Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	42826
Common Name:	Lenalidomide
Systematic Name:	3-(4-amino-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
Synonyms:	[PubChem Synonyms]
Exact Mass:	259.0957 (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:	C13H13N3O3
InChIKey:	GOTYRUGSSMKFNF-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Isoindoles and derivatives [C0001819]
ClassyFire subclass:	Isoindolines [C0002496]
ClassyFire direct parent:	Isoindolones [C0001820]
MoNA MS spectra:	View MS spectra
SMILES:	c1cc2c(CN(C3CCC(=O)NC3=O)C2=O)c(c1)N
Studies:	-

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	216326
CHEBI ID:	63791
HMDB ID:	HMDB0014623
Chemspider ID:	187515
EPA CompTox DB:	DTXCID6026664
Plant Metabolite Hub(Pmhub):	MS000242100

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