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CHEBI:1794 - (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid

Default Structure
ChEBI IDCHEBI:1794
ChEBI Name(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
Stars
ASCII Name(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
DefinitionA tricarboxylic acid that is adipic acid which has been substituted at positions 2 and 4 by oxo and carboxy groups, respectively, and which has undergone formal dehydrogenation to introduce a double bond with Z configuration at the 3-4 position.
Last Modified31 October 2019
DownloadsMolfile
FormulaC7H6O7
Net Charge0
Average Mass202.118
Monoisotopic Mass202.01135
SMILESO=C(O)C/C(=C/C(=O)C(=O)O)C(=O)O
InChIInChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1-
InChIKeyPOTZSFVTPSBXLW-IWQZZHSRSA-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)
(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid (CHEBI:1794) is a enone (CHEBI:51689)
(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid (CHEBI:1794) is a tricarboxylic acid (CHEBI:27093)
(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid (CHEBI:1794) is conjugate acid of (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylate (CHEBI:142690)
Incoming Relation(s)
(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylate (CHEBI:142690) is conjugate base of (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid (CHEBI:1794)
IUPAC Name 
(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
Synonym  Source
(3Z)-4-carboxy-2-oxohex-3-enedioic acidChEBI
Manual XrefsDatabases
C05364KEGG COMPOUND
HJ7PDBeChem
Citations