Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	5795
Common Name:	DG(16:0/16:0/0:0)
Systematic Name:	1,2-dihexadecanoyl-sn-glycerol
Synonyms:	DG(16:0/16:0/0:0) [PubChem Synonyms]
Exact Mass:	568.5067 (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:	C35H68O5
InChIKey:	JEJLGIQLPYYGEE-XIFFEERXSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Diradylglycerols [GL02]
LIPID MAPS subclass:	Diacylglycerols [GL0201]
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	644078
LIPID MAPS ID:	LMGL02010009
CHEBI ID:	82929
HMDB ID:	HMDB0007098
KEGG ID:	C00165
Chemspider ID:	559127
METLIN ID:	4255
MetaCyc ID:	CPD66-34
Plant Metabolite Hub(Pmhub):	MS000166503

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