Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	20029
Common Name:	PA(16:0/16:0)
Systematic Name:	1,2-dihexadecanoyl-sn-glycero-3-phosphate
RefMet Name:	PA 16:0/16:0
Synonyms:	Dipalmitoyl phosphatidic acid; Hexadecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-; Palmitin, 1,2-di-, dihydrogen phosphate, L-; 1,2-Dipalmitoyl-3-sn-phosphatidic acid; 1,2-Dipalmitoyl-sn-glycerol 3-phosphate; 1,2-Dipalmitoyl-sn-glycerol-3-phosphoric acid; Dipalmitoyl [PubChem Synonyms]
Exact Mass:	648.4730 (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:	C35H69O8P
InChIKey:	PORPENFLTBBHSG-MGBGTMOVSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphates [GP10]
LIPID MAPS subclass:	Diacylglycerophosphates [GP1001]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	446066
LIPID MAPS ID:	LMGP10010027
CHEBI ID:	73246
HMDB ID:	HMDB0000674
KEGG ID:	C00416
Chemspider ID:	393518
METLIN ID:	5644
NP-MRD ID(NMR):	NP0001327
Plant Metabolite Hub(Pmhub):	MS000008465

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