CHEBI:36703 - tetrachloro-1,4-benzoquinone

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:
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).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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