Metabolomics Structure Database

 
MW REGNO: 57390
Common Name:2-(2-methylthioethyl)malic acid
Systematic Name:2-hydroxy-2-[2-(methylsulfanyl)ethyl]butanedioic acid
Synonyms:MTEM [PubChem Synonyms]
Exact Mass:
208.0405 (neutral)    Calculate m/z:
Formula:C7H12O5S
InChIKey:FZNWJRXTACKOPU-UHFFFAOYSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
SMILES:CSCCC(CC(=O)O)(C(=O)O)O
Studies:Available studies(via PubChem CID)

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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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