Metabolomics Structure Database

 
MW REGNO: 88783
Common Name:GalCer(d18:1(4E)/14:0)
Systematic Name:N-(tetradecanoyl)-1-beta-galactosyl-4E-sphingenine
RefMet Name:GalCer 18:1;O2/14:0
Synonyms: [PubChem Synonyms]
Exact Mass:
671.5336 (neutral)    Calculate m/z:
Formula:C38H73NO8
InChIKey:BDGGMKFFYWPIFU-DFHIDUAUSA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Neutral glycosphingolipids [SP05]
LIPID MAPS subclass:Simple Glc series [SP0501]
SMILES:CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)NC(=O)CCCCCCCCCCCCC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145715836
LIPID MAPS ID:LMSP05019E00

Calculated physicochemical properties:

No data available

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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