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CHEBI:19345 - 2,4-dichloro-3-oxoadipate(2−)

ChEBI IDCHEBI:19345
ChEBI Name2,4-dichloro-3-oxoadipate(2−)
Stars
ASCII Name2,4-dichloro-3-oxoadipate(2-)
DefinitionAn oxo dicarboxylate that is the conjugate base of 2,4-dichloro-3-oxoadipic acid arising from the deprotonation of the two carboxy groups. Major microspecies at pH 7.3.
Last Modified19 August 2021
DownloadsMolfile
FormulaC6H4Cl2O5
Net Charge-2
Average Mass226.999
Monoisotopic Mass225.94468
SMILESO=C([O-])CC(Cl)C(=O)C(Cl)C(=O)[O-]
InChIInChI=1S/C6H6Cl2O5/c7-2(1-3(9)10)5(11)4(8)6(12)13/h2,4H,1H2,(H,9,10)(H,12,13)/p-2
InChIKeyPWUASGXACKVWSY-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
2,4-dichloro-3-oxoadipate(2−) (CHEBI:19345) has functional parent adipate(2−) (CHEBI:17128)
2,4-dichloro-3-oxoadipate(2−) (CHEBI:19345) is a oxo dicarboxylate (CHEBI:36147)
2,4-dichloro-3-oxoadipate(2−) (CHEBI:19345) is conjugate base of 2,4-dichloro-3-oxoadipic acid (CHEBI:177909)
Incoming Relation(s)
2,4-dichloro-3-oxoadipic acid (CHEBI:177909) is conjugate acid of 2,4-dichloro-3-oxoadipate(2−) (CHEBI:19345)
IUPAC Name 
2,4-dichloro-3-oxohexanedioate
Synonyms  Source
2,4-dichloro-3-oxoadipateKEGG COMPOUND
2,4-dichloro-3-oxoadipic acid dianionChEBI
2,4-dichloro-3-keto-adipateChEBI
Manual XrefsDatabases
c0739UM-BBD
C18244KEGG COMPOUND