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CHEBI:177909 - 2,4-dichloro-3-oxoadipic acid

ChEBI IDCHEBI:177909
ChEBI Name2,4-dichloro-3-oxoadipic acid
Stars
DefinitionAn oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 3 and chloro groups at positions 2 and 4.
Last Modified19 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC6H6Cl2O5
Net Charge0
Average Mass229.015
Monoisotopic Mass227.95923
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)
InChIKeyPWUASGXACKVWSY-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)
2,4-dichloro-3-oxoadipic acid (CHEBI:177909) has functional parent adipic acid (CHEBI:30832)
2,4-dichloro-3-oxoadipic acid (CHEBI:177909) is a chlorocarboxylic acid (CHEBI:36685)
2,4-dichloro-3-oxoadipic acid (CHEBI:177909) is a oxo dicarboxylic acid (CHEBI:36145)
2,4-dichloro-3-oxoadipic acid (CHEBI:177909) is conjugate acid of 2,4-dichloro-3-oxoadipate(2−) (CHEBI:19345)
Incoming Relation(s)
2,4-dichloro-3-oxoadipate(2−) (CHEBI:19345) is conjugate base of 2,4-dichloro-3-oxoadipic acid (CHEBI:177909)
IUPAC Name 
2,4-dichloro-3-oxohexanedioic acid
Manual XrefsDatabases
C18244KEGG COMPOUND
Citations