Metabolomics Structure Database

 
MW REGNO: 34345
Common Name:C18 Sulfatide
Systematic Name:(3'-sulfo)Galbeta-Cer(d18:1/18:0)
RefMet Name:SHexCer 18:1;O2/18:0
Synonyms:C18 Sulfatide [PubChem Synonyms]
Exact Mass:
807.5530 (neutral)    Calculate m/z:
Formula:C42H81NO11S
InChIKey:GQQZXRPXBDJABR-BDZNYNMQSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Acidic glycosphingolipids [SP06]
LIPID MAPS subclass:Sulfoglycosphingolipids (sulfatides) [SP0602]
SMILES:CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)OS(=O)(=O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo