Metabolomics Structure Database

 
MW REGNO: 37045
Common Name:Adenosine
Systematic Name:(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms: [PubChem Synonyms]
Exact Mass:
267.0968 (neutral)    Calculate m/z:
Formula:C10H13N5O4
InChIKey:OIRDTQYFTABQOQ-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
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:60961
CHEBI ID:16335
HMDB ID:HMDB0000050
KEGG ID:C00212
Chemspider ID:54923
METLIN ID:86
BMRB ID:bmse000996
MetaCyc ID:ADENOSINE
EPA CompTox DB:DTXCID10208873

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

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