U8U
Summary
| Name: | 5-METHYLAMINOMETHYL-2-THIOURIDINE-5'-MONOPHOSPHATE |
| Formula: | C11 H18 N3 O8 P S |
| Formal charge: | 0 |
| Formula weight: | 383.315 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-[(methylamino)methyl]-1-(5-O-phosphono-beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,4R,5R)-3,4-dihydroxy-5-[5-(methylaminomethyl)-4-oxo-2-sulfanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=S)N(C=C1CNC)C2OC(C(O)C2O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CNCC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=S)NC1=O |
| SMILES | CACTVS | 3.341 | CNCC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNCC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNCC1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18N3O8PS/c1-12-2-5-3-14(11(24)13-9(5)17)10-8(16)7(15)6(22-10)4-21-23(18,19)20/h3,6-8,10,12,15-16H,2,4H2,1H3,(H,13,17,24)(H2,18,19,20)/t6-,7-,8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | LVNQROXSHGRCLA-FDDDBJFASA-N |
