-16(21)23)22(30)18(26)5-6-20(28)29/h13-19,21-22,25-27,30H,3-12H2,1-2H3,(H,28,29)/t13?,14-,15?,16?,17?,18?,19+,21?,22+,23+,24+/m1/s1
InChIKey JHBLUEHIRYMJOU-ZSFPCQDKSA-N
SMILES [C@]12(CC[C@H](CC2C[C@@H](C3C4[C@](CCC13)(C(CC4)[C@@H](C(CCC(O)=O)O)O)C)O)O)C
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.
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ChEBI Ontology
Outgoing 3a,7b,21-trihydroxy-5b-cholanoic acid (CHEBI:145759) has role androgen (CHEBI:50113)
3a,7b,21-trihydroxy-5b-cholanoic acid (CHEBI:145759) is a 21-hydroxy steroid (CHEBI:35344)
3a,7b,21-trihydroxy-5b-cholanoic acid (CHEBI:145759) is a 3α-hydroxy steroid (CHEBI:36835)
3a,7b,21-trihydroxy-5b-cholanoic acid (CHEBI:145759) is a 7β-hydroxy steroid (CHEBI:35349)
Synonym Source
3alpha,7beta,21-trihydroxy-5beta-cholanoic acid SUBMITTER
Manual Xref Database
HMDB0013192 HMDB accession
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