G46
Summary
| Name: | GUANOSINE-5'-MONOTHIOPHOSPHATE |
| Synonyms: | 5'-O-thiophosphonoguanosine |
| Formula: | C10 H14 N5 O7 P S |
| Formal charge: | 0 |
| Formula weight: | 379.286 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-O-thiophosphonoguanosine |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(19,20)24/h2-3,5-6,9,16-17H,1H2,(H2,19,20,24)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | DIDGPCDGNMIUNX-UUOKFMHZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(S)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(S)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)S)O)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1C3C(C(C(O3)COP(=O)(O)S)O)O)N=C(NC2=O)N |
