Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	204307
Common Name:	2',5'-Dideoxyadenosine
Systematic Name:	(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-ol
Synonyms:	[PubChem Synonyms]
Exact Mass:	235.1069 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H13N5O2
InChIKey:	FFHPXOJTVQDVMO-DSYKOEDSSA-N
SMILES:	C[C@@H]1[C@H](C[C@H](n2cnc3c(N)ncnc23)O1)O
Studies:	-

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External database links:

PubChem CID:	65166
CHEBI ID:	195578
Chemspider ID:	58670

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