EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87333 - 17β-hydroxy-5β-estran-3-one

ChEBI IDCHEBI:87333
ChEBI Name17β-hydroxy-5β-estran-3-one
Stars
ASCII Name17beta-hydroxy-5beta-estran-3-one
DefinitionA C18 steroid with 5β-configuration formed from nandrolone by reduction across the C4-C5 double bond.
Last Modified26 April 2017
Submitternhn
DownloadsMolfile
FormulaC18H28O2
Net Charge0
Average Mass276.420
Monoisotopic Mass276.20893
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1([H])CCC(=O)C2
InChIInChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13+,14-,15-,16+,17+,18+/m1/s1
InChIKeyRHVBIEJVJWNXBU-XZVKZCCLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21255593)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
17β-hydroxy-5β-estran-3-one (CHEBI:87333) has parent hydride 5β-estrane (CHEBI:20670)
17β-hydroxy-5β-estran-3-one (CHEBI:87333) has role human metabolite (CHEBI:77746)
17β-hydroxy-5β-estran-3-one (CHEBI:87333) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-5β-estran-3-one (CHEBI:87333) is a 3-oxo-5β-steroid (CHEBI:1624)
IUPAC Name 
17β-hydroxy-5β-estran-3-one
Synonyms  Source
17β-hydroxy-19-nor-5β-androstan-3-oneChEBI
(5β,17β)-17-hydroxyestran-3-oneIUPAC
UniProt Name  Source
17β-hydroxy-5β-estran-3-oneUniProt
Registry NumbersSources
Reaxys:3204928Reaxys
Citations