Metabolomics Structure Database

 
MW REGNO: 14664
Common Name:PC(O-16:0/16:0)
Systematic Name:1-hexadecyl-2-hexadecanoyl-sn-glycero-3-phosphocholine
RefMet Name:PC O-16:0/16:0
Synonyms:3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (R)- [PubChem Synonyms]
Exact Mass:
719.5829 (neutral)    Calculate m/z:
Formula:C40H82NO7P
InChIKey:WOTHHEHCEYHCFE-LDLOPFEMSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphocholines [GP01]
LIPID MAPS subclass:1-alkyl,2-acylglycerophosphocholines [GP0102]
SMILES:CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145911
LIPID MAPS ID:LMGP01020029
CHEBI ID:72744

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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