Metabolomics Structure Database

 
MW REGNO: 56629
Common Name:(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
Systematic Name:(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol
Synonyms:(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol; SPHINGOSINE [PubChem Synonyms]
Exact Mass:
299.2824 (neutral)    Calculate m/z:
Formula:C18H37NO2
InChIKey:WWUZIQQURGPMPG-BXDGKWANSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:1,2-aminoalcohols [C0001897]
MoNA MS spectra:View MS spectra
SMILES:CCCCCCCCCCCCC/C=C\[C@@H]([C@@H](CO)N)O
Studies:-

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External database links:

PubChem CID:5326412
CHEBI ID:45719

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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