Metabolomics Structure Database

 
MW REGNO: 14660
Common Name:PC(O-14:0/22:0)
Systematic Name:1-tetradecyl-2-docosanoyl-sn-glycero-3-phosphocholine
RefMet Name:PC O-14:0/22:0
Synonyms:3,5,8-Trioxa-4-phosphatriacontan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(tetradecyloxy)methyl]-, inner salt, 4-oxide, (R)- [PubChem Synonyms]
Exact Mass:
775.6455 (neutral)    Calculate m/z:
Formula:C44H90NO7P
InChIKey:KRRFXAFWBWXGHS-VZUYHUTRSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphocholines [GP01]
LIPID MAPS subclass:1-alkyl,2-acylglycerophosphocholines [GP0102]
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:24779285
LIPID MAPS ID:LMGP01020023

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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