Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13784
Common Name:	PC(14:1(9Z)/15:0)
Systematic Name:	1-(9Z-tetradecenoyl)-2-pentadecanoyl-glycero-3-phosphocholine
Synonyms:	[PubChem Synonyms]
Exact Mass:	689.4996 (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:	C37H72NO8P
InChIKey:	YKVGKTUIHABLLA-JUOLSMOWSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
SMILES:	CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Studies:	-

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External database links:

PubChem CID:	52922246
LIPID MAPS ID:	LMGP01011382
CHEBI ID:	137275
HMDB ID:	HMDB0007901
Chemspider ID:	24766577

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