gentamicin X2

Properties Image MNX_ID MNXM54877 reference chebi:195255 formula C19H42N4O10 global charge 4 mol weight 486.563 InChIKey HFLKNINDVFJPQT-ZFAMMYHGSA-R InChI InChI=1S/C19H38N4O10/c1-19(29)5-30-18(13(28)16(19)23-2)33-15-7(21)3-6(20)14(12(15)27)32-17-9(22)11(26)10(25)8(4-24)31-17/h6-18,23-29H,3-5,20-22H2,1-2H3/p+4/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1 SMILES C[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O MNX internals InChI (mnx) InChI=1/C19H38N4O10/c1-19(29)5-30-18(13(28)16(19)23-2)33-15-7(21)3-6(20)14(12(15)27)32-17-9(22)11(26)10(25)8(4-24)31-17/h6-18,23-29H,3-5,20-22H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1 SMILES (mnx) [CH3:1][C@:19]1([OH:29])[CH2:5][O:30][C@H:18]([O:33][C@H:15]2[C@H:7]([NH2:21])[CH2:3][C@H:6]([NH2:20])[C@@H:14]([O:32][C@@H:17]3[C@H:9]([NH2:22])[C@@H:11]([OH:26])[C@H:10]([OH:25])[C@@H:8]([CH2:4][OH:24])[O:31]3)[C@@H:12]2[OH:27])[C@H:13]([OH:28])[C@H:16]1[NH:23][CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 11 in models (compartimentalized) 0