Showing Metabocard for (E)-3-(methoxycarbonyl)pent-2-enedioate (BASm0002726)
| Common Name | (e)-3-(methoxycarbonyl)pent-2-enedioate |
|---|---|
| Description | E-3-carboxy-2-pentenedioate 6-methyl ester is catalyzed by trans-aconitate methyltransferase. The trans-aconitate methyltransferase from the bacterium Escherichia coli catalyzes the monomethyl esterification of trans-aconitate and related compounds. Using two-dimensional (1)H/(13)C nuclear magnetic resonance spectroscopy, we show that the methylation is specific to one of the three carboxyl groups and further demonstrate that the product is the 6-methyl ester of trans-aconitate (E-3-carboxy-2-pentenedioate 6-methyl ester). (PMID 11329290 ) |
| Structure | |
| Molecular Formula | C7H6O6 |
| Average Mass | 186.11890 |
| Monoisotopic Mass | 186.01644 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COC(=O)/C(=C/C(=O)[O-])CC(=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)/p-2/b4-2+ |
| InChI Key | BRYKYSQCLNCYQW-DUXPYHPUSA-L |
| CHEBI ID | CHEBI:57470 |
| MiMeDB ID | MMDBc0031609 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |