Modomics - A Database of RNA Modifications

pm2,2,7G
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,N2,7-trimethylguanosine-5'-monophosphate
Short namepm2,2,7G
MODOMICS code new2000227551G
MODOMICS code227551G
Nature of the modified residueNatural
Residue unique ID441
Related nucleosides111

Chemical information

Sum formulaC13H18N5O8P
Type of moietynucleotide
SMILESCN(c1nc(=O)c2c([n]([C@H]3[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)c[n+]2C)n1)C
logP-2.2398
TPSA173.4
Number of atoms27
Number of Hydrogen Bond Acceptors 1 (HBA1)9
Number of Hydrogen Bond Acceptors 2 (HBA2)11
Number of Hydrogen Bond Donors (HBD)2
InChIInChI=1S/C13H19N5O8P/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(26-12)4-25-27(22,23)24/h5-6,8-9,12,19-20H,4H2,1-3H3,(H-,22,23,24)/p-1/t6-,8-,9-,12-/m1/s1
InChIKeyWUBZWWORDQLTEC-WOUKDFQISA-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]:34.33146517
Energy [Eh]:-1722.90845751788
HOMO [eV]:-7.9751
LUMO [eV]:1.3002
Gap [eV]:9.2753

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 mass403.284
[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