Metabolomics Structure Database

 
MW REGNO: 42713
Common Name:Ethambutol
Systematic Name:(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol
RefMet Name:Ethambutol
Synonyms: [PubChem Synonyms]
Exact Mass:
204.1838 (neutral)    Calculate m/z:
Formula:C10H24N2O2
InChIKey:AEUTYOVWOVBAKS-UWVGGRQHSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:1,2-aminoalcohols [C0001897]
Massbank MS spectra:View MS spectra
SMILES:CC[C@@H](CO)NCCN[C@@H](CC)CO
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

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

  logo