Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OOHOOOPOHOOOHOHOHOHOH
MW REGNO: 19506
Common Name:PI(22:0/22:1(11Z))
Systematic Name:1-docosanoyl-2-(11Z-docosenoyl)-glycero-3-phospho-(1'-myo-inositol)
Synonyms: [PubChem Synonyms]
Exact Mass:
976.6980 (neutral)    Calculate m/z:
Formula:C53H101O13P
InChIKey:ZENQYWOTRQAEQD-NKJCJTGNSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoinositols [GP06]
LIPID MAPS subclass:Diacylglycerophosphoinositols [GP0601]
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCC/C=CCCCCCCCCCC
Studies:-

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External database links:

PubChem CID:52928144
LIPID MAPS ID:LMGP06010691

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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