GS
Summary
| Name: | 2'-deoxyguanosine-5'-thio-monophosphate |
| Formula: | C10 H14 N5 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 363.287 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2'-deoxy-5'-O-[(S)-thiophosphono]guanosine |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(S)OCC1OC(CC1O)n1cnc2c1N=C(N)NC2=O |
| InChI | InChI | 1.06 | InChI=1S/C10H14N5O6PS/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.06 | PSIUGNOLTIFXCJ-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(S)=O)O3 |
| SMILES | CACTVS | 3.385 | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(S)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)S)O)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1nc2c(n1C3CC(C(O3)COP(=O)(O)S)O)N=C(NC2=O)N |
