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> Main
CHEBI:134415 - 5-chloromuconolactone
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ChEBI Ontology
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ChEBI Name
5-chloromuconolactone
ChEBI ID
CHEBI:134415
Definition
A 5-oxo-2-furylacetic acid that is muconolactone substituted at position 5 by a chloro group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H5ClO4
Net Charge
0
Average Mass
176.555
Monoisotopic Mass
175.98764
InChI
InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)
InChIKey
KGCZGOVWTWDEQD-UHFFFAOYSA-N
SMILES
O1C(C=CC1C(C(O)=O)Cl)=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 xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-chloromuconolactone (
CHEBI:134415
)
has functional parent
5-oxo-2,5-dihydro-2-furylacetic acid (
CHEBI:18080
)
5-chloromuconolactone (
CHEBI:134415
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
5-chloromuconolactone (
CHEBI:134415
)
is a
5-oxo-2-furylacetic acid (
CHEBI:23730
)
5-chloromuconolactone (
CHEBI:134415
)
is a
chlorocarboxylic acid (
CHEBI:36685
)
5-chloromuconolactone (
CHEBI:134415
)
is conjugate acid of
5-chloromuconolactone(1−) (
CHEBI:133250
)
Incoming
5-chloromuconolactone(1−) (
CHEBI:133250
)
is conjugate base of
5-chloromuconolactone (
CHEBI:134415
)
IUPAC Name
chloro(5-oxo-2,5-dihydrofuran-2-yl)acetic acid
Citation
Type
Source
12218013
PubMed citation
Europe PMC
Last Modified
06 February 2017