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CHEBI:188949 - 12beta-hydroxyandrost-4-ene-3,17-dione

ChEBI IDCHEBI:188949
ChEBI Name12beta-hydroxyandrost-4-ene-3,17-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h9,13-15,17,22H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
InChIKeyXYEUHFBPFQVTJV-KCZNZURUSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus Aureus (ncbitaxon:1280) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3859)
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)
12beta-hydroxyandrost-4-ene-3,17-dione (CHEBI:188949) has role androgen (CHEBI:50113)
12beta-hydroxyandrost-4-ene-3,17-dione (CHEBI:188949) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8R,9S,10R,12R,13R,14S)-12-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Manual XrefsDatabases
20054858ChemSpider