Metabolomics Structure Database

 
MW REGNO: 30656
Common Name:Cer(d18:0/22:0)
Systematic Name:N-(docosanoyl)-sphinganine
RefMet Name:Cer 18:0;O2/22:0
Synonyms:C22DH Cer; N-(docosanoyl)-dihydroceramide; N-(docosanoyl)-dihydroceramide [PubChem Synonyms]
Exact Mass:
623.6216 (neutral)    Calculate m/z:
Formula:C40H81NO3
InChIKey:SXPRAKSDHOEHIG-ZESVVUHVSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Ceramides [SP02]
LIPID MAPS subclass:N-acylsphinganines (dihydroceramides) [SP0202]
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5283575
LIPID MAPS ID:LMSP02020010
CHEBI ID:67021
HMDB ID:HMDB0011765
Chemspider ID:4446688

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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