8GD
Summary
| Name: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) |
| Synonyms: | 8-oxo-7,8-dihydro-2'-deoxy-guanosine-5'-diphosphate |
| Formula: | C10 H15 N5 O11 P2 |
| Formal charge: | 0 |
| Formula weight: | 443.201 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(2R,3S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1 |
| SMILES | CACTVS | 3.352 | NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)OP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | LJMLTZSNWOCYNQ-VPENINKCSA-N |
