Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68305
Common Name:	N6-Methyl-2'-deoxyadenosine
Systematic Name:	(2R,3S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]tetrahydrofuran-3-ol
RefMet Name:	N6-Methyl-2'-deoxyadenosine
Synonyms:	Adenosine, 2'-deoxy-N-methyl-; N6-Me-dAdo; N(6)-Me-Dado; 2'-Deoxy-N6-methylado [PubChem Synonyms]
Exact Mass:	265.1175 (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:	C11H15N5O3
InChIKey:	DYSDOYRQWBDGQQ-XLPZGREQSA-N
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
SMILES:	CNc1c2c(ncn1)n(cn2)[C@H]1C[C@@H]([C@@H](CO)O1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	168948
HMDB ID:	HMDB0255300
KEGG ID:	C03795
Plant Metabolite Hub(Pmhub):	MS000007916

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