Metabolomics Structure Database

 
MW REGNO: 16197
Common Name:PE(O-16:0/21:0)
Systematic Name:1-hexadecyl-2-heneicosanoyl-glycero-3-phosphoethanolamine
RefMet Name:PE O-16:0/21:0
Synonyms: [PubChem Synonyms]
Exact Mass:
747.6142 (neutral)    Calculate m/z:
Formula:C42H86NO7P
InChIKey:SMCIMIVDFKOLFQ-VQJSHJPSSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoethanolamines [GP02]
LIPID MAPS subclass:1-alkyl,2-acylglycerophosphoethanolamines [GP0202]
SMILES:CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:52924969
LIPID MAPS ID:LMGP02020034

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

  logo