Summary
| Full name | inosine-5'-monophosphate |
| Short name | pI |
| MODOMICS code | 9551A |
| Nature of the modified residue | Natural |
| Residue unique ID | 217 |
| Found in RNA | Yes |
| Related nucleosides | 113 |
| RCSB ligands |
I
|
Chemical information
| Sum formula | C10H10N4O8P |
| Type of moiety | nucleotide |
| Degeneracy | not aplicable |
| SMILES | O[C@H]1[C@@H](O)[C@H]([n]2c3ncnc(=O)c3nc2)O[C@@H]1COP(=O)([O-])[O-] |
| logP | -1.5586 |
| TPSA | 179.17 |
| Number of atoms | 23 |
| Number of Hydrogen Bond Acceptors 1 (HBA1) | 9 |
| Number of Hydrogen Bond Acceptors 2 (HBA2) | 11 |
| Number of Hydrogen Bond Donors (HBD) | 2 |
| InChI | InChI=1S/C10H12N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H2,18,19,20)/p-2/t4-,6-,7-,10-/m1/s1 |
| InChIKey | GBRQNNWXTJXSJL-KQYNXXCUSA-L |
| 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
LC-MS Information
| Monoisotopic mass | None |
| Average mass | 345.182 |
| [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
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