Metabolomics Structure Database

 
MW REGNO: 17628
Common Name:PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name:1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Synonyms:PG(18:0/22:6) [PubChem Synonyms]
Exact Mass:
822.5411 (neutral)    Calculate m/z:
Formula:C46H79O10P
InChIKey:CLQKBJHAUYGCOB-JBZBJAAJSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoglycerols [GP04]
LIPID MAPS subclass:Diacylglycerophosphoglycerols [GP0401]
SMILES:CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:24779554
LIPID MAPS ID:LMGP04010040
CHEBI ID:89279
HMDB ID:HMDB0010614
Chemspider ID:24768113
Plant Metabolite Hub(Pmhub):MS000009165

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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