Metabolomics Structure Database

 
MW REGNO: 30762
Common Name:SM(d16:1/20:1)
Systematic Name:N-(11Z-eicosenoyl)-hexadecasphing-4-enine-1-phosphocholine
Synonyms: [PubChem Synonyms]
Exact Mass:
728.5832 (neutral)    Calculate m/z:
Formula:C41H81N2O6P
InChIKey:YTBRKOHFRDWGKO-XZNYDZQTSA-N
LIPID MAPS Category:Sphingolipids [LMSP]
LIPID MAPS mainclass:Phosphosphingolipids [LMSP03]
LIPID MAPS subclass:Ceramide phosphocholines (sphingomyelins) [LMSP0301]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:52931157
LIPID MAPS ID:LMSP03010048
CHEBI ID:138573

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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