Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	16375
Common Name:	PE(16:0/0:0)
Systematic Name:	1-hexadecanoyl-sn-glycero-3-phosphoethanolamine
Synonyms:	LPE(16:0/0:0); 16:0 LYSO-PE; 1-palmitoyl-phosphatidylethenolamine; Hexadecanoic acid, 3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (R)-; 1-Palmitoyl-sn-glycerol-3-L-alpha-phosphorylethanolamine; 1-Palmitoyl-sn-glycerophosphatidylethanolamine [PubChem Synonyms]
Exact Mass:	453.2855 (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:	C21H44NO7P
InChIKey:	YVYMBNSKXOXSKW-HXUWFJFHSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphoethanolamines [GP02]
LIPID MAPS subclass:	Monoacylglycerophosphoethanolamines [GP0205]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

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