Metabolomics Structure Database

 
MW REGNO: 34360
Common Name:Psychosine sulfate
Systematic Name:(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate)
RefMet Name:Psychosine sulfate
Synonyms:(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 6-O-sulfo-beta-D-galactopyranoside; Psychosine sulfate; psychosine sulfate [PubChem Synonyms]
Exact Mass:
541.2921 (neutral)    Calculate m/z:
Formula:C24H47NO10S
InChIKey:UIEYIJKBVSNMMH-PIIMIWFASA-N
LIPID MAPS Category:Sphingolipids [SP]
LIPID MAPS mainclass:Amphoteric glycosphingolipids [SP08]
SMILES:CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@@H](COS(=O)(=O)O)O1)O)O)O)N)O
Studies:Available studies (via RefMet name)

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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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