6MD
Summary
| Name: | N-methyladenosine |
| Formula: | C11 H15 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 281.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyladenosine |
| OpenEye OEToolkits | 1.7.6 | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | VQAYFKKCNSOZKM-IOSLPCCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O |
