CHEBI:28958 - 3-methyl-cis,cis-muconic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information
Download Molfile XML SDF
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 (Bronsted 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
(2Z,4Z)-3-methylhexa-2,4-dienedioic acid
Synonyms Sources
(2Z,4Z)-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