Metabolomics Structure Database

 
MW REGNO: 67126
Common Name:7-methylguanosine
Systematic Name:2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-purin-9-ium-6-olate
RefMet Name:7-Methylguanosine
Synonyms: [PubChem Synonyms]
Exact Mass:
297.1073 (neutral)    Calculate m/z:
Formula:C11H15N5O5
InChIKey:OGHAROSJZRTIOK-KQYNXXCUSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleosides [C0000479]
ClassyFire subclass:Purine nucleosides [C0000479]
ClassyFire direct parent:Aromatic heteropolycyclic compounds
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:Cn1c[n+](c2c1c(nc(N)n2)[O-])[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6474236
CHEBI ID:20794
HMDB ID:HMDB0001107
NP-MRD ID(NMR):NP0000848
Plant Metabolite Hub(Pmhub):MS000008033

Calculated physicochemical properties (?):

Heavy Atoms: 21  
Rings: 3  
Aromatic Rings: 2  
Rotatable Bonds: 2  
van der Waals Molecular volume: 228.37 Å3 molecule-1  
Toplogical Polar Sufrace Area: 155.66 Å2 molecule-1  
Hydrogen Bond Donors: 4  
Hydrogen Bond Acceptors: 9  
logP: -0.62  
Molar Refractivity: 70.42  
Fraction sp3 Carbons: 0.55  
sp3 Carbons: 6  

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

  logo