Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13675
Common Name:	PC(24:1(15Z)/24:1(15Z))
Systematic Name:	1,2-di-(15Z-tetracosenoyl)-sn-glycero-3-phosphocholine
RefMet Name:	PC 24:1(15Z)/24:1(15Z)
Synonyms:	3,5,9-Trioxa-4-phosphatritriacont-24-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-15-tetracosenyl)oxy]-, inner salt, 4-oxide, [R-(Z,Z)]-; Dinervonoyllecithin; L-Dinervonoyl lecithin; PC(24:1/24:1) [PubChem Synonyms]
Exact Mass:	953.7813 (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:	C56H108NO8P
InChIKey:	REWNAIYQZZOESC-CGKZWXATSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
SMILES:	CCCCCCCC/C=CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC/C=CCCCCCCCC
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	6452499
LIPID MAPS ID:	LMGP01011163
CHEBI ID:	184930
HMDB ID:	HMDB0008816
Chemspider ID:	4954931

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