Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	14671
Common Name:	PC(O-16:0/2:0)
Systematic Name:	1-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine
Synonyms:	PAF; Platelet-activating factor; 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)-; 1-O-Hexadecyl-2-acetyl-sn-glyceryl-3-phosphorylcholine; 1-O-Hexadecyl-2-O-acetyl-sn-glycero-3-phosphocholine; 1-O-Hexadecyl-2-O-acetyl-sn-glyceryl-3-phosphorylcholine; 1-O-Hexadecyl-platelet-activating factor; Blood platelet-activating factor; Blood platelet-activating factor acether; C16-PAF; C16-PAF acether; PAF; PAF acether; Platelet-activating factor; Platelet-activating factor acether [PubChem Synonyms]
Exact Mass:	523.3638 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C26H54NO7P
InChIKey:	HVAUUPRFYPCOCA-AREMUKBSSA-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)C
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

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