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CHEBI:37245 - (E)-3-methylglutaconic acid

ChEBI IDCHEBI:37245
ChEBI Name(E)-3-methylglutaconic acid
Stars
ASCII Name(E)-3-methylglutaconic acid
DefinitionA dicarboxylic acid comprising (E)-glutaconic acid carrying a 3-methyl substituent.
Last Modified29 September 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H8O4
Net Charge0
Average Mass144.126
Monoisotopic Mass144.04226
SMILESC/C(=C\C(=O)O)CC(=O)O
InChIInChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChIKeyWKRBKYFIJPGYQC-DUXPYHPUSA-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)
(E)-3-methylglutaconic acid (CHEBI:37245) has functional parent (E)-glutaconic acid (CHEBI:15670)
(E)-3-methylglutaconic acid (CHEBI:37245) is a dicarboxylic acid (CHEBI:35692)
(E)-3-methylglutaconic acid (CHEBI:37245) is conjugate acid of (E)-3-methylglutaconate anion (CHEBI:133518)
Incoming Relation(s)
trans-3-methylglutaconyl-CoA (CHEBI:15488) has functional parent (E)-3-methylglutaconic acid (CHEBI:37245)
(E)-3-methylglutaconate anion (CHEBI:133518) is conjugate base of (E)-3-methylglutaconic acid (CHEBI:37245)
IUPAC Name 
(E)-3-methylpent-2-enedioic acid
Registry NumbersSources
Reaxys:1722909Reaxys