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 ChemicalBook:CB9258118, ZINC000003875484
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.
View more via ChEBI Ontology
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 Types Sources
19089863 PubMed citation Europe PMC
21255593 PubMed citation SUBMITTER
Last Modified
20 August 2015