Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	14990
Common Name:	PC(12:0/0:0)
Systematic Name:	1-dodecanoyl-sn-glycero-3-phosphocholine
Synonyms:	3,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-; Choline, hydroxide, dihydrogen phosphate, inner salt, 3-ester with 1-monolaurin, L-; Laurin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-; 1-Dodecanoyl-sn-glycerol-3-phosphorylcholine; 1-Dodecanoyllysolecithin; 1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine; 1-Lauroyl-L-alpha-phosphorylcholine [PubChem Synonyms]
Exact Mass:	439.2699 (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:	C20H42NO7P
InChIKey:	BWKILASWCLJPBO-LJQANCHMSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Monoacylglycerophosphocholines [GP0105]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	460605
LIPID MAPS ID:	LMGP01050009
CHEBI ID:	74966
HMDB ID:	HMDB0240697

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