N(6')-acetylkanamycin B

Properties Image MNX_ID MNXM4683 reference chebi:58390 formula C20H43N5O11 global charge 4 mol weight 529.588 InChIKey JVNRAWAXQAGKBK-HLIGCJFYSA-R InChI InChI=1S/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/p+4/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1 SMILES CC(=O)NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)/t6-,7+,8+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+/m0/s1 SMILES (mnx) [CH3:1][C:5](=[N:25][CH2:3][C@@H:8]1[C@@H:13]([OH:29])[C@H:14]([OH:30])[C@@H:11]([NH2:24])[C@@H:19]([O:35][C@@H:17]2[C@@H:6]([NH2:21])[CH2:2][C@@H:7]([NH2:22])[C@H:18]([O:36][C@@H:20]3[C@H:15]([OH:31])[C@@H:10]([NH2:23])[C@H:12]([OH:28])[C@@H:9]([CH2:4][OH:26])[O:34]3)[C@H:16]2[OH:32])[O:33]1)[OH:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1