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CHEBI:36703 - tetrachloro-1,4-benzoquinone

Default Structure
ChEBI IDCHEBI:36703
ChEBI Nametetrachloro-1,4-benzoquinone
Stars
DefinitionA member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.
Last Modified20 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6Cl4O2
Net Charge0
Average Mass245.876
Monoisotopic Mass243.86524
SMILESO=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
InChIInChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
InChIKeyUGNWTBMOAKPKBL-UHFFFAOYSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 2.7.1.33 (pantothenate kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33).
ChEBI Ontology
Outgoing Relation(s)
tetrachloro-1,4-benzoquinone (CHEBI:36703) has role EC 2.7.1.33 (pantothenate kinase) inhibitor (CHEBI:77194)
tetrachloro-1,4-benzoquinone (CHEBI:36703) has role metabolite (CHEBI:25212)
tetrachloro-1,4-benzoquinone (CHEBI:36703) is a 1,4-benzoquinones (CHEBI:132124)
tetrachloro-1,4-benzoquinone (CHEBI:36703) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
Synonyms  Source
2,3,5,6-Tetrachlor-1,4-benzochinonChEBI
2,3,5,6-tetrachloro-1,4-benzoquinoneChemIDplus
2,3,5,6-Tetrachloro-1,4-benzoquinoneKEGG COMPOUND
2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dioneNIST Chemistry WebBook
2,3,5,6-tetrachlorobenzo-1,4-quinoneNIST Chemistry WebBook
2,3,5,6-tetrachloro-p-benzoquinoneNIST Chemistry WebBook
UniProt Name  Source
2,3,5,6-tetrachloro-1,4-benzoquinoneUniProt
Manual XrefsDatabases
1297PPDB
C18933KEGG COMPOUND
Registry NumbersSources
Beilstein:393006Beilstein
Gmelin:50924Gmelin
CAS:118-75-2ChemIDplus
CAS:118-75-2NIST Chemistry WebBook
CAS:118-75-2KEGG COMPOUND
Citations