Metabolomics Structure Database

 
MW REGNO: 93716
Common Name:Glucosylglycerol
Systematic Name:1-O-(D-glucosyl)glycerol
RefMet Name:Glucosylglycerol
Synonyms:2,3-dihydroxypropyl D-glucopyranoside [PubChem Synonyms]
Exact Mass:
254.1002 (neutral)    Calculate m/z:
Formula:C9H18O8
InChIKey:NHJUPBDCSOGIKX-QMWFWAMKSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
SMILES:C(C(COC1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:11658901
CHEBI ID:91033

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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