MSG
Summary
| Name: | 7-METHYL-6-THIO-GUANOSINE |
| Formula: | C11 H15 N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 313.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-7-methyl-9-beta-D-ribofuranosyl-9H-purin-7-ium-6-thiolate |
| OpenEye OEToolkits | 1.5.0 | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-purin-7-ium-6-thiolate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [S-]c3nc(nc1c3[n+](cn1C2OC(C(O)C2O)CO)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c3nc(N)nc([S-])c13 |
| SMILES | CACTVS | 3.341 | C[n+]1cn([CH]2O[CH](CO)[CH](O)[CH]2O)c3nc(N)nc([S-])c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[n+]1cn(c2c1c(nc(n2)N)[S-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[n+]1cn(c2c1c(nc(n2)N)[S-])C3C(C(C(O3)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O4S/c1-15-3-16(8-5(15)9(21)14-11(12)13-8)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,21)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | RFHIWBUKNJIBSE-KQYNXXCUSA-N |
