5AA
Summary
| Name: | N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE |
| Synonyms: | PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE |
| Formula: | C12 H19 N6 O6 P |
| Formal charge: | 0 |
| Formula weight: | 374.29 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2S,3S,4R,5R)-3-amino-5-(6-dimethylaminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](N)[C@H]3O |
| SMILES | CACTVS | 3.341 | CN(C)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](N)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | BFPIKGKMRKBBBF-GRIPGOBMSA-N |
