Metabolomics Structure Database

 
MW REGNO: 87673
Common Name:Cer(d22:0/16:0)
Systematic Name:N-(hexadecanoyl)-docosasphinganine
RefMet Name:Cer 22:0;O2/16:0
Synonyms: [PubChem Synonyms]
Exact Mass:
595.5903 (neutral)    Calculate m/z:
Formula:C38H77NO3
InChIKey:DHBIHSUCQLJNIG-PQQNNWGCSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphinganines (dihydroceramides) [SP0202]
SMILES:CCCCCCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:134726652
LIPID MAPS ID:LMSP02029AWE

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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