AP7
Summary
| Name: | N1-PROTONATED ADENOSINE-5'-MONOPHOSPHATE |
| Formula: | C10 H15 N5 O7 P |
| Formal charge: | 1 |
| Formula weight: | 348.229 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-adenylic acid |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4R,5R)-5-(6-azanylpurin-1-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC3OC(n2cnc1c(N)[nH+]cnc12)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1[nH+]cnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.370 | Nc1[nH+]cnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | UDMBCSSLTHHNCD-KQYNXXCUSA-O |
