CHEBI:187701 - 7a,17-dimethyl-5b-Androstane-3a,17b-diol

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ChEBI Name 7a,17-dimethyl-5b-Androstane-3a,17b-diol
ChEBI ID CHEBI:187701
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H36O2
Net Charge 0
Average Mass 320.517
Monoisotopic Mass 320.27153
InChI InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey ZWQUPIDNCOVROC-PNZAEPHISA-N
SMILES O[C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@@](C[C@H]3C)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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.
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ChEBI Ontology
Outgoing 7a,17-dimethyl-5b-Androstane-3a,17b-diol (CHEBI:187701) has role androgen (CHEBI:50113)
7a,17-dimethyl-5b-Androstane-3a,17b-diol (CHEBI:187701) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name
(3R,5S,7R,8R,9S,10S,13S,14S,17S)-7,10,13,17-tetramethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Manual Xref Database
LMST02020100 LIPID MAPS
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