2X3
Summary
| Name: | (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate |
| Formula: | C10 H16 N5 O14 P3 |
| Formal charge: | 0 |
| Formula weight: | 523.18 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H16N5O14P3/c11-9-13-5-3(6(17)14-9)12-8-10(18)2(27-7(4(10)16)15(5)8)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4,7-8,12,16,18H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t2-,4+,7-,8+,10-/m1/s1 |
| InChIKey | InChI | 1.03 | HRBCPXBJAWPPIC-FKPGNCNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC2=C(N[C@H]3N2[C@@H]4O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@]3(O)[C@H]4O)C(=O)N1 |
| SMILES | CACTVS | 3.370 | NC1=NC2=C(N[CH]3N2[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C]3(O)[CH]4O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O |
