MG1
Summary
| Name: | 2'-DEOXY-1-METHYLGUANOSINE 5'-(DIHYDROGEN PHOSPHATE) |
| Formula: | C11 H16 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 361.248 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2R,3S,5R)-5-(2-amino-1-methyl-6-oxo-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2ncn(c2N=C(N)N1C)C3OC(C(O)C3)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=Nc2n(cnc2C1=O)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)N |
| SMILES | CACTVS | 3.341 | CN1C(=Nc2n(cnc2C1=O)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C(=O)c2c(n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C1N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(=O)c2c(n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N=C1N |
| InChI | InChI | 1.03 | InChI=1S/C11H16N5O7P/c1-15-10(18)8-9(14-11(15)12)16(4-13-8)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,12,14)(H2,19,20,21)/t5-,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | GQIQEQNQLGRCMV-RRKCRQDMSA-N |
