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CHEBI:173053 - 9,17beta-hydroxy-androsta-1,4-dien-3-one

ChEBI IDCHEBI:173053
ChEBI Name9,17beta-hydroxy-androsta-1,4-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26O3
Net Charge0
Average Mass302.414
Monoisotopic Mass302.18819
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1(O)CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h7-8,11,14-16,21-22H,3-6,9-10H2,1-2H3/t14-,15-,16-,17-,18-,19+/m0/s1
InChIKeyBDTCDYJFOLOAGO-KOUJMVCDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
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)
9,17beta-hydroxy-androsta-1,4-dien-3-one (CHEBI:173053) has role androgen (CHEBI:50113)
9,17beta-hydroxy-androsta-1,4-dien-3-one (CHEBI:173053) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8S,9R,10S,13S,14S,17S)-9,17-dihydroxy-10,13-dimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
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