Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:47:03 UTC
Update Date2022-08-31 18:24:02 UTC
Metabolite IDMMDBc0031735
Metabolite Identification
Common Name(E)-3-(Methoxycarbonyl)pent-2-enedioate
Description(E)-3-(Methoxycarbonyl)pent-2-enedioate is an intermediate in the synthesis of S-adenosyl-homocysteine. It is a substrate for the enzyme trans-aconitate 2-methyltransferase which catalyzes the following reaction: S-adenosyl-L-methionine + trans-aconitate = S-adenosyl-L-homocysteine + (E)-3-(methoxycarbonyl)pent-2-enedioate.
Structure
Synonyms
ValueSource
(e)-3-(Methoxycarbonyl)pent-2-enedioic acidGenerator
(e)-3-(Methoxycarbonyl)pent-2-enedioateChEBI
(2E)-3-(Methoxycarbonyl)pent-2-enedioateGenerator
Molecular FormulaC7H8O6
Average Mass188.1348
Monoisotopic Mass188.032087988
IUPAC Name(2E)-3-(methoxycarbonyl)pent-2-enedioic acid
Traditional Name(2E)-3-(methoxycarbonyl)pent-2-enedioic acid
CAS Registry NumberNot Available
SMILES
COC(=O)C(\CC(O)=O)=C\C(O)=O
InChI Identifier
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+
InChI KeyBRYKYSQCLNCYQW-DUXPYHPUSA-N