Metabolomics Structure Database

 
MW REGNO: 87651
Common Name:Cer(d21:1(4E)/24:0)
Systematic Name:N-(tetracosanoyl)-4E-heneicosasphingenine
RefMet Name:Cer 21:1;O2/24:0
Synonyms: [PubChem Synonyms]
Exact Mass:
691.6842 (neutral)    Calculate m/z:
Formula:C45H89NO3
InChIKey:JXNOAHBPZPUBDQ-JVXAVJMUSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphingosines (ceramides) [SP0201]
SMILES:CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:134742712
LIPID MAPS ID:LMSP02019CCP

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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