Showing Metabocard for 2,3-dioxo-L-gulonate (BASm0002700)
| Common Name | 2,3-dioxo-l-gulonate |
|---|---|
| Description | 2,3-Diketo-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 2,3-Diketo-L-gulonate is produced from Dehydroascorbate and then converted to L-Xylonate via the enzyme Lyases (EC 4.1.1.-). |
| Structure | |
| Molecular Formula | C6H8O7 |
| Average Mass | 192.12350 |
| Monoisotopic Mass | 192.02700 |
| IUPAC Name | (4S,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid |
| Traditional Name | (4s,5s)-4,5,6-trihydroxy-2,3-dioxohexanoic acid |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])C(=O)C(=O)[C@H](O)[C@@H](O)CO |
| InChI Identifier | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3?/m0/s1 |
| InChI Key | GJQWCDSAOUMKSE-SCQFTWEKSA-N |
| CHEBI ID | CHEBI:57441 |
| HMDB ID | HMDB06511 |
| State | Solid |
| Water Solubility | 5.99e+01 g/l |
| logP | -1.77 |
| logS | -0.51 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 7 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 132.13 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Refractivity | 37.04 m³·mol⁻¹ |
| Polarizability | 15.25 |