Metabolomics Structure Database

 
MW REGNO: 37963
Common Name:5'-Deoxyadenosine
Systematic Name:(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-methyloxolane-3,4-diol
RefMet Name:5'-Deoxyadenosine
Synonyms: [PubChem Synonyms]
Exact Mass:
251.1018 (neutral)    Calculate m/z:
Formula:C10H13N5O3
InChIKey:XGYIMTFOTBMPFP-KQYNXXCUSA-N
ClassyFire superclass:Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:5'-deoxyribonucleosides [C0004502]
ClassyFire subclass:5'-deoxyribonucleosides [C0004502]
ClassyFire direct parent:Aromatic heteropolycyclic compounds
Massbank MS spectra:View MS spectra
SMILES:C[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

Human Pathway links:

REACTOME pathways containing this metabolite

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