Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	14991
Common Name:	PC(14:0/0:0)
Systematic Name:	1-tetradecanoyl-sn-glycero-3-phosphocholine
RefMet Name:	LPC 14:0
Synonyms:	3,5,9-Trioxa-4-phosphatricosan-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-monomyristin, L-; Myristin, 1-mono-, 3-(dihydrogen phosphate), monoester with choline hydroxide, inner salt, L-; 1-Myristoyl-L-alpha-phosphorylcholine; 1-Myristoyl-sn-glycero-3-phosphatidylcholine; 1-Myristoyl-sn-glycero-3-phosphocholine; 1-Tetradecanoyl-sn-glycero-3-phosphorylcholine; L-alpha-Myristoyllysophosphatidylcholine; Myristoyl L-alpha-lysolecithin; Myristoyl L-alpha-lysophosphatidylcholine [PubChem Synonyms]
Exact Mass:	467.3012 (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:	C22H46NO7P
InChIKey:	VXUOFDJKYGDUJI-OAQYLSRUSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Monoacylglycerophosphocholines [GP0105]
SMILES:	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	460604
LIPID MAPS ID:	LMGP01050012
CHEBI ID:	64489
HMDB ID:	HMDB0010379
KEGG ID:	C04230
Chemspider ID:	405289
Plant Metabolite Hub(Pmhub):	MS000016461

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