Metabolomics Structure Database

 
MW REGNO: 71630
Common Name:Lactitol
Systematic Name:(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentol
Synonyms: [PubChem Synonyms]
Exact Mass:
344.1320 (neutral)    Calculate m/z:
Formula:C12H24O11
InChIKey:VQHSOMBJVWLPSR-JVCRWLNRSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:157355
MetaCyc ID:CPD0-2460
EPA CompTox DB:DTXCID10197197

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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