U1P
Summary
| Name: | 6-[(E)-iminomethyl]uridine 5'-phosphate |
| Formula: | C10 H14 N3 O9 P |
| Formal charge: | 0 |
| Formula weight: | 351.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-[(E)-iminomethyl]uridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(iminomethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=O)N(C(C=[N@H])=C1)C2OC(C(O)C2O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C=N |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C/C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=CC1=CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N3O9P/c11-2-4-1-6(14)12-10(17)13(4)9-8(16)7(15)5(22-9)3-21-23(18,19)20/h1-2,5,7-9,11,15-16H,3H2,(H,12,14,17)(H2,18,19,20)/b11-2+/t5-,7-,8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | GSNYQYNODBCZBM-XDMCGQROSA-N |
