Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	43130
Common Name:	Levamisole
Systematic Name:	(6S)-6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole
RefMet Name:	Levamisole
Synonyms:	[PubChem Synonyms]
Exact Mass:	204.0721 (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:	C11H12N2S
InChIKey:	HLFSDGLLUJUHTE-SNVBAGLBSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Imidazothiazoles [C0000756]
ClassyFire subclass:	Imidazothiazoles [C0000756]
ClassyFire direct parent:	Aromatic heteropolycyclic compounds
MoNA MS spectra:	View MS spectra
SMILES:	c1ccc(cc1)[C@H]1CN2CCSC2=N1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	26879
CHEBI ID:	484948
HMDB ID:	HMDB0014986
KEGG ID:	C07070
Chemspider ID:	25037
EPA CompTox DB:	DTXCID40197221
Plant Metabolite Hub(Pmhub):	MS000000737

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