Showing Metabocard for 3-fumarylpyruvate (BASm0000768)
| Common Name | 3-fumarylpyruvate |
|---|---|
| Description | This compound belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain |
| Structure | |
| Molecular Formula | C7H6O6 |
| Average Mass | 186.11890 |
| Monoisotopic Mass | 186.01644 |
| IUPAC Name | (2E)-4,6-dioxohept-2-enedioic acid |
| Traditional Name | 3-fumarylpyruvic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])/C=C/C(=O)CC(=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)/b2-1+ |
| InChI Key | AZCFLHZUFANAOR-OWOJBTEDSA-N |
| CHEBI ID | CHEBI:16854 |
| HMDB ID | HMDB0060371 |
| State | Not Available |
| Water Solubility | 2.42e+00 g/l |
| logP | -0.11 |
| logS | -1.89 |
| pKa (Strongest Acidic) | 2.50 |
| pKa (Strongest Basic) | -7.19 |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 108.74 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 39.85 m³·mol⁻¹ |
| Polarizability | 15.37 |