Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	8971
Common Name:	TG(14:0/14:0/14:0)
Systematic Name:	1,2,3-tritetradecanoyl-sn-glycerol
RefMet Name:	TG 14:0/14:0/14:0
Synonyms:	Trimyristin; 1,2,3-tri-myristoyl-glycerol; 1,2,3-tritetradecanoyl-glycerol [PubChem Synonyms]
Exact Mass:	722.6424 (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:	C45H86O6
InChIKey:	DUXYWXYOBMKGIN-UHFFFAOYSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Triradylglycerols [GL03]
LIPID MAPS subclass:	Triacylglycerols [GL0301]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	11148
LIPID MAPS ID:	LMGL03012616
CHEBI ID:	77391
HMDB ID:	HMDB0042061
Chemspider ID:	10675
Plant Metabolite Hub(Pmhub):	MS000049197

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