CHEBI:16281 - 3-(2-carboxyethenyl)-cis,cis-muconic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(2-carboxyethenyl)-cis,cis-muconic acid
ChEBI ID CHEBI:16281
ChEBI ASCII Name 3-(2-carboxyethenyl)-cis,cis-muconic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1421, CHEBI:11717, CHEBI:19920
Supplier Information
Download Molfile XML SDF
Formula C9H8O6
Net Charge 0
Average Mass 212.15622
Monoisotopic Mass 212.032
InChI InChI=1S/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)/b3-1-,4-2-
InChIKey WKDXBDTUVVLFQV-CCAGOZQPSA-N
SMILES OC(=O)\C=C/C(=CC(O)=O)/C=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-(2-carboxyethenyl)-cis,cis-muconic acid (CHEBI:16281) is a tricarboxylic acid (CHEBI:27093)
3-(2-carboxyethenyl)-cis,cis-muconic acid (CHEBI:16281) is conjugate acid of 3-(2-carboxylatoethenyl)-cis,cis-muconate(3−) (CHEBI:57713)
Incoming 3-(2-carboxylatoethenyl)-cis,cis-muconate(3−) (CHEBI:57713) is conjugate base of 3-(2-carboxyethenyl)-cis,cis-muconic acid (CHEBI:16281)
IUPAC Name
(2Z,5Z)-4-(carboxymethylidene)hepta-2,5-dienedioic acid
Synonyms Sources
3-(2-carboxyethenyl)-cis,cis-muconate ChEBI
3-(2-Carboxyethenyl)-cis,cis-muconate KEGG COMPOUND
3-(2-carboxyethenyl)-cis,cis-muconic acid UniProt
3-(2-carboxyvinyl)-cis,cis-muconate ChEBI
Manual Xref Database
C04366 KEGG COMPOUND
View more database links
Last Modified
04 August 2014