Metabolomics Structure Database

 
MW REGNO: 4567
Common Name:N-oleoyl taurine
Systematic Name:N-(9Z-octadecenoyl)-taurine
RefMet Name:NA-Taurine 18:1(9Z)
Synonyms: [PubChem Synonyms]
Exact Mass:
389.2600 (neutral)    Calculate m/z:
Formula:C20H39NO4S
InChIKey:KOGRJTUIKPMZEJ-KTKRTIGZSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty amides [FA08]
LIPID MAPS subclass:N-acyl amines [FA0802]
SMILES:CCCCCCCC/C=CCCCCCCCC(=O)NCCS(=O)(=O)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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