1MA
Summary
| Name: | 6-HYDRO-1-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 | 12.01 | 1-methyladenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,5R)-5-(6-azanylidene-1-methyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3\C(=N)N(C)C=Nc23 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | BKBYKEWNXKDACS-JOLDIKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Nc2n(cnc2C1=N)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | CN1C=Nc2n(cnc2C1=N)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN1C=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C1=N |
