Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	201513
Common Name:	Glycerophospho-N-palmitoyl ethanolamine
Systematic Name:	N-hexadecanoyl-sn-glycero-3-phosphoethanolamine
RefMet Name:	Glycerophospho-N-palmitoyl ethanolamine
Synonyms:	[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:	FIXMIXZULLAMCB-HXUWFJFHSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty amides
LIPID MAPS subclass:	NAE
SMILES:	CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	91666401
CHEBI ID:	143245
Plant Metabolite Hub(Pmhub):	MS000002375

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