BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Kanamycin

Kanamycin synonyms

Kanamycin A

Wikipedia:

Graphical representations:

Kanamycin image

Molecular Formula: C18 H36 N4 O11

Natural Isotopic Abundance Mass: 484.4986400000

Mono-Isotopic Molecular Masses:

  • C12N14: 484.23805802
  • C13N14: 502.2984451
  • C12N15: 488.226197592
  • C13N15: 506.2865846727

InCHi String:

isomeric SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)N)O)N

canonical SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N

IUPAC: IUPAC systematic
(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxane-3,4,5-triol

IUPAC traditional
(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol

IUPAC cas: IUPAC openeye
(2R,3R,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2R,3S,4R,5R,6S)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-3,4,5-triol

PubChem Substance (SID):   111677732   4946
PubChem Compound (CID):   439581
KEGG: Compound ID   C01822
CAS Registry IDs:   59-01-8
PDB Chemical Component   KAN
Miscellaneous Databases and IDs:   CHEBI 17630

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.