Metabolomics Structure Database

MW REGNO: 37076
Common Name:Deoxyadenosine
Systematic Name:(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
RefMet Name:Deoxyadenosine
Synonyms: [PubChem Synonyms]
Exact Mass:
251.1018 (neutral)    Calculate m/z:
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:Purine nucleosides [C0000479]
ClassyFire subclass:Purine 2'-deoxyribonucleosides [C0002177]
ClassyFire direct parent:Purine 2'-deoxyribonucleosides [C0002177]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:13730
CHEBI ID:17256
KEGG ID:C00559
Chemspider ID:13135
NP-MRD ID(NMR):NP0000617
Marine Natural Products DB:CMNPD975
Plant Metabolite Hub(Pmhub):MS000000142

Calculated physicochemical properties (?):

Heavy Atoms: 18  
Rings: 3  
Aromatic Rings: 2  
Rotatable Bonds: 2  
van der Waals Molecular volume: 193.49 Å3 molecule-1  
Toplogical Polar Sufrace Area: 121.38 Å2 molecule-1  
Hydrogen Bond Donors: 3  
Hydrogen Bond Acceptors: 7  
logP: -0.09  
Molar Refractivity: 62.87  
Fraction sp3 Carbons: 0.50  
sp3 Carbons: 5  

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

REACTOME pathways containing this metabolite


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