Metabolomics Structure Database

 
MW REGNO: 156943
Common Name:C22 Sphingosine
Systematic Name:(E,2S,3R)-2-Aminodocos-4-ene-1,3-diol
RefMet Name:C22 Sphingosine
Synonyms:SPB 22:1; O2 [PubChem Synonyms]
Exact Mass:
355.3450 (neutral)    Calculate m/z:
Formula:C22H45NO2
InChIKey:BSHKJMWKIAPLFB-ICWQGCNBSA-N
SMILES:CCCCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:136212562

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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