Metabolomics Structure Database

 
MW REGNO: 52827
Common Name:2,3-disulfanylpropane-1-sulfonic acid
Systematic Name:2,3-disulfanylpropane-1-sulfonic acid
Synonyms:(+-)-2,3-dimercapto-1-propanesulfonic acid; 2,3-Dimercapto-1-propanesulfonic acid; 2,3-Dimercaptopropan-1-sulfonsaeure; 2,3-Dimercaptopropane-1-sulfonic acid; DL-2,3-Dimercaptopropane-1-sulfonic acid; DMPS [PubChem Synonyms]
Exact Mass:
187.9636 (neutral)    Calculate m/z:
Formula:C3H8O3S3
InChIKey:JLVSRWOIZZXQAD-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic sulfonic acids and derivatives [C0004434]
ClassyFire subclass:Organosulfonic acids and derivatives [C0000270]
ClassyFire direct parent:Organosulfonic acids [C0001179]
SMILES:C(C(CS(=O)(=O)O)S)S
Studies:-

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External database links:

PubChem CID:6321
CHEBI ID:888
HMDB ID:HMDB0251547
Plant Metabolite Hub(Pmhub):MS000022021

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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