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CHEBI:16509 - 1,4-benzoquinone

Default Structure
ChEBI IDCHEBI:16509
ChEBI Name1,4-benzoquinone
Stars
DefinitionThe simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.
Secondary ChEBI IDsCHEBI:8730, CHEBI:12837, CHEBI:15009, CHEBI:18927, CHEBI:49820
Last Modified3 June 2016
DownloadsMolfile
FormulaC6H4O2
Net Charge0
Average Mass108.096
Monoisotopic Mass108.02113
SMILESO=C1C=CC(=O)C=C1
InChIInChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKeyAZQWKYJCGOJGHM-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (24023812)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
1,4-benzoquinone (CHEBI:16509) has role cofactor (CHEBI:23357)
1,4-benzoquinone (CHEBI:16509) has role human xenobiotic metabolite (CHEBI:76967)
1,4-benzoquinone (CHEBI:16509) has role mouse metabolite (CHEBI:75771)
1,4-benzoquinone (CHEBI:16509) is a 1,4-benzoquinones (CHEBI:132124)
Incoming Relation(s)
1,4-benzoquinone imine (CHEBI:50192) has functional parent 1,4-benzoquinone (CHEBI:16509)
2-prenyl-1,4-benzoquinone (CHEBI:35796) has functional parent 1,4-benzoquinone (CHEBI:16509)
quinhydrone (CHEBI:26491) has part 1,4-benzoquinone (CHEBI:16509)
IUPAC Name 
cyclohexa-2,5-diene-1,4-dione
Synonyms  Source
1,4-BenzochinonChEBI
1,4-benzoquinoneNIST Chemistry WebBook
1,4-BenzoquinoneKEGG COMPOUND
2,5-Cyclohexadiene-1,4-dioneKEGG COMPOUND
benzo-1,4-quinoneNIST Chemistry WebBook
benzoquinoneChemIDplus
UniProt Name  Source
1,4-benzoquinoneUniProt
Manual XrefsDatabases
1,4-BenzoquinoneWikipedia
C00472KEGG COMPOUND
c0261UM-BBD
C15602KEGG COMPOUND
HMDB0003364HMDB
P-BENZOQUINONEMetaCyc
PLQPDBeChem
Registry NumbersSources
Gmelin:2741Gmelin
Reaxys:773967Reaxys
CAS:106-51-4ChemIDplus
CAS:106-51-4KEGG COMPOUND
CAS:106-51-4NIST Chemistry WebBook
Citations