Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43017
Common Name:	Lamivudine
Systematic Name:	4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2-dihydropyrimidin-2-one
RefMet Name:	Lamivudine
Synonyms:	[PubChem Synonyms]
Exact Mass:	229.0521 (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:	C8H11N3O3S
InChIKey:	JTEGQNOMFQHVDC-NKWVEPMBSA-N
ClassyFire superclass:	Nucleosides, nucleotides, and analogues [C0000289]
ClassyFire class:	Nucleoside and nucleotide analogues [C0003737]
ClassyFire subclass:	3'-thia pyrimidine nucleosides [C0003746]
ClassyFire direct parent:	3'-thia pyrimidine nucleosides [C0003746]
MoNA MS spectra:	View MS spectra
SMILES:	c1cn([C@@H]2CS[C@H](CO)O2)c(=O)nc1N
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	60825
CHEBI ID:	63577
HMDB ID:	HMDB0014847
KEGG ID:	C07065
Chemspider ID:	54812
EPA CompTox DB:	DTXCID40209272
Plant Metabolite Hub(Pmhub):	MS000004805

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