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

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ChEBI Name (E)-3-methylglutaconic acid
ChEBI ID CHEBI:37245
ChEBI ASCII Name (E)-3-methylglutaconic acid
Definition A dicarboxylic acid comprising (E)-glutaconic acid carrying a 3-methyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H8O4
Net Charge 0
Average Mass 144.12532
Monoisotopic Mass 144.042
InChI InChI=1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+
InChIKey WKRBKYFIJPGYQC-DUXPYHPUSA-N
SMILES C\C(CC(O)=O)=C/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 (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 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 Numbers Types Sources
1722909 Beilstein Registry Number Beilstein
1722909 Reaxys Registry Number Reaxys
Last Modified
29 September 2016