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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:27671 -
cis
,
trans
-muconic acid
Main
ChEBI Ontology
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ChEBI Name
cis
,
trans
-muconic acid
ChEBI ID
CHEBI:27671
ChEBI ASCII Name
cis,trans-muconic acid
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:10453, CHEBI:27033, CHEBI:23262
Supplier Information
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Molfile
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Molfile
Formula
C6H6O4
Net Charge
0
Average Mass
142.10944
Monoisotopic Mass
142.02661
InChI
InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2+
InChIKey
TXXHDPDFNKHHGW-HSFFGMMNSA-N
SMILES
OC(=O)\C=C\C=C/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):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via
muconic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cis
,
trans
-muconic acid (
CHEBI:27671
)
is a
muconic acid (
CHEBI:38407
)
cis
,
trans
-muconic acid (
CHEBI:27671
)
is conjugate acid of
cis
,
trans
-muconate (
CHEBI:27031
)
Incoming
(
E
,
E
)-3-chloromuconic acid (
CHEBI:38432
)
has functional parent
cis
,
trans
-muconic acid (
CHEBI:27671
)
(
Z
,
Z
)-3-chloromuconic acid (
CHEBI:38435
)
has functional parent
cis
,
trans
-muconic acid (
CHEBI:27671
)
cis
,
trans
-muconate (
CHEBI:27031
)
is conjugate base of
cis
,
trans
-muconic acid (
CHEBI:27671
)
IUPAC Name
(2
Z
,4
E
)-hexa-2,4-dienedioic acid
Manual Xref
Database
C03647
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1722247
Beilstein Registry Number
Beilstein
Last Modified
24 February 2022