Metabolomics Structure Database

 
MW REGNO: 87589
Common Name:Cer(d20:1(4E)/22:0)
Systematic Name:N-(docosanoyl)-4E-eicosasphingenine
RefMet Name:Cer 20:1;O2/22:0
Synonyms: [PubChem Synonyms]
Exact Mass:
649.6373 (neutral)    Calculate m/z:
Formula:C42H83NO3
InChIKey:ZKJAQPFDEVZZSD-AUTSUKAISA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphingosines (ceramides) [SP0201]
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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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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