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CHEBI:40799 - androsta-1,4-diene-3,17-dione

ChEBI IDCHEBI:40799
ChEBI Nameandrosta-1,4-diene-3,17-dione
Stars
DefinitionA steroid that consists of androstane having double bonds at positions 1 and 4 and two keto groups at positions 3 and 17.
Last Modified4 May 2017
DownloadsMolfile
FormulaC19H24O2
Net Charge0
Average Mass284.399
Monoisotopic Mass284.17763
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
InChIInChI=1S/C19H24O2/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/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKeyLUJVUUWNAPIQQI-QAGGRKNESA-N
ChEBI Ontology
Outgoing Relation(s)
androsta-1,4-diene-3,17-dione (CHEBI:40799) has parent hydride androstane (CHEBI:35509)
androsta-1,4-diene-3,17-dione (CHEBI:40799) is a 17-oxo steroid (CHEBI:19168)
androsta-1,4-diene-3,17-dione (CHEBI:40799) is a 3-oxo-Δ1 steroid (CHEBI:20156)
androsta-1,4-diene-3,17-dione (CHEBI:40799) is a 3-oxo-Δ4 steroid (CHEBI:47909)
IUPAC Name 
androsta-1,4-diene-3,17-dione
Synonyms  Source
ANDROSTA-1,4-DIENE-3,17-DIONEPDBeChem
1,4-Androstadiene-3,17-dioneChemIDplus
AndrostadienedioneChemIDplus
BoldioneChemIDplus
1-DehydroandrostenedioneChemIDplus
ADTChEBI
UniProt Name  Source
androsta-1,4-diene-3,17-dioneUniProt
Manual XrefsDatabases
ANBPDBeChem
Registry NumbersSources
Reaxys:2509631Reaxys
CAS:897-06-3ChemIDplus
Citations