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

ChEBI IDCHEBI:15668
ChEBI Name(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
Stars
ASCII Name(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
DefinitionA 4-oxo derivative of but-1-ene-1,2,4-tricarboxylic acid with (E)-stereochemistry about the C=C bond.
Secondary ChEBI IDsCHEBI:279, CHEBI:10954, CHEBI:18629
Last Modified7 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H6O7
Net Charge0
Average Mass202.118
Monoisotopic Mass202.01135
SMILESO=C(O)/C=C(\CC(=O)C(=O)O)C(=O)O
InChIInChI=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+
InChIKeyODTDYYZJDQGKQT-NSCUHMNNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
(E)-4-Oxobut-1-ene-1,2,4-tricarboxylateKEGG COMPOUND
(E)-4-oxobut-1-ene-1,2,4-tricarboxylateChEBI
4-OxalomesaconateKEGG COMPOUND
4-Oxalmesaconic acidKEGG COMPOUND
Manual XrefsDatabases
C04434KEGG COMPOUND
C04434KEGG COMPOUND
Registry NumbersSources
CAS:85179-60-8KEGG COMPOUND