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ChEBI
> Main
CHEBI:27895 - 2-chloro-
cis
,
cis
-muconic acid
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ChEBI Ontology
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ChEBI Name
2-chloro-
cis
,
cis
-muconic acid
ChEBI ID
CHEBI:27895
ChEBI ASCII Name
2-chloro-cis,cis-muconic acid
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1042
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Formula
C6H5ClO4
Net Charge
0
Average Mass
176.55420
Monoisotopic Mass
175.98764
InChI
InChI=1S/C6H5ClO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)/b3-1-,4-2+
InChIKey
OZNNVVBQWHRHHH-HSFFGMMNSA-N
SMILES
OC(=O)\C=C/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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-chloro-
cis
,
cis
-muconic acid (
CHEBI:27895
)
has functional parent
cis
,
cis
-muconic acid (
CHEBI:16508
)
2-chloro-
cis
,
cis
-muconic acid (
CHEBI:27895
)
is a
2-chloromuconic acid (
CHEBI:38434
)
2-chloro-
cis
,
cis
-muconic acid (
CHEBI:27895
)
is conjugate acid of
2-chloro-
cis
,
cis
-muconate(2−) (
CHEBI:19504
)
Incoming
2-chloro-
cis
,
cis
-muconate(2−) (
CHEBI:19504
)
is conjugate base of
2-chloro-
cis
,
cis
-muconic acid (
CHEBI:27895
)
IUPAC Name
(2
E
,4
Z
)-2-chlorohexa-2,4-dienedioic acid
Synonym
Source
2-Chloro-cis,cis-muconate
KEGG COMPOUND
Manual Xref
Database
C03572
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1724076
Beilstein Registry Number
Beilstein
Last Modified
06 June 2007