NG3
Summary
| Name: | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) |
| Synonyms: | 3'-amino-dGTP |
| Formula: | C10 H17 N6 O12 P3 |
| Formal charge: | 0 |
| Formula weight: | 506.196 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) |
| OpenEye OEToolkits | 2.0.7 | [[(2~{S},3~{S},5~{R})-3-azanyl-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3 |
| InChI | InChI | 1.03 | InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | ILTYANYMUGEMNF-KVQBGUIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23 |
| SMILES | CACTVS | 3.385 | N[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3C(=O)N=C(N)Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)NC(=NC2=O)N |
