2MA
Summary
| Name: | 2-METHYLADENOSINE-5'-MONOPHOSPHATE |
| Formula: | C11 H16 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 361.248 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-methyladenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-methyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=P(O)(O)OCC1OC(n2cnc3c(N)nc(C)nc32)C(O)C1O |
| InChI | InChI | 1.06 | InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.06 | DEYSCYWEHGTTSA-IOSLPCCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(N)c2ncn([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |
| SMILES | CACTVS | 3.385 | Cc1nc(N)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N |
