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CHEBI:19500 - 2-chloro-3-oxoadipic acid

ChEBI IDCHEBI:19500
ChEBI Name2-chloro-3-oxoadipic acid
Stars
DefinitionAn oxo dicarboxylic acid that is adipic acid which is substituted by a chloro group at position 2 and by an oxo group at position 3.
Secondary ChEBI IDCHEBI:31078
Last Modified27 April 2020
DownloadsMolfile
FormulaC6H7ClO5
Net Charge0
Average Mass194.570
Monoisotopic Mass193.99820
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)
InChIKeyYJYHEBUTQYISNJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas sp. (ncbitaxon:306) - PubMed (16348484) Strain: PS12
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2-chloro-3-oxoadipic acid (CHEBI:19500) has functional parent adipic acid (CHEBI:30832)
2-chloro-3-oxoadipic acid (CHEBI:19500) has role bacterial metabolite (CHEBI:76969)
2-chloro-3-oxoadipic acid (CHEBI:19500) is a organochlorine compound (CHEBI:36683)
2-chloro-3-oxoadipic acid (CHEBI:19500) is a oxo dicarboxylic acid (CHEBI:36145)
2-chloro-3-oxoadipic acid (CHEBI:19500) is conjugate acid of 2-chloro-3-oxoadipate (CHEBI:149587)
Incoming Relation(s)
2-chloro-3-oxoadipate (CHEBI:149587) is conjugate base of 2-chloro-3-oxoadipic acid (CHEBI:19500)
IUPAC Name 
2-chloro-3-oxohexanedioic acid
Manual XrefsDatabases
C12836KEGG COMPOUND
Citations