CHEBI:15749 - 3-carboxy-cis,cis-muconic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-carboxy-cis,cis-muconic acid
ChEBI ID CHEBI:15749
ChEBI ASCII Name 3-carboxy-cis,cis-muconic acid
Definition The 3-carboxy derivative of cis,cis-muconic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11767, CHEBI:1468, CHEBI:12801, CHEBI:11766, CHEBI:19976
Supplier Information
Download Molfile XML SDF
Formula C7H6O6
Net Charge 0
Average Mass 186.11894
Monoisotopic Mass 186.016
InChI InChI=1S/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)/b2-1-,4-3+
InChIKey KJOVGYUGXHIVAY-BXTBVDPRSA-N
SMILES OC(=O)\C=C/C(=C\C(O)=O)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-carboxy-cis,cis-muconic acid (CHEBI:15749) is a tricarboxylic acid (CHEBI:27093)
3-carboxy-cis,cis-muconic acid (CHEBI:15749) is conjugate acid of 3-carboxy-cis,cis-muconate(3−) (CHEBI:57496)
Incoming 3-carboxy-cis,cis-muconate(3−) (CHEBI:57496) is conjugate base of 3-carboxy-cis,cis-muconic acid (CHEBI:15749)
IUPAC Name
(1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid
Synonyms Sources
3-carboxy-cis,cis-muconate ChEBI
3-Carboxy-cis,cis-muconate KEGG COMPOUND
3-carboxy-cis,cis-muconic acid UniProt
beta-carboxy-cis,cis-muconate ChEBI
beta-Carboxy-cis,cis-muconate KEGG COMPOUND
cis,cis-butadiene-1,2,4-tricarboxylate ChEBI
cis,cis-Butadiene-1,2,4-tricarboxylate KEGG COMPOUND
Database Links Databases
C00007499 KNApSAcK
C01163 KEGG COMPOUND
c0191 UM-BBD
View more database links
Registry Number Type Source
1116-26-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014