EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231622 - 2-chloromaleylacetate

ChEBI IDCHEBI:231622
ChEBI Name2-chloromaleylacetate
Stars
DefinitionAn oxo dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2-chloromaleylacetic acid; major species at pH 7.3.
Last Modified18 June 2024
SubmitterAdnan
DownloadsMolfile
FormulaC6H3ClO5
Net Charge-2
Average Mass190.538
Monoisotopic Mass189.96800
SMILESO=C([O-])CC(=O)/C=C(/Cl)C(=O)[O-]
InChIInChI=1S/C6H5ClO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/p-2/b4-1+
InChIKeyQOHGUQUQCPIROQ-DAFODLJHSA-L
ChEBI Ontology
Outgoing Relation(s)
2-chloromaleylacetate (CHEBI:231622) is a oxo dicarboxylic acid dianion (CHEBI:133294)
2-chloromaleylacetate (CHEBI:231622) is conjugate base of 2-chloromaleylacetic acid (CHEBI:28489)
Incoming Relation(s)
2-chloromaleylacetic acid (CHEBI:28489) is conjugate acid of 2-chloromaleylacetate (CHEBI:231622)
IUPAC Name 
(2E)-2-chloro-4-oxohex-2-enedioate
Synonyms  Source
2-chloromaleylacetic acid dianionChEBI
2-chloro(maleyl)acetateChEBI
UniProt Name  Source
2-chloromaleylacetateUniProt
Manual XrefsDatabases
C06329KEGG COMPOUND
c0098UM-BBD
2-CHLOROMALEYLACETATEMetaCyc
Citations