Showing Metabocard for 1-deoxy-D-xylulose 5-phosphate (BASm0002964)
| Common Name | 1-deoxy-d-xylulose 5-phosphate |
|---|---|
| Description | 1-Deoxy-D-xylulose 5-phosphate is a substrate for 2,4-dienoyl-CoA reductase (mitochondrial). It has been found to be a metabolite of Escherichia and Streptomyces (PMID: 10648511 ; PMID: 9371765). |
| Structure | |
| Molecular Formula | C5H11O7P |
| Average Mass | 214.11040 |
| Monoisotopic Mass | 214.02424 |
| IUPAC Name | {[(2R,3S)-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid |
| Traditional Name | [(2r,3s)-2,3-dihydroxy-4-oxopentyl]oxyphosphonic acid |
| CAS Registry Number | 190079-18-6 |
| SMILES | CC(=O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-] |
| InChI Identifier | InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1 |
| InChI Key | AJPADPZSRRUGHI-RFZPGFLSSA-N |
| CHEBI ID | CHEBI:57792 |
| HMDB ID | HMDB0001213 |
| State | Solid |
| Water Solubility | 2.76e+01 g/l |
| logP | -1.93 |
| logS | -0.89 |
| pKa (Strongest Acidic) | 1.48 |
| pKa (Strongest Basic) | -3.58 |
| Hydrogen Acceptor Count | 6 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 124.29 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 40.77 m³·mol⁻¹ |
| Polarizability | 17.50 |