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CHEBI:174628 - 17-Hydroxymethylethisterone

ChEBI IDCHEBI:174628
ChEBI Name17-Hydroxymethylethisterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@@]12CCC3=CC(=O)[C@H](CO)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(O)(C#C)CC[C@@]21[H]
InChIInChI=1S/C22H30O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,20-,21-,22?/m0/s1
InChIKeyJGJFMZZHCOKXHX-RIONBYPISA-N
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)
17-Hydroxymethylethisterone (CHEBI:174628) has role androgen (CHEBI:50113)
17-Hydroxymethylethisterone (CHEBI:174628) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(2S,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
141166ChemSpider
HMDB0060710HMDB