Modomics - A Database of RNA Modifications

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

Full name	2'-O-ribosylguanosine (phosphate)-5'-monophosphate
Short name	pGr(p)
MODOMICS code new	2900255551G
MODOMICS code	00551G
Nature of the modified residue	Natural
RNAMods code	ℑ
Residue unique ID	370
Related nucleosides	34

Sum formula	C15H18N5O15P2
Type of moiety	nucleotide
SMILES	Nc1nc(=O)c2c([n]([C@H]3[C@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O4)[C@H](O)[C@@H](COP(=O)([O-])[O-])O3)cn2)n1
logP	-2.1152
TPSA	326.11
Number of atoms	37
Number of Hydrogen Bond Acceptors 1 (HBA1)	15
Number of Hydrogen Bond Acceptors 2 (HBA2)	19
Number of Hydrogen Bond Donors (HBD)	4
InChI	InChI=1S/C15H22N5O15P2/c16-15-18-11-6(12(24)19-15)17-3-20(11)13-10(8(22)5(33-13)2-32-37(28,29)30)35-14-9(23)7(21)4(34-14)1-31-36(25,26)27/h3-5,7-10,13-14,21-23H,1-2H2,(H2,16,18)(H2,25,26,27)(H2,28,29,30)/p-4/t4-,5-,7-,8-,9-,10-,13-,14+/m1/s1
InChIKey	ULXYEEHNNAENMK-MHJQXXNXSA-J
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)

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

Monoisotopic mass	None
Average mass	570.275
[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. 22, 2023