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CHEBI:229005 - 3alpha-Hydroxy-androst-4-ene-17-one

ChEBI IDCHEBI:229005
ChEBI Name3alpha-Hydroxy-androst-4-ene-17-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O2
Net Charge0
Average Mass288.431
Monoisotopic Mass288.20893
SMILES[H][C@@]12CCC3=C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKeyVMYTXBKVYDESSJ-HKQXQEGQSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
3alpha-Hydroxy-androst-4-ene-17-one (CHEBI:229005) has role androgen (CHEBI:50113)
3alpha-Hydroxy-androst-4-ene-17-one (CHEBI:229005) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Manual XrefsDatabases
5290638ChemSpider