Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	5792
Common Name:	DG(16:0/18:1(9Z)/0:0)
Systematic Name:	1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol
Synonyms:	DG(16:0/18:1/0:0) [PubChem Synonyms]
Exact Mass:	594.5223 (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:	C37H70O5
InChIKey:	YEJYLHKQOBOSCP-OZKTZCCCSA-N
LIPID MAPS Category:	Glycerolipids [GL]
LIPID MAPS mainclass:	Diradylglycerols [GL02]
LIPID MAPS subclass:	Diacylglycerols [GL0201]
SMILES:	CCCCCCCC/C=CCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5282283
LIPID MAPS ID:	LMGL02010006
CHEBI ID:	75466
HMDB ID:	HMDB0007102
KEGG ID:	C13861
Chemspider ID:	4445454
METLIN ID:	4260
Plant Metabolite Hub(Pmhub):	MS000023429

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