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CHEBI:19500 - 2-chloro-3-oxoadipic acid
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ChEBI Name
2-chloro-3-oxoadipic acid
ChEBI ID
CHEBI:19500
Definition
An 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.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:31078
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Formula
C6H7ClO5
Net Charge
0
Average Mass
194.570
InChI
InChI=1S/C6H7ClO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2H2,(H,9,10)(H,11,12)
InChIKey
YJYHEBUTQYISNJ-UHFFFAOYSA-N
SMILES
OC(=O)CCC(=O)C(C(O)=O)Cl
Metabolite of Species
Details
Pseudomonas
sp.
(NCBI:txid306)
of strain PS12 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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 Xref
Database
C12836
KEGG COMPOUND
View more database links
Citation
Type
Source
16348484
PubMed citation
Europe PMC
Last Modified
27 April 2020