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CHEBI:133930 - 5α-androst-1-ene-3,17-dione

ChEBI IDCHEBI:133930
ChEBI Name5α-androst-1-ene-3,17-dione
Stars
ASCII Name5alpha-androst-1-ene-3,17-dione
DefinitionA 3-oxo Δ1-steroid that is androst-1-ene substituted by oxo groups at positions 3 and 17.
Last Modified4 November 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC19H26O2
Net Charge0
Average Mass286.415
Monoisotopic Mass286.19328
SMILES[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2
InChIInChI=1S/C19H26O2/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/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
InChIKeyWJIQCDPCDVWDDE-WZNAKSSCSA-N
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
5α-androst-1-ene-3,17-dione (CHEBI:133930) has role human urinary metabolite (CHEBI:84087)
5α-androst-1-ene-3,17-dione (CHEBI:133930) is a 17-oxo steroid (CHEBI:19168)
5α-androst-1-ene-3,17-dione (CHEBI:133930) is a 3-oxo-Δ1 steroid (CHEBI:20156)
5α-androst-1-ene-3,17-dione (CHEBI:133930) is a androstanoid (CHEBI:50402)
IUPAC Name 
5α-androst-1-ene-3,17-dione
Synonyms  Source
delta1-5alpha-Androstene-3,17-dioneChemIDplus
1-AndrostenedioneChemIDplus
5α-androst-1-ene-3,17-dioneChEBI
Δ1-androstene-3,17-dioneChEBI
UniProt Name  Source
5α-androst-1-ene-3,17-dioneUniProt
Registry NumbersSources
Reaxys:3085323Reaxys
CAS:571-40-4ChemIDplus
Citations