Metabolomics Structure Database

 
MW REGNO: 13545
Common Name:PC(18:1(9Z)/18:1(9Z))
Systematic Name:1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine
Synonyms:Dioleoyl phosphatidylcholine; 3,5,9-Trioxa-4-phosphaheptacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-, inner salt, 4-oxide, [R-(Z,Z)]-; Choline phosphate, 3-ester with L-1,2-diolein; Choline, hydroxide, dihydrogen phosphate, inner salt, ester with L-1,2-diolein; Olein, 1,2-di-, L-, dihydrogen phosphate, monoester with choline hydroxide; 1,2-Dioleoyl-L-alpha-lecithin; 1,2-dioleoyl-sn-glycero-3-phosphocholine; PC(18:1/18:1) [PubChem Synonyms]
Exact Mass:
785.5935 (neutral)    Calculate m/z:
Formula:C44H84NO8P
InChIKey:SNKAWJBJQDLSFF-NVKMUCNASA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphocholines [GP01]
LIPID MAPS subclass:Diacylglycerophosphocholines [GP0101]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
Studies:Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:10350317
LIPID MAPS ID:LMGP01010890
CHEBI ID:74669
HMDB ID:HMDB0000593
Plant Metabolite Hub(Pmhub):MS000015350

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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