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CHEBI:87331 - 17β-hydroxy-5β-androst-1-en-3-one

ChEBI IDCHEBI:87331
ChEBI Name17β-hydroxy-5β-androst-1-en-3-one
Stars
ASCII Name17beta-hydroxy-5beta-androst-1-en-3-one
DefinitionA 3-oxo Δ1-steroid with 5β-configuration formed from 17β-hydroxyandrosta-1,4-dien-3-one by reduction across the C4-C5 double bond.
Last Modified20 August 2015
Submitternhn
DownloadsMolfile
FormulaC19H28O2
Net Charge0
Average Mass288.431
Monoisotopic Mass288.20893
SMILES[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2
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/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKeyOKJCFMUGMSVJBG-MISPCMORSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21255593)
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxy-5β-androst-1-en-3-one (CHEBI:87331) has functional parent 5β-androstane (CHEBI:20659)
17β-hydroxy-5β-androst-1-en-3-one (CHEBI:87331) has role human xenobiotic metabolite (CHEBI:76967)
17β-hydroxy-5β-androst-1-en-3-one (CHEBI:87331) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-5β-androst-1-en-3-one (CHEBI:87331) is a 3-oxo-Δ1 steroid (CHEBI:20156)
IUPAC Name 
17β-hydroxy-5β-androst-1-en-3-one
Synonym  Source
(5β,17β)-17-hydroxyandrost-1-en-3-oneIUPAC
UniProt Name  Source
17β-hydroxy-5β-androst-1-en-3-oneUniProt
Registry NumbersSources
Reaxys:5285306Reaxys
Citations