A1H3G
Summary
| Name: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE (protonated at N1) |
| Formula: | C10 H15 N5 O6 P |
| Formal charge: | 1 |
| Formula weight: | 332.23 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R},3~{S},5~{R})-5-(6-azanylpurin-1-ium-9-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/p+1/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.06 | KHWCHTKSEGGWEX-RRKCRQDMSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH+]cnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
| SMILES | CACTVS | 3.385 | Nc1[nH+]cnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1[nH+]c(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1[nH+]c(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N |
