Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	15054
Common Name:	PC(O-18:0/0:0)
Systematic Name:	1-octadecyl-sn-glycero-3-phosphocholine
RefMet Name:	LPC O-18:0
Synonyms:	3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)-; 1-O-Octadecyl-sn-glycero-3-phosphocholine; 1-O-Octadecylglycerol-3-phosphatidylcholine; Lyso-platelet-activating factor; Ro 14-8160 [PubChem Synonyms]
Exact Mass:	509.3845 (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:	C26H56NO6P
InChIKey:	XKBJVQHMEXMFDZ-AREMUKBSSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Monoalkylglycerophosphocholines [GP0106]
SMILES:	CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	2733532
LIPID MAPS ID:	LMGP01060014
CHEBI ID:	75216
HMDB ID:	HMDB0011149
KEGG ID:	C04317
Chemspider ID:	2015318
Plant Metabolite Hub(Pmhub):	MS000237730

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