Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13659
Common Name:	PC(22:0/24:1(15Z))
Systematic Name:	1-docosanoyl-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphocholine
RefMet Name:	PC 22:0/24:1(15Z)
Synonyms:	3,5,8-Trioxa-4-phosphadotriacont-23-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxodocosyl)oxy]methyl]-, inner salt, 4-oxide, [R-(Z)]-; PC(22:0/24:1) [PubChem Synonyms]
Exact Mass:	927.7656 (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:	C54H106NO8P
InChIKey:	YVOMCNAZZLQFGN-BJHYVVJGSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
SMILES:	CCCCCCCC/C=CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Studies:	Available studies (via RefMet name)

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PubChem CID:	24779122
LIPID MAPS ID:	LMGP01011105
CHEBI ID:	184591
HMDB ID:	HMDB0008553
Chemspider ID:	24767213

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