MZP
Summary
| Name: | 4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE |
| Formula: | C9 H12 N3 O9 P |
| Formal charge: | -2 |
| Formula weight: | 337.18 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-carbamoyl-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-3-ium-5-olate |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-5-(4-aminocarbonyl-5-oxido-imidazol-3-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]P([O-])(=O)OCC2OC(n1c[nH+]c(C(=O)N)c1[O-])C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1[nH+]cn([C@@H]2O[C@H](CO[P]([O-])([O-])=O)[C@@H](O)[C@H]2O)c1[O-] |
| SMILES | CACTVS | 3.341 | NC(=O)c1[nH+]cn([CH]2O[CH](CO[P]([O-])([O-])=O)[CH](O)[CH]2O)c1[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1[nH+]c(c(n1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H14N3O9P/c10-7(15)4-8(16)12(2-11-4)9-6(14)5(13)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,13-14,16H,1H2,(H2,10,15)(H2,17,18,19)/p-2/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | KTKAFSMJDTUUAN-UUOKFMHZSA-L |
