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CHEBI:168395 - 3a,16b-Dihydroxyandrostenone

ChEBI IDCHEBI:168395
ChEBI Name3a,16b-Dihydroxyandrostenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILES[H][C@@]12CC=C3C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)[C@@H](O)C[C@@]21[H]
InChIInChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKeyQQIVKFZWLZJXJT-BNSUEQOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
3a,16b-Dihydroxyandrostenone (CHEBI:168395) has role androgen (CHEBI:50113)
3a,16b-Dihydroxyandrostenone (CHEBI:168395) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(3R,8R,9S,10R,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Manual XrefsDatabases
24850099ChemSpider
LMST02020091LIPID MAPS