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CHEBI:87491 - (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate

Default Structure
ChEBI IDCHEBI:87491
ChEBI Name(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate
Stars
ASCII Name(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate
DefinitionA tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid; major species at pH 7.3.
Last Modified17 August 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H5O7
Net Charge-3
Average Mass213.121
Monoisotopic Mass213.00517
SMILESO=C([O-])C[C@H](/C=C/C(=O)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)/p-3/b2-1+/t4-/m0/s1
InChIKeyWHGVLEMQINVDLH-QPHDTYRISA-K
ChEBI Ontology
Outgoing Relation(s)
(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate (CHEBI:87491) is a tricarboxylic acid trianion (CHEBI:27092)
(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate (CHEBI:87491) is conjugate base of (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid (CHEBI:87509)
Incoming Relation(s)
(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid (CHEBI:87509) is conjugate acid of (2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate (CHEBI:87491)
IUPAC Name 
(2R,3E)-5-oxopent-3-ene-1,2,5-tricarboxylate
Synonym  Source
(3E,5R)-2-oxo-5-(carboxymethyl)-3-hexenedioateSUBMITTER
UniProt Name  Source
(3E,5R)-5-carboxy-2-oxohept-3-enedioateUniProt