Modomics - A Database of RNA Modifications

pm2,7G
The molecule is shown in a ball-and-stick representation with the following colors for atoms :
⬤ Hydrogen (H): white ⬤ Carbon (C): gray ⬤ Oxygen (O): red ⬤ Phosphorus (P): orange ⬤ Nitrogen (N): blue ⬤ Selenium (Se): gold ⬤ Sulfur (S): yellow
See the molecule on the similarity map

Summary

Full nameN2,7-dimethylguanosine-5'-monophosphate
Short namepm2,7G
MODOMICS code new2000004553N
MODOMICS code27551G
Nature of the modified residueNatural
Residue unique ID440
Related nucleosides4

Chemical information

Sum formulaC12H16N5O8P
Type of moietynucleotide
SMILESCNc1nc(=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
TPSA182.19
Number of atoms26
Number of Hydrogen Bond Acceptors 1 (HBA1)9
Number of Hydrogen Bond Acceptors 2 (HBA2)11
Number of Hydrogen Bond Donors (HBD)3
InChIInChI=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
InChIKeyRYILYDCFUNXPKO-IOSLPCCCSA-M
Search the molecule in external databases ChEMBL  PubChem Compound Database  Ligand Expo  WIPO 

* Chemical properties calculated with Open Babel - O'Boyle et al. Open Babel: An open chemical toolbox. J Cheminform 3, 33 (2011) (link)

QM Data:

Dipole Magnitude [D]:32.373459443
Energy [Eh]:-1683.61377356905
HOMO [eV]:-8.0257
LUMO [eV]:1.2783
Gap [eV]:9.304

Download QM Data:

Charges   charge.txt

Download Structures

2D   .png .mol .mol2 .sdf .pdb .smi
3D   .mol .mol2 .sdf .pdb


LC-MS Information

Monoisotopic massNone
Average mass389.258
[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. 15, 2025