Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13302
Common Name:	PC(10:0/10:0)
Systematic Name:	1,2-didecanoyl-sn-glycero-3-phosphocholine
RefMet Name:	PC 10:0/10:0
Synonyms:	3,5,9-Trioxa-4-phosphanonadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxodecyl)oxy]-, inner salt, 4-oxide, (R)-; Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-didecanoin, L-; Decanoin, 1,2-di-, dihydrogen phosphate, monoester with choline hydroxide inner salt, L-; Didecanoyl-L-alpha-glycerophosphorylcholine; Didecanoylglycerophosphocholine; Didecanoyllecithin; Didecanoylphosphatidylcholine; L-alpha-Didecanoylphosphatidylcholine; L-Dicapryllecithin; L-Didecanoyllecithin; L-Didecanoylphosphatidylcholine [PubChem Synonyms]
Exact Mass:	565.3744 (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:	C28H56NO8P
InChIKey:	MLKLDGSYMHFAOC-AREMUKBSSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	16219892
LIPID MAPS ID:	LMGP01010380
CHEBI ID:	78226

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