Showing Metabocard for 3-(imidazol-4-yl)-2-oxopropyl phosphate (BASm0002946)
| Common Name | 3-(imidazol-4-yl)-2-oxopropyl phosphate |
|---|---|
| Description | Imidazole acetol-phosphate is involved in the histidine biosynthesis I pathway. Imidazole acetol-phosphate is created by the breakdown of D-erythro-imidazole-glycerol-phosphate into imidazole acetol-phosphate and H2O. Imidazoleglycerol-phosphate dehydratase catalyzes this reaction. Imidazole acetol-phosphate reacts with L-glutamate to produce L-histidinol-phosphate and 2-ketoglutarate. Histidinol-phosphate aminotransferase catalyzes this reaction. |
| Structure | |
| Molecular Formula | C6H9N2O5P |
| Average Mass | 220.11980 |
| Monoisotopic Mass | 220.02491 |
| IUPAC Name | [3-(1H-imidazol-4-yl)-2-oxopropoxy]phosphonic acid |
| Traditional Name | 3-(1h-imidazol-4-yl)-2-oxopropoxyphosphonic acid |
| CAS Registry Number | 99979-59-6 |
| SMILES | O=C(COP(=O)([O-])[O-])Cc1c[nH]cn1 |
| InChI Identifier | InChI=1S/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12) |
| InChI Key | YCFFMSOLUMRAMD-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:57766 |
| HMDB ID | HMDB0012236 |
| State | Solid |
| Water Solubility | 1.49e+01 g/l |
| logP | -0.90 |
| logS | -1.17 |
| pKa (Strongest Acidic) | 1.23 |
| pKa (Strongest Basic) | 6.65 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 112.51 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | -2 |
| Formal Charge | 0 |
| Refractivity | 46.07 m³·mol⁻¹ |
| Polarizability | 18.15 |