Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	68611
Common Name:	2-Methylaminoadenosine
Systematic Name:	(2R,3R,4S,5R)-2-[6-amino-2-(methylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Synonyms:	C03218; AC1L98D9; CHEMBL1651384; CTK0H7356 [PubChem Synonyms]
Exact Mass:	296.1233 (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:	C11H16N6O4
InChIKey:	UZWXAPMSNDKDNK-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
SMILES:	CNc1nc(c2c(n1)n(cn2)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O)N
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439946
KEGG ID:	C03218
Plant Metabolite Hub(Pmhub):	MS000017848

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