CHEBI:16509 - 1,4-benzoquinone

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ChEBI Name 1,4-benzoquinone
ChEBI ID CHEBI:16509
Definition The 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:49820, CHEBI:8730, CHEBI:12837, CHEBI:15009, CHEBI:18927
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Formula C6H4O2
Net Charge 0
Average Mass 108.09480
Monoisotopic Mass 108.021
InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey AZQWKYJCGOJGHM-UHFFFAOYSA-N
SMILES O=C1C=CC(=O)C=C1
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:9606) Found in urine (BTO:0001419). See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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).
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ChEBI Ontology
Outgoing 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 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 Sources
1,4-Benzochinon ChEBI
1,4-benzoquinone NIST Chemistry WebBook
1,4-benzoquinone UniProt
1,4-Benzoquinone KEGG COMPOUND
2,5-Cyclohexadiene-1,4-dione KEGG COMPOUND
benzo-1,4-quinone NIST Chemistry WebBook
benzoquinone ChemIDplus
p-Benzoquinone KEGG COMPOUND
p-Chinon NIST Chemistry WebBook
p-quinone HMDB
para-benzoquinone HMDB
Quinone KEGG COMPOUND
Quinone KEGG COMPOUND
Database Links Databases
1,4-Benzoquinone Wikipedia
C00472 KEGG COMPOUND
c0261 UM-BBD
C15602 KEGG COMPOUND
HMDB0003364 HMDB
P-BENZOQUINONE MetaCyc
PLQ PDBeChem
View more database links
Registry Numbers Types Sources
106-51-4 CAS Registry Number ChemIDplus
106-51-4 CAS Registry Number NIST Chemistry WebBook
2741 Gmelin Registry Number Gmelin
773967 Beilstein Registry Number Beilstein
773967 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10462055 PubMed citation Europe PMC
11304127 PubMed citation Europe PMC
1395635 PubMed citation Europe PMC
15182198 PubMed citation Europe PMC
15618234 PubMed citation Europe PMC
15920754 PubMed citation Europe PMC
16484134 PubMed citation Europe PMC
24023812 PubMed citation Europe PMC
25057895 PubMed citation Europe PMC
9118901 PubMed citation Europe PMC
Last Modified
03 June 2016