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CHEBI:149587 - 2-chloro-3-oxoadipate

ChEBI IDCHEBI:149587
ChEBI Name2-chloro-3-oxoadipate
Stars
DefinitionAn oxo dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2-chloro-3-oxoadipic acid. Major species at pH 7.3.
Last Modified27 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC6H5ClO5
Net Charge-2
Average Mass192.554
Monoisotopic Mass191.98365
SMILESO=C([O-])CCC(=O)C(Cl)C(=O)[O-]
InChIInChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)/p-2
InChIKeyYJYHEBUTQYISNJ-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
2-chloro-3-oxoadipate (CHEBI:149587) is a oxo dicarboxylic acid dianion (CHEBI:133294)
2-chloro-3-oxoadipate (CHEBI:149587) is conjugate base of 2-chloro-3-oxoadipic acid (CHEBI:19500)
Incoming Relation(s)
2-chloro-3-oxoadipic acid (CHEBI:19500) is conjugate acid of 2-chloro-3-oxoadipate (CHEBI:149587)
IUPAC Name 
2-chloro-3-oxohexanedioate
Synonym  Source
2-chloro-3-keto-adipateChEBI
Manual XrefsDatabases
c0490UM-BBD
Citations