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> Main
CHEBI:28489 - 2-chloromaleylacetic acid
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ChEBI Name
2-chloromaleylacetic acid
ChEBI ID
CHEBI:28489
Definition
An organochlorine compound that is maleylacetic acid substituted by a chloro group at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19509, CHEBI:1045
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Formula
C6H5ClO5
Net Charge
0
Average Mass
192.550
Monoisotopic Mass
191.98255
InChI
InChI=1S/C6H5ClO5/c7-4(6(11)12)1-3(8)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)/b4-1+
InChIKey
QOHGUQUQCPIROQ-DAFODLJHSA-N
SMILES
OC(=O)CC(=O)\C=C(\Cl)C(O)=O
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-chloromaleylacetic acid (
CHEBI:28489
)
has functional parent
maleylacetic acid (
CHEBI:1184
)
2-chloromaleylacetic acid (
CHEBI:28489
)
has role
bacterial metabolite (
CHEBI:76969
)
2-chloromaleylacetic acid (
CHEBI:28489
)
is a
organochlorine compound (
CHEBI:36683
)
2-chloromaleylacetic acid (
CHEBI:28489
)
is a
oxo dicarboxylic acid (
CHEBI:36145
)
2-chloromaleylacetic acid (
CHEBI:28489
)
is conjugate acid of
2-chloromaleylacetate (
CHEBI:231622
)
Incoming
2-chloromaleylacetate (
CHEBI:231622
)
is conjugate base of
2-chloromaleylacetic acid (
CHEBI:28489
)
IUPAC Name
(2
E
)-2-chloro-4-oxohex-2-enedioic acid
Synonyms
Sources
(
E
)-2-chloro-4-oxo-2-hexenedioic acid
ChEBI
2-chloro(maleyl)acetic acid
ChEBI
Manual Xref
Database
C00007488
KNApSAcK
View more database links
Citations
Types
Sources
405140
Chinese Abstracts citation
Europe PMC
8526500
PubMed citation
Europe PMC
Last Modified
18 June 2024