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CHEBI:16509 - 1,4-benzoquinone

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:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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).
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
QuinoneKEGG COMPOUND
p-BenzoquinoneKEGG COMPOUND
1,4-benzoquinoneNIST Chemistry WebBook
2,5-Cyclohexadiene-1,4-dioneKEGG COMPOUND
benzoquinoneChemIDplus
benzo-1,4-quinoneNIST Chemistry WebBook
UniProt Name  Source
1,4-benzoquinoneUniProt
Manual XrefsDatabases
C00472KEGG COMPOUND
c0261UM-BBD
PLQPDBeChem
1,4-BenzoquinoneWikipedia
P-BENZOQUINONEMetaCyc
HMDB0003364HMDB
C15602KEGG COMPOUND
Registry NumbersSources
Gmelin:2741Gmelin
Reaxys:773967Reaxys
CAS:106-51-4KEGG COMPOUND
CAS:106-51-4ChemIDplus
CAS:106-51-4NIST Chemistry WebBook
Citations