GMU
Summary
| Name: | 2'-O-[(2-GUANIDINIUM)ETHYL]-5-METHYLURIDINE 5'-MONOPHOSPHATE |
| Formula: | C13 H24 N5 O9 P |
| Formal charge: | 0 |
| Formula weight: | 425.332 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-O-{2-[(diaminomethyl)amino]ethyl}-5-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5R)-4-[2-(diaminomethylamino)ethoxy]-3-hydroxy-5-(5-methyl-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=C1C)C2OC(C(O)C2OCCNC(N)N)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2OCCNC(N)N)C(=O)NC1=O |
| SMILES | CACTVS | 3.341 | CC1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2OCCNC(N)N)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCCNC(N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)OCCNC(N)N |
| InChI | InChI | 1.03 | InChI=1S/C13H24N5O9P/c1-6-4-18(13(21)17-10(6)20)11-9(25-3-2-16-12(14)15)8(19)7(27-11)5-26-28(22,23)24/h4,7-9,11-12,16,19H,2-3,5,14-15H2,1H3,(H,17,20,21)(H2,22,23,24)/t7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | ZVINVJYRGPQIPJ-TURQNECASA-N |
