Showing Metabocard for 2-dehydro-3-deoxy-6-phospho-D-gluconate (BASm0002804)
| Common Name | 2-dehydro-3-deoxy-6-phospho-d-gluconate |
|---|---|
| Description | 2-Keto-3-deoxy-6-phosphogluconic acid is a substrate for Fructose-bisphosphate aldolase A. It can be found in Achromobacter, Alcaligenes, Clostridium and Rhodobacteraceae (PMID: 5383859 ; PMID: 5304016 ) (M. Szymona and M. Doudoroff. Carbohydrate Metabolism in Rhodopseudomonas spheroides. J. Gen. Microbiol (1960). 22: 167-183). |
| Structure | |
| Molecular Formula | C6H11O9P |
| Average Mass | 258.11990 |
| Monoisotopic Mass | 258.01407 |
| IUPAC Name | (4S,5R)-4,5-dihydroxy-2-oxo-6-(phosphonooxy)hexanoic acid |
| Traditional Name | Kdpg intermediate |
| CAS Registry Number | 27244-54-8 |
| SMILES | O=C([O-])C(=O)C[C@H](O)[C@H](O)COP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1 |
| InChI Key | OVPRPPOVAXRCED-WVZVXSGGSA-N |
| CHEBI ID | CHEBI:57569 |
| HMDB ID | HMDB0001376 |
| State | Solid |
| Water Solubility | 1.43e+01 g/l |
| logP | -2.36 |
| logS | -1.26 |
| pKa (Strongest Acidic) | 1.48 |
| pKa (Strongest Basic) | -3.27 |
| Hydrogen Acceptor Count | 8 |
| Hydrogen Donor Count | 5 |
| Polar Surface Area | 161.59 Ų |
| Rotatable Bond Count | 7 |
| Physiological Charge | -3 |
| Formal Charge | 0 |
| Refractivity | 47.19 m³·mol⁻¹ |
| Polarizability | 20.17 |