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CHEBI:31074 - 2,5-dichloro-4-oxohex-2-enedioic acid

ChEBI IDCHEBI:31074
ChEBI Name2,5-dichloro-4-oxohex-2-enedioic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is hexanedioic acid containing a double bond between positions 2 and 3, an oxo group at position 4, and two chlorine atoms (at positions 2 and 5).
Last Modified18 March 2011
DownloadsMolfile
FormulaC6H4Cl2O5
Net Charge0
Average Mass226.999
Monoisotopic Mass225.94358
SMILES[H]C(C(=O)C(Cl)C(=O)O)=C(Cl)C(=O)O
InChIInChI=1S/C6H4Cl2O5/c7-2(5(10)11)1-3(9)4(8)6(12)13/h1,4H,(H,10,11)(H,12,13)
InChIKeyPLPVRWUZGSFJJB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) has functional parent 4-oxohex-2-enedioic acid (CHEBI:19672)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is a organochlorine compound (CHEBI:36683)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is a oxo dicarboxylic acid (CHEBI:36145)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is a α,ω-dicarboxylic acid (CHEBI:28383)
2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074) is conjugate acid of 2,5-dichloro-4-oxohex-2-enedioate(2−) (CHEBI:19373)
Incoming Relation(s)
2,5-dichloro-4-oxohex-2-enedioate(2−) (CHEBI:19373) is conjugate base of 2,5-dichloro-4-oxohex-2-enedioic acid (CHEBI:31074)
IUPAC Name 
2,5-dichloro-4-oxohex-2-enedioic acid
Synonym  Source
2,5-Dichloro-4-oxohex-2-enedioateKEGG COMPOUND
Manual XrefsDatabases
C12835KEGG COMPOUND