Showing Metabocard for maleylacetate (BASm0000631)
| Common Name | Maleylacetate |
|---|---|
| Description | 4-Oxohex-2-enedioate is a substrate for carboxymethylenebutenolidase. This dienelactone hydrolase catalyzes the reaction 4-carboxymethylenebut-2-en-4-olide + H2O = 4-oxohex-2-enedioate. Diene lactone hydrolases are frequently used by bacteria to detoxify chlorinated compounds such as 2,5-Dichloro-4-oxohex-2-enedioate and other chlorocatechols. |
| Structure | |
| Molecular Formula | C6H6O5 |
| Average Mass | 158.10880 |
| Monoisotopic Mass | 158.02152 |
| IUPAC Name | 4-oxohex-2-enedioic acid |
| Traditional Name | Maleylacetic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])/C=C\C(=O)CC(=O)[O-] |
| InChI Identifier | InChI=1S/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11) |
| InChI Key | SOXXPQLIZIPMIZ-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16468 |
| State | Not Available |
| Water Solubility | 7.25e+00 g/l |
| logP | -0.06 |
| logS | -1.34 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 91.67 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 34.50 m³·mol⁻¹ |
| Polarizability | 13.31 |