Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	58276
Common Name:	Maneb
Systematic Name:	[{2-[(sulfanylcarbothioyl)amino]ethyl}carbamodithioato(2-)-kappa(2)S,S']manganese
Synonyms:	manganese ethane-1,2-diyldicarbamodithioate [PubChem Synonyms]
Exact Mass:	264.8794 (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:	C4H6MnN2S4
InChIKey:	YKSNLCVSTHTHJA-UHFFFAOYSA-L
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Dithiocarbamic acids and derivatives [C0003934]
ClassyFire subclass:	Dithiocarbamic acid esters [C0003936]
ClassyFire direct parent:	Ethylene bisdithiocarbamates [C0004177]
SMILES:	C(CNC(=S)[S-])NC(=S)[S-].[Mn+2]
Studies:	-

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External database links:

PubChem CID:	3032581
CHEBI ID:	52497
HMDB ID:	HMDB0303500
EPA CompTox DB:	DTXCID3023972

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