Metabolomics Structure Database

 
MW REGNO: 42825
Common Name:Amikacin
Systematic Name:(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide
RefMet Name:Amikacin
Synonyms: [PubChem Synonyms]
Exact Mass:
585.2857 (neutral)    Calculate m/z:
Formula:C22H43N5O13
InChIKey:LKCWBDHBTVXHDL-RMDFUYIESA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Carbohydrates and carbohydrate conjugates [C0000011]
ClassyFire direct parent:4,6-disubstituted 2-deoxystreptamines [C0003574]
Massbank MS spectra:View MS spectra
SMILES:N[C@@H]1C[C@H](NC(=O)[C@H](O)CCN)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](N)[C@@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](CN)[C@H](O)[C@@H](O)[C@@H]1O
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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