Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	5766
Common Name:	MG(18:0/0:0/0:0)[rac]
Systematic Name:	1-octadecanoyl-rac-glycerol
Synonyms:	[PubChem Synonyms]
Exact Mass:	358.3083 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C21H42O4
InChIKey:	VBICKXHEKHSIBG-UHFFFAOYSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Monoradylglycerols [GL01]
LIPID MAPS subclass:	Monoacylglycerols [GL0101]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	24699
LIPID MAPS ID:	LMGL01010003
CHEBI ID:	75555
HMDB ID:	HMDB0031075
Chemspider ID:	23095
MetaCyc ID:	CPD-16717
Plant Metabolite Hub(Pmhub):	MS000008609

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