Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	21173
Common Name:	PA(16:0/0:0)
Systematic Name:	1-hexadecanoyl-sn-glycero-3-phosphate
Synonyms:	Hexadecanoic acid, 2-hydroxy-3-(phosphonooxy)propyl ester, (R)-; Palmitin, 1-mono-, 3-(dihydrogen phosphate), L-; 1-Palmitoyl-sn-glycerol 3-phosphate; 1-Palmitoyl-sn-glyceryl 3-phosphate [PubChem Synonyms]
Exact Mass:	410.2433 (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:	C19H39O7P
InChIKey:	YNDYKPRNFWPPFU-GOSISDBHSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphates [GP10]
LIPID MAPS subclass:	Monoacylglycerophosphates [GP1005]
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6419701
LIPID MAPS ID:	LMGP10050006
CHEBI ID:	15799
KEGG ID:	C00416
Chemspider ID:	4925335

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