Metabolomics Structure Database

 
MW REGNO: 13381
Common Name:PC(16:0/16:0)
Systematic Name:1,2-dihexadecanoyl-sn-glycero-3-phosphocholine
RefMet Name:PC 16:0/16:0
Synonyms:Dipalmitoyl phosphatidylcholine; Dipalmitoyl-phosphatidylcholine; 1,2-dipalmitoyl-sn-glycero-3-phosphocholine; 1,2-Dipalmitoyl-3-sn-phosphatidylcholine; 1,2-Dipalmitoyl-L-lecithin; DPPC [PubChem Synonyms]
Exact Mass:
733.5622 (neutral)    Calculate m/z:
Formula:C40H80NO8P
InChIKey:KILNVBDSWZSGLL-KXQOOQHDSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphocholines [GP01]
LIPID MAPS subclass:Diacylglycerophosphocholines [GP0101]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CCCCCCCCCCCCCCCC(=O)OC[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:452110
LIPID MAPS ID:LMGP01010564
CHEBI ID:72999
HMDB ID:HMDB0000564
KEGG ID:C00157
Chemspider ID:398235
METLIN ID:5548
MetaCyc ID:1-2-DIPALMITOYLPHOSPHATIDYLCHOLINE
NP-MRD ID(NMR):NP0000429
Plant Metabolite Hub(Pmhub):MS000008831

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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