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CHEBI:16422 - androst-4-ene-3,17-dione

Default Structure
ChEBI IDCHEBI:16422
ChEBI Nameandrost-4-ene-3,17-dione
Stars
DefinitionA 3-oxo Δ4-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads.
Secondary ChEBI IDsCHEBI:2709, CHEBI:11964, CHEBI:13830, CHEBI:20322, CHEBI:40930
Last Modified25 October 2018
DownloadsMolfile
FormulaC19H26O2
Net Charge0
Average Mass286.415
Monoisotopic Mass286.19328
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKeyAEMFNILZOJDQLW-QAGGRKNESA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Daphnia magna (ncbitaxon:35525) - Article (Changes in the Metabolic Elimination Profile of Testosterone Following Exposure of the Crustacean Daphnia magna to TributyltinGerald A. LeBlanc and James B. McLachlanEcotoxicology and Environmental Safety 45, 296-303 (2000))
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
androst-4-ene-3,17-dione (CHEBI:16422) has role Daphnia magna metabolite (CHEBI:83056)
androst-4-ene-3,17-dione (CHEBI:16422) has role androgen (CHEBI:50113)
androst-4-ene-3,17-dione (CHEBI:16422) has role human metabolite (CHEBI:77746)
androst-4-ene-3,17-dione (CHEBI:16422) has role mouse metabolite (CHEBI:75771)
androst-4-ene-3,17-dione (CHEBI:16422) is a 17-oxo steroid (CHEBI:19168)
androst-4-ene-3,17-dione (CHEBI:16422) is a 3-oxo-Δ4 steroid (CHEBI:47909)
androst-4-ene-3,17-dione (CHEBI:16422) is a androstanoid (CHEBI:50402)
Incoming Relation(s)
15α-hydroxyandrost-4-ene-3,17-dione (CHEBI:232766) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)
1α-hydroxyandrost-4-ene-3,17-dione (CHEBI:133778) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)
3,17-dioxoandrost-4-en-19-al (CHEBI:799) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)
6β-hydroxyandrost-4-ene-3,17-dione (CHEBI:87571) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)
9α-hydroxyandrost-4-en-3,17-dione (CHEBI:85549) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)
IUPAC Name 
androst-4-ene-3,17-dione
Synonyms  Source
4-Androstene-3,17-dioneKEGG COMPOUND
4-ANDROSTENE-3-17-DIONEPDBeChem
Androst-4-ene-3,17-dioneKEGG COMPOUND
Androst-4-ene-3,17-dioneKEGG COMPOUND
AndrostenedioneKEGG COMPOUND
Δ4-androsten-3,17-dioneNIST Chemistry WebBook
UniProt Name  Source
androst-4-ene-3,17-dioneUniProt
Manual XrefsDatabases
215DrugCentral
ANDROST4ENEMetaCyc
AndrostenedioneWikipedia
ASDPDBeChem
C00003644KNApSAcK
C00280KEGG COMPOUND
D00051KEGG DRUG
DB01536DrugBank
HMDB0000053HMDB
LMST02020007LIPID MAPS
Registry NumbersSources
Reaxys:2059239Reaxys
Gmelin:961672Gmelin
CAS:63-05-8NIST Chemistry WebBook
CAS:63-05-8ChemIDplus
CAS:63-05-8KEGG COMPOUND
Citations