Metabolomics Structure Database

 
MW REGNO: 30578
Common Name:Cer(d18:1/17:0)
Systematic Name:N-(heptadecanoyl)-sphing-4-enine
RefMet Name:Cer 18:1;O2/17:0
Synonyms: [PubChem Synonyms]
Exact Mass:
551.5277 (neutral)    Calculate m/z:
Formula:C35H69NO3
InChIKey:ICWGMOFDULMCFL-QKSCFGQVSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphingosines (ceramides) [SP0201]
Massbank MS spectra:View MS spectra
SMILES:CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:44584335
LIPID MAPS ID:LMSP02010020
CHEBI ID:86513
HMDB ID:HMDB0240678

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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