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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28958 - 3-methyl-
cis
,
cis
-muconic acid
Main
ChEBI Ontology
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ChEBI Name
3-methyl-
cis
,
cis
-muconic acid
ChEBI ID
CHEBI:28958
ChEBI ASCII Name
3-methyl-cis,cis-muconic acid
Definition
A dicarboxylic acid that is cis,cis-muconic acid in which the hydrogens at position 3 is substituted by a methyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20119, CHEBI:1586
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Formula
C7H8O4
Net Charge
0
Average Mass
156.13600
Monoisotopic Mass
156.04226
InChI
InChI=1S/C7H8O4/c1-5(4-7(10)11)2-3-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b3-2-,5-4-
InChIKey
LEQDZBVDPGNGMH-LDIADDGTSA-N
SMILES
CC(\C=C/C(O)=O)=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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methyl-
cis
,
cis
-muconic acid (
CHEBI:28958
)
has functional parent
cis
,
cis
-muconic acid (
CHEBI:16508
)
3-methyl-
cis
,
cis
-muconic acid (
CHEBI:28958
)
is a
polyunsaturated dicarboxylic acid (
CHEBI:134531
)
IUPAC Name
(2
Z
,4
Z
)-3-methylhexa-2,4-dienedioic acid
Synonyms
Sources
(2
Z
,4
Z
)-3-methylmuconic acid
ChEBI
3-methyl-
cis
,
cis
-hexadienedioic acid
ChEBI
3-methyl-
cis
,
cis
-muconic acid
ChEBI
Manual Xrefs
Databases
c0208
UM-BBD
C04112
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1723480
Reaxys Registry Number
Reaxys
Last Modified
15 February 2017