Metabolomics Structure Database

 
MW REGNO: 90840
Common Name:PA(O-22:0/14:0)
Systematic Name:1-docosyl-2-tetradecanoyl-sn-glycero-3-phosphate
RefMet Name:PA O-22:0/14:0
Synonyms: [PubChem Synonyms]
Exact Mass:
690.5563 (neutral)    Calculate m/z:
Formula:C39H79O7P
InChIKey:PTZZNWBZVWGMNV-KXQOOQHDSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphates [GP10]
LIPID MAPS subclass:1-alkyl,2-acylglycerophosphates [GP1002]
SMILES:CCCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145717729
LIPID MAPS ID:LMGP10029A4D

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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