CHEBI:15668 - (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
ChEBI ID CHEBI:15668
ChEBI ASCII Name (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
Definition A 4-oxo derivative of but-1-ene-1,2,4-tricarboxylic acid with (E)-stereochemistry about the C=C bond.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:279, CHEBI:18629, CHEBI:10954
Supplier Information
Download Molfile XML SDF
Formula C7H6O7
Net Charge 0
Average Mass 202.11830
Monoisotopic Mass 202.011
InChI InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)/b3-2+
InChIKey ODTDYYZJDQGKQT-NSCUHMNNSA-N
SMILES OC(=O)\C=C(/CC(=O)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 (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid (CHEBI:15668) has functional parent but-1-ene-1,2,4-tricarboxylic acid (CHEBI:17516)
(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid (CHEBI:15668) is a tricarboxylic acid (CHEBI:27093)
(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid (CHEBI:15668) is conjugate acid of (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate (CHEBI:57471)
Incoming (1E)-4-oxobut-1-ene-1,2,4-tricarboxylate (CHEBI:57471) is conjugate base of (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid (CHEBI:15668)
IUPAC Name
(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
Synonyms Sources
(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid UniProt
(E)-4-oxobut-1-ene-1,2,4-tricarboxylate ChEBI
(E)-4-Oxobut-1-ene-1,2,4-tricarboxylate KEGG COMPOUND
4-Oxalmesaconic acid KEGG COMPOUND
4-Oxalomesaconate KEGG COMPOUND
Database Link Database
C04434 KEGG COMPOUND
View more database links
Registry Number Type Source
85179-60-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014