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

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ChEBI Name 2,4-dichloro-3-oxoadipic acid
ChEBI ID CHEBI:177909
Definition An oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 3 and chloro groups at positions 2 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C6H6Cl2O5
Net Charge 0
Average Mass 229.010
Monoisotopic Mass 227.95923
InChI InChI=1S/C6H6Cl2O5/c7-2(1-3(9)10)5(11)4(8)6(12)13/h2,4H,1H2,(H,9,10)(H,12,13)
InChIKey PWUASGXACKVWSY-UHFFFAOYSA-N
SMILES OC(=O)CC(Cl)C(=O)C(Cl)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 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 Xref Database
C18244 KEGG COMPOUND
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Citation
Potrawfke T, Timmis KN, Wittich RM (1998)
Degradation of 1,2,3,4-tetrachlorobenzene by pseudomonas chlororaphis RW71
Applied and environmental microbiology 64, 3798-3806 [PubMed:9758802]
[show Abstract]
Last Modified
19 August 2021