Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13345
Common Name:	PC(14:0/14:0)
Systematic Name:	1,2-ditetradecanoyl-sn-glycero-3-phosphocholine
RefMet Name:	PC 14:0/14:0
Synonyms:	1,2-dimyristoyl-sn-glycero-3-phosphocholine; Dimyristoyl phosphatidylcholine; 3,5,9-Trioxa-4-phosphatricosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt, 4-oxide, (R)-; Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dimyristin, L-; Choline, phosphate, ester with L-1,2-dimyristin; beta,gamma-Dimyristoyl L-alpha-phosphatidylcholine; 1,2-Bis(myristoyl)-sn-glycerophosphocholine; 1,2-Dimyristoylphosphatidylcholine; 1,2-Dimyristoyl-L-3-phosphatidylcholine [PubChem Synonyms]
Exact Mass:	677.4996 (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:	C36H72NO8P
InChIKey:	CITHEXJVPOWHKC-UUWRZZSWSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
SMILES:	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5459377
LIPID MAPS ID:	LMGP01010477
CHEBI ID:	45240
HMDB ID:	HMDB0007866
Chemspider ID:	4573168
Plant Metabolite Hub(Pmhub):	MS000015303

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