Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	15069
Common Name:	PC(P-16:0/0:0)
Systematic Name:	1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholine
Synonyms:	3,5,9-Trioxa-4-phosphapentacos-10-en-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, [R-(Z)]-; LPlasCho; Lysoplasmenylcholine [PubChem Synonyms]
Exact Mass:	479.3376 (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:	C24H50NO6P
InChIKey:	HTZINLFNXLXRBC-CQLBIITFSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	1Z-alkenylglycerophosphocholines [GP0107]
SMILES:	CCCCCCCCCCCCCC/C=COC[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:	10917802
LIPID MAPS ID:	LMGP01070006
CHEBI ID:	73850
HMDB ID:	HMDB0010407
Chemspider ID:	9093054

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