Metabolomics Structure Database

 
MW REGNO: 31179
Common Name:GalCer(d18:2/22:0)
Systematic Name:N-(docosanoyl)-1-beta-galactosyl-4E,14Z-sphingadienine
RefMet Name:GalCer 18:2;O2/22:0
Synonyms: [PubChem Synonyms]
Exact Mass:
781.6432 (neutral)    Calculate m/z:
Formula:C46H87NO8
InChIKey:BZVOAOVDSULRAB-NUBHLNQHSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Neutral glycosphingolipids [SP05]
LIPID MAPS subclass:Simple Glc series [SP0501]
SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCC/C=C\CCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:52931285
LIPID MAPS ID:LMSP0501AC22
CHEBI ID:132459

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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