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CHEBI:190809 - 2-Hydroxymethylethisterone

ChEBI IDCHEBI:190809
ChEBI Name2-Hydroxymethylethisterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@@]12CCC3=CC(=O)C(CO)C[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#C
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+/m1/s1
InChIKeyJGJFMZZHCOKXHX-DUGPHZPDSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
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)
2-Hydroxymethylethisterone (CHEBI:190809) has role androgen (CHEBI:50113)
2-Hydroxymethylethisterone (CHEBI:190809) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8R,9S,10R,13S,14S,17R)-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
48063765ChemSpider
Registry NumbersSources
CAS:67110-85-4ChemIDplus