The Biofilms Structural Database
Name
KANAMYCIN A
Molecular Weight
484.5
Isomeric SMILES
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Formula
C18H36N4O11
Identifiers
(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxane-3,4,5-triol
Formal Charge
0
InChI
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
Atom Count
69
InChIKey
SBUJHOSQTJFQJX-NOAMYHISSA-N
PDB codes
3KP5
Type
NON-POLYMER
Chiral Atom Count
15
Chiral Atoms
C1, C10, C11, C13, C14, C15, C16, C17, C2, C3, C4, C5, C7, C8, C9
Bond Count
71
Aromatic Bond Count
Leaving Atoms
n/a