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

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ChEBI Name (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
ChEBI ID CHEBI:1794
ChEBI ASCII Name (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
Definition A 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.
Stars This entity has been manually annotated by a third party.
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Formula C7H6O7
Net Charge 0
Average Mass 202.119
Monoisotopic Mass 202.01135
InChI InChI=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-
InChIKey POTZSFVTPSBXLW-IWQZZHSRSA-N
SMILES C(/C(=C/C(C(=O)O)=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 )
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ChEBI Ontology
Outgoing (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 (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 acid ChEBI
Manual Xrefs Databases
C05364 KEGG COMPOUND
HJ7 PDBeChem
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Last Modified
31 October 2019