Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	5772
Common Name:	MG(16:0/0:0/0:0)
Systematic Name:	1-hexadecanoyl-sn-glycerol
Synonyms:	MG(16:0/0:0/0:0) [PubChem Synonyms]
Exact Mass:	330.2770 (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:	C19H38O4
InChIKey:	QHZLMUACJMDIAE-SFHVURJKSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Monoradylglycerols [GL01]
LIPID MAPS subclass:	Monoacylglycerols [GL0101]
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	3084463
LIPID MAPS ID:	LMGL01010009
CHEBI ID:	75542
HMDB ID:	HMDB0011564
Chemspider ID:	2341519
Plant Metabolite Hub(Pmhub):	MS000000351

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