Metabolomics Structure Database

 
MW REGNO: 5774
Common Name:MG(0:0/18:1(9Z)/0:0)
Systematic Name:2-(9Z-octadecenoyl)-sn-glycerol
RefMet Name:MG 0:0/18:1(9Z)/0:0
Synonyms:sn-2-monoolein; 2-monoolein; 2-oleoyl-glycerol [PubChem Synonyms]
Exact Mass:
356.2927 (neutral)    Calculate m/z:
Formula:C21H40O4
InChIKey:UPWGQKDVAURUGE-KTKRTIGZSA-N
LIPID MAPS Category:Glycerolipids [GL]
LIPID MAPS mainclass:Monoradylglycerols [GL01]
LIPID MAPS subclass:Monoacylglycerols [GL0101]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5319879
LIPID MAPS ID:LMGL01010024
CHEBI ID:73990
HMDB ID:HMDB0011537
Chemspider ID:4478086
MetaCyc ID:CPD0-1812
Plant Metabolite Hub(Pmhub):MS000063722

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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