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

ChEBI IDCHEBI:187701
ChEBI Name7a,17-dimethyl-5b-Androstane-3a,17b-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O2
Net Charge0
Average Mass320.517
Monoisotopic Mass320.27153
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3(C)O)[C@]1([H])[C@H](C)C2
InChIInChI=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
InChIKeyZWQUPIDNCOVROC-PNZAEPHISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
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
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