Metabolomics Structure Database

 
MW REGNO: 50922
Common Name:Dithioerythritol
Systematic Name:(2R,3S)-1,4-disulfanylbutane-2,3-diol
RefMet Name:Dithioerythritol
Synonyms:(2R*,3S*)-1,4-dimercapto-2,3-butanediol; (2R*,3S*)-1,4-dimercaptobutane-2,3-diol; (2R,3S)-1,4-dimercaptobutane-2,3-diol; 1,4-dithioerythritol; dithioerythritol [PubChem Synonyms]
Exact Mass:
154.0122 (neutral)    Calculate m/z:
Formula:C4H10O2S2
InChIKey:VHJLVAABSRFDPM-ZXZARUISSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Alcohols and polyols [C0000129]
ClassyFire direct parent:1,2-diols [C0002467]
MoNA MS spectra:View MS spectra
SMILES:C([C@@H]([C@@H](CS)O)O)S
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439352
CHEBI ID:17456
HMDB ID:HMDB0251493
MetaCyc ID:DITHIOERYTHRITOL

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

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