Metabolomics Structure Database

 
MW REGNO: 87441
Common Name:Cer(d17:1(4E)/26:0)
Systematic Name:N-(hexacosanoyl)-4E-heptadecasphingenine
RefMet Name:Cer 17:1;O2/26:0
Synonyms: [PubChem Synonyms]
Exact Mass:
663.6529 (neutral)    Calculate m/z:
Formula:C43H85NO3
InChIKey:XBALREGFDLAZHO-PVNBSDFKSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphingosines (ceramides) [SP0201]
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:134777854
LIPID MAPS ID:LMSP02019BBC

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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