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

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ChEBI Name androst-4-ene-3,17-dione
ChEBI ID CHEBI:16422
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2709, CHEBI:40930, CHEBI:11964, CHEBI:20322, CHEBI:13830
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Formula C19H26O2
Net Charge 0
Average Mass 286.40850
InChI InChI=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
InChIKey AEMFNILZOJDQLW-QAGGRKNESA-N
SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
Metabolite of Species Details
Daphnia magna (NCBI:35525) See: 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 (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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) 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 3,17-dioxoandrost-4-en-19-al (CHEBI:799) has functional parent androst-4-ene-3,17-dione (CHEBI:16422)
IUPAC Name
androst-4-ene-3,17-dione
Synonyms Sources
4-Androstene-3,17-dione KEGG COMPOUND
4-ANDROSTENE-3-17-DIONE PDBeChem
Androst-4-ene-3,17-dione KEGG COMPOUND
androst-4-ene-3,17-dione UniProt
Androst-4-ene-3,17-dione KEGG COMPOUND
Androstenedione KEGG COMPOUND
Δ4-androsten-3,17-dione NIST Chemistry WebBook
Δ4-androstene-3,17-dione ChemIDplus
Database Links Databases
ANDROST4ENE MetaCyc
Androstenedione Wikipedia
ASD PDBeChem
C00003644 KNApSAcK
C00280 KEGG COMPOUND
D00051 KEGG DRUG
DB01536 DrugBank
HMDB00053 HMDB
LMST02020007 LIPID MAPS
View more database links
Registry Numbers Types Sources
2059239 Beilstein Registry Number Beilstein
2059239 Reaxys Registry Number Reaxys
63-05-8 CAS Registry Number ChemIDplus
63-05-8 CAS Registry Number NIST Chemistry WebBook
961672 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
24423344 PubMed citation CiteXplore
24740546 PubMed citation CiteXplore
Last Modified
30 January 2015