Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13435
Common Name:	PC(16:1(9Z)/16:1(9Z))
Systematic Name:	1,2-di-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine
Synonyms:	3,5,9-Trioxa-4-phosphapentacos-18-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-hexadecenyl)oxy]-, inner salt, 4-oxide, [R-(Z,Z)]-; 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine; 1,2-Dipalmitoleoyl-sn-glycero-3-phosphorylcholine; Dipalmitoleoyl-L-alpha-glycerophosphorylcholine; L-Dipalmitoleoyllecithin; PC(16:1/16:1) [PubChem Synonyms]
Exact Mass:	729.5309 (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:	C40H76NO8P
InChIKey:	GPWHCUUIQMGELX-VHQDNGOZSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
SMILES:	CCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCC
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	24778764
LIPID MAPS ID:	LMGP01010684
CHEBI ID:	83717
HMDB ID:	HMDB0008002
Chemspider ID:	24766671
Plant Metabolite Hub(Pmhub):	MS000015329

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