Metabolomics Structure Database

 
MW REGNO: 15221
Common Name:PE(22:0/22:0)
Systematic Name:1,2-didocosanoyl-sn-glycero-3-phosphoethanolamine
RefMet Name:PE 22:0/22:0
Synonyms:Docosanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)- [PubChem Synonyms]
Exact Mass:
859.7030 (neutral)    Calculate m/z:
Formula:C49H98NO8P
InChIKey:TZFNCLDMKUFURD-QZNUWAOFSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoethanolamines [GP02]
LIPID MAPS subclass:Diacylglycerophosphoethanolamines [GP0201]
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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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

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