8DP
Summary
| Name: | 8-demethyl-8-aminoriboflavin-5'-phosphate |
| Formula: | C16 H19 N5 O9 P |
| Formal charge: | 1 |
| Formula weight: | 456.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{S},3~{S})-5-[8-azanyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H18N5O9P/c1-6-2-8-9(3-7(6)17)21(14-12(18-8)15(25)20-16(26)19-14)4-10(22)13(24)11(23)5-30-31(27,28)29/h2-3,11,13,23-24H,4-5H2,1H3,(H5,17,19,20,25,26,27,28,29)/p+1/t11-,13+/m0/s1 |
| InChIKey | InChI | 1.03 | SDTLZDHOYFRAPQ-WCQYABFASA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2nc3C(=O)NC(=O)Nc3[n+](CC(=O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O)c2cc1N |
| SMILES | CACTVS | 3.385 | Cc1cc2nc3C(=O)NC(=O)Nc3[n+](CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)[C@H]([C@H](COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1N)[n+](c3c(n2)C(=O)NC(=O)N3)CC(=O)C(C(COP(=O)(O)O)O)O |
