Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67900
Common Name:	Tosyl-L-lysine chloromethyl ketone
Systematic Name:	N-[(1S)-5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-benzenesulfonamide
Synonyms:	Tosyllysyl chloromethyl ketone; CHEMBL466465; alpha-Tosyl-L-lysylchloromethyl ketone; BRN 2885388; N-alpha-Tosyl-L-lysyl-chloromethylketone [PubChem Synonyms]
Exact Mass:	332.0961 (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:	C14H21ClN2O3S
InChIKey:	RDFCSSHDJSZMTQ-ZDUSSCGKSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Toluenes [C0001091]
ClassyFire direct parent:	P-toluenesulfonamides [C0004517]
SMILES:	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl
Studies:	Available studies(via PubChem CID)

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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