Metabolomics Structure Database

 
MW REGNO: 18494
Common Name:PG(16:0/18:0)
Systematic Name:1-hexadecanoyl-2-octadecanoyl-glycero-3-phospho-(1'-sn-glycerol)
RefMet Name:PG 16:0/18:0
Synonyms: [PubChem Synonyms]
Exact Mass:
750.5411 (neutral)    Calculate m/z:
Formula:C40H79O10P
InChIKey:KBPVYRBBONZJHF-QPPIDDCLSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoglycerols [GP04]
LIPID MAPS subclass:Diacylglycerophosphoglycerols [GP0401]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:449008
LIPID MAPS ID:LMGP04010907
CHEBI ID:73241
HMDB ID:HMDB0010572
Chemspider ID:395645
Plant Metabolite Hub(Pmhub):MS000015432

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

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