Showing Metabocard for 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole (BASm0003665)
| Common Name | 5-carboxyamino-1-(5-phospho-d-ribosyl)imidazole |
|---|---|
| Description | 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole is an intermediate in purine metabolism and IMP biosynthesis via the de novo pathway. It is a substrate of the PurK enzyme which catalyzes the ATP-dependent conversion of 5-aminoimidazole ribonucleotide (AIR) and HCO3- to N5-carboxyaminoimidazole ribonucleotide (N5-CAIR). |
| Structure | |
| Molecular Formula | C9H11N3O9P |
| Average Mass | 336.17210 |
| Monoisotopic Mass | 336.02329 |
| IUPAC Name | N-(1-{3,4-dihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}-1H-imidazol-5-yl)carbamate |
| Traditional Name | N-(3-{3,4-dihydroxy-5-[(phosphonatooxy)methyl]oxolan-2-yl}imidazol-4-yl)carbamate |
| CAS Registry Number | Not Available |
| SMILES | O=C([O-])Nc1cncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O |
| InChI Identifier | InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/p-3 |
| InChI Key | JHLXDWGVSYMXPL-UHFFFAOYSA-K |
| CHEBI ID | CHEBI:58730 |
| State | Not Available |
| Water Solubility | 5.52e+00 g/l |
| logP | -1.15 |
| logS | -1.85 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | 10 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 192.09 Ų |
| Rotatable Bond Count | 5 |
| Physiological Charge | Not Available |
| Formal Charge | -3 |
| Refractivity | 76.05 m³·mol⁻¹ |
| Polarizability | 27.05 |