CHEBI:15342 - acenaphthoquinone

ChEBI IDCHEBI:15342
ChEBI Nameacenaphthoquinone
Stars
DefinitionAn orthoquinone that is the 1,2-dioxo derivative of acenaphthene.
Secondary ChEBI IDsCHEBI:2381, CHEBI:13702, CHEBI:22155, CHEBI:40798
Last Modified13 November 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H6O2
Net Charge0
Average Mass182.178
Monoisotopic Mass182.03678
SMILESO=C1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
InChIKeyAFPRJLBZLPBTPZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
chain carrier  The role played by a molecular entity, such as an atom or free radical, which is involved in chain-propagating reactions.
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
acenaphthoquinone (CHEBI:15342) has parent hydride acenaphthene (CHEBI:22154)
acenaphthoquinone (CHEBI:15342) has role chain carrier (CHEBI:53431)
acenaphthoquinone (CHEBI:15342) has role epitope (CHEBI:53000)
acenaphthoquinone (CHEBI:15342) is a orthoquinones (CHEBI:25622)
IUPAC Names 
acenaphthene-1,2-dione
acenaphthylene-1,2-dione
Synonyms  Source
AcenaphthenequinoneKEGG COMPOUND
AcenaphthoquinoneKEGG COMPOUND
1,2-DiketoacenaphtheneKEGG COMPOUND
acenaphthylene-1,2-quinoneIUPAC
1,2-acenaphthylenedioneNIST Chemistry WebBook
1,2-acenaphthenedioneNIST Chemistry WebBook
UniProt Name  Source
acenaphthene-1,2-dioneUniProt
Manual XrefsDatabases
C02807KEGG COMPOUND
C02807KEGG COMPOUND
ANQPDBeChem
1OAXPDB
AcenaphthoquinoneWikipedia
Registry NumbersSources
Gmelin:143091Gmelin
Reaxys:879172Reaxys
CAS:82-86-0KEGG COMPOUND
CAS:82-86-0ChemIDplus
CAS:82-86-0NIST Chemistry WebBook
Citations