7O6
Summary
| Name: | [(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
| Formula: | C17 H20 N4 O10 P |
| Formal charge: | 1 |
| Formula weight: | 471.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{S},3~{R},4~{R})-5-[8-methanoyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H19N4O10P/c1-7-2-9-10(3-8(7)5-22)21(15-13(18-9)16(26)20-17(27)19-15)4-11(23)14(25)12(24)6-31-32(28,29)30/h2-3,5,11-12,14,23-25H,4,6H2,1H3,(H3,20,26,27,28,29,30)/p+1/t11-,12+,14-/m1/s1 |
| InChIKey | InChI | 1.03 | TZAPMZFMEMVUSE-MBNYWOFBSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2nc3C(=O)NC(=O)Nc3[n+](C[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O)c2cc1C=O |
| SMILES | CACTVS | 3.385 | Cc1cc2nc3C(=O)NC(=O)Nc3[n+](C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O |
