CHEBI:15663 - (2E)-3-(methoxycarbonyl)pent-2-enedioic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2E)-3-(methoxycarbonyl)pent-2-enedioic acid
ChEBI ID CHEBI:15663
ChEBI ASCII Name (2E)-3-(methoxycarbonyl)pent-2-enedioic acid
Definition The 2-(methoxycarbonyl) derivative of (Z)-glutaconic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10951, CHEBI:277
Supplier Information
Download Molfile XML SDF
Formula C7H8O6
Net Charge 0
Average Mass 188.13482
Monoisotopic Mass 188.032
InChI InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2+
InChIKey BRYKYSQCLNCYQW-DUXPYHPUSA-N
SMILES COC(=O)C(\CC(O)=O)=C\C(O)=O
Metabolite of Species Details
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) has functional parent (Z)-glutaconic acid (CHEBI:50429)
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) has role Escherichia coli metabolite (CHEBI:76971)
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is a dicarboxylic acid (CHEBI:35692)
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is a methyl ester (CHEBI:25248)
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663) is conjugate acid of (2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470)
Incoming (2E)-3-(methoxycarbonyl)pent-2-enedioate(2−) (CHEBI:57470) is conjugate base of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid (CHEBI:15663)
IUPAC Name
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid
Synonyms Sources
(2E)-3-(methoxycarbonyl)pent-2-enedioic acid UniProt
(E)-3-(Methoxycarbonyl)pent-2-enedioate KEGG COMPOUND
Database Link Database
C11514 KEGG COMPOUND
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Last Modified
25 January 2016