M7M
Summary
| Name: | N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) |
| Formula: | C13 H23 N5 O11 P2 |
| Formal charge: | 0 |
| Formula weight: | 487.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4R,5R)-5-[2-(dimethylamino)-7-methyl-6-oxo-3,8-dihydropurin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(O)OCC3OC(N1C2=C(N(C1)C)C(=O)N=C(N(C)C)N2)C(O)C3O |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O |
| SMILES | CACTVS | 3.370 | CN(C)C1=NC(=O)C2=C(N1)N(CN2C)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1CN(C2=C1C(=O)N=C(N2)N(C)C)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | DHQQIEJARUGVNZ-WOUKDFQISA-N |
