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

ChEBI IDCHEBI:55353
ChEBI Name(2E)-but-2-ene-1,2,3-tricarboxylic acid
Stars
ASCII Name(2E)-but-2-ene-1,2,3-tricarboxylic acid
DefinitionA tricarboxylic acid compound consisting of but-2-ene having carboxy substituents at the 1-, 2- and 3-positions.
Last Modified15 April 2010
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H8O6
Net Charge0
Average Mass188.135
Monoisotopic Mass188.03209
SMILESC/C(C(=O)O)=C(/CC(=O)O)C(=O)O
InChIInChI=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+
InChIKeyNUZLRKBHOBPTQV-ONEGZZNKSA-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)
(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 Relation(s)
(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  Source
trans-2-methylaconitic acidSUBMITTER
2-methyl-trans-aconitic acidSUBMITTER
Registry NumbersSources
Beilstein:2416239Beilstein
Citations