CHEBI:55353 - (2E)-but-2-ene-1,2,3-tricarboxylic acid

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ChEBI Name (2E)-but-2-ene-1,2,3-tricarboxylic acid
ChEBI ID CHEBI:55353
ChEBI ASCII Name (2E)-but-2-ene-1,2,3-tricarboxylic acid
Definition A tricarboxylic acid compound consisting of but-2-ene having carboxy substituents at the 1-, 2- and 3-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C7H8O6
Net Charge 0
Average Mass 188.13480
Monoisotopic Mass 188.032
InChI InChI=1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3+
InChIKey NUZLRKBHOBPTQV-ONEGZZNKSA-N
SMILES C\C(C(O)=O)=C(\CC(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 (2E)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:55353) is a tricarboxylic acid (CHEBI:27093)
(2E)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:55353) is conjugate acid of (2E)-but-2-ene-1,2,3-tricarboxylate (CHEBI:58915)
Incoming (2E)-but-2-ene-1,2,3-tricarboxylate (CHEBI:58915) is conjugate base of (2E)-but-2-ene-1,2,3-tricarboxylic acid (CHEBI:55353)
IUPAC Name
(2E)-but-2-ene-1,2,3-tricarboxylic acid
Synonyms Sources
2-methyl-trans-aconitic acid SUBMITTER
trans-2-methylaconitic acid SUBMITTER
Registry Number Type Source
2416239 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
14702315 PubMed citation SUBMITTER
Last Modified
15 April 2010
Submitter Remark
2010-01-08 10:30:19.0 Kristian Axelsen Needed for new IUBMB EC 4.2.1.117