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

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ChEBI Name 17β-hydroxy-5β-androst-1-en-3-one
ChEBI ID CHEBI:87331
ChEBI ASCII Name 17beta-hydroxy-5beta-androst-1-en-3-one
Definition A 3-oxo Δ1-steroid with 5β-configuration formed from 17β-hydroxyandrosta-1,4-dien-3-one by reduction across the C4-C5 double bond.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C19H28O2
Net Charge 0
Average Mass 288.42440
Monoisotopic Mass 288.20893
InChI InChI=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
InChIKey OKJCFMUGMSVJBG-MISPCMORSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 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
Synonyms Sources
(5β,17β)-17-hydroxyandrost-1-en-3-one IUPAC
17β-hydroxy-5β-androst-1-en-3-one UniProt
Registry Number Type Source
5285306 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19089863 PubMed citation Europe PMC
21255593 PubMed citation SUBMITTER
Last Modified
20 August 2015