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CHEBI:36502 - (2E,4E)-5-carboxypenta-2,4-dienoate

Default Structure
ChEBI IDCHEBI:36502
ChEBI Name(2E,4E)-5-carboxypenta-2,4-dienoate
Stars
ASCII Name(2E,4E)-5-carboxypenta-2,4-dienoate
DefinitionA dicarboxylic acid monoanion that is the conjugate base of trans,trans-muconic acid.
Last Modified8 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H5O4
Net Charge-1
Average Mass141.102
Monoisotopic Mass141.01933
SMILESO=C([O-])/C=C/C=C/C(=O)O
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/p-1/b3-1+,4-2+
InChIKeyTXXHDPDFNKHHGW-ZPUQHVIOSA-M
Roles Classification
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) has role human xenobiotic metabolite (CHEBI:76967)
(2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) is a dicarboxylic acid monoanion (CHEBI:35695)
(2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) is conjugate acid of trans,trans-muconate (CHEBI:27035)
(2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502) is conjugate base of trans,trans-muconic acid (CHEBI:27036)
Incoming Relation(s)
trans,trans-muconic acid (CHEBI:27036) is conjugate acid of (2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502)
trans,trans-muconate (CHEBI:27035) is conjugate base of (2E,4E)-5-carboxypenta-2,4-dienoate (CHEBI:36502)
IUPAC Name 
(2E,4E)-5-carboxypenta-2,4-dienoate