Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	38047
Common Name:	Dimethyl sulfoxide
Systematic Name:	methanesulfinylmethane
RefMet Name:	Dimethyl sulfoxide
Synonyms:	[PubChem Synonyms]
Exact Mass:	78.0139 (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:	C2H6OS
InChIKey:	IAZDPXIOMUYVGZ-UHFFFAOYSA-N
ClassyFire superclass:	Organosulfur compounds [C0000004]
ClassyFire class:	Sulfoxides [C0000491]
ClassyFire subclass:	Sulfoxides [C0000491]
ClassyFire direct parent:	Aliphatic acyclic compounds
MoNA MS spectra:	View MS spectra
SMILES:	CS(=O)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	679
CHEBI ID:	28262
HMDB ID:	HMDB0002151
KEGG ID:	C11143
Chemspider ID:	659
METLIN ID:	3985
MetaCyc ID:	DMSO
EPA CompTox DB:	DTXCID401735
Plant Metabolite Hub(Pmhub):	MS000008123

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