Summary
| Full name | N2,7-dimethylguanosine-5'-monophosphate |
| Short name | pm2,7G |
| MODOMICS code | 27551G |
| Nature of the modified residue | Natural |
| Residue unique ID | 440 |
| Related nucleosides | 4 |
| RCSB ligands |
Chemical information
| Sum formula | C12H16N5O8P |
| Type of moiety | nucleotide |
| SMILES | CNc1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c[n+]2C)n1 |
| logP | -2.1911 |
| TPSA | 182.19 |
| Number of atoms | 26 |
| Number of Hydrogen Bond Acceptors 1 (HBA1) | 9 |
| Number of Hydrogen Bond Acceptors 2 (HBA2) | 11 |
| Number of Hydrogen Bond Donors (HBD) | 3 |
| InChI | InChI=1S/C12H17N5O8P/c1-13-12-14-9-6(10(20)15-12)16(2)4-17(9)11-8(19)7(18)5(25-11)3-24-26(21,22)23/h4-5,7-8,11,18-19H,3H2,1-2H3,(H2-,13,14,20,21,22,23)/p-1/t5-,7-,8-,11-/m1/s1 |
| InChIKey | RYILYDCFUNXPKO-IOSLPCCCSA-M |
| Search the molecule in external databases | ChEMBL ChemAgora ChEBI PubChem Compound Database Ligand Expo ChemSpider WIPO |
* Chemical properties calculated with Open Babel - O'Boyle et al. Open Babel: An open chemical toolbox. J Cheminform 3, 33 (2011) (link)
Download Structures
| 2D | .png .mol .mol2 .sdf .pdb .smi |
| 3D | .mol .mol2 .sdf .pdb |
LC-MS Information
| Monoisotopic mass | None |
| Average mass | 389.258 |
| [M+H]+ | not available |
| Product ions | not available |
| Normalized LC elution time * | not available |
| LC elution order/characteristics | not available |
* normalized to guanosine (G), measured with a RP C-18 column with acetonitrile/ammonium acetate as mobile phase.
Last modification of this entry: Sept. 29, 2021