Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	15072
Common Name:	PC(P-18:0/0:0)
Systematic Name:	1-(1Z-octadecenyl)-sn-glycero-3-phosphocholine
Synonyms:	3,5,9-Trioxa-4-phosphaheptacos-10-en-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, [R-(Z)]- [PubChem Synonyms]
Exact Mass:	507.3689 (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:	C26H54NO6P
InChIKey:	WBOMIOWRFSPZMC-AYICAFKVSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	1Z-alkenylglycerophosphocholines [GP0107]
SMILES:	CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	24779527
LIPID MAPS ID:	LMGP01070009
CHEBI ID:	133662
HMDB ID:	HMDB0013122
Chemspider ID:	24823061

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