Metabolomics Structure Database

 
MW REGNO: 87376
Common Name:Cer(d16:1(4E)/15:0)
Systematic Name:N-(pentadecanoyl)-4E-hexadecasphingenine
RefMet Name:Cer 16:1;O2/15:0
Synonyms: [PubChem Synonyms]
Exact Mass:
495.4651 (neutral)    Calculate m/z:
Formula:C31H61NO3
InChIKey:WBBVFQJBQUBJKJ-INXZUHKUSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphingosines (ceramides) [SP0201]
SMILES:CCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:134775140
LIPID MAPS ID:LMSP02019AXQ

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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