Metabolomics Structure Database

 
MW REGNO: 92202
Common Name:PI(31:0/31:0)
Systematic Name:1-2-di-hentriacontanoyl-sn-glycero-3-phosphoinositol
RefMet Name:PI 31:0/31:0
Synonyms: [PubChem Synonyms]
Exact Mass:
1230.9953 (neutral)    Calculate m/z:
Formula:C71H139O13P
InChIKey:WKXZSNKUCPAGBO-PMEVOZDCSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoinositols [GP06]
LIPID MAPS subclass:Diacylglycerophosphoinositols [GP0601]
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145719077
LIPID MAPS ID:LMGP06019E2Y

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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