Metabolomics Structure Database

 
MW REGNO: 87529
Common Name:Cer(d19:1(4E)/16:0)
Systematic Name:N-(hexadecanoyl)-4E-nonadecasphingenine
RefMet Name:Cer 19:1;O2/16:0
Synonyms: [PubChem Synonyms]
Exact Mass:
551.5277 (neutral)    Calculate m/z:
Formula:C35H69NO3
InChIKey:FZEKPDCSIPDAMC-QKSCFGQVSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphingosines (ceramides) [SP0201]
SMILES:CCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:10578618
LIPID MAPS ID:LMSP02019BTL
Marine Natural Products DB:CMNPD12141

Calculated physicochemical properties:

No data available

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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