2'''-N-Acetyl-6'''-deamino-6'''-hydroxyparomomycin II

Properties Image MNX_ID MNXM97376 reference chebi:190268 formula C25H46N4O16 global charge 0 mol weight 658.655 InChIKey BTGHERUFBGVQJR-KVQCZYKRSA-N InChI InChI=1S/C25H46N4O16/c1-6(33)29-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(26)2-8(27)20(22)43-23-12(28)17(37)15(35)9(3-30)40-23/h7-25,30-32,34-39H,2-5,26-28H2,1H3,(H,29,33)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C25H46N4O16/c1-6(33)29-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(26)2-8(27)20(22)43-23-12(28)17(37)15(35)9(3-30)40-23/h7-25,30-32,34-39H,2-5,26-28H2,1H3,(H,29,33)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1 SMILES (mnx) [CH3:1][C:6](=[N:29][C@@H:13]1[C@@H:18]([OH:38])[C@H:16]([OH:36])[C@@H:10]([CH2:4][OH:31])[O:41][C@@H:24]1[O:44][C@@H:21]1[C@@H:11]([CH2:5][OH:32])[O:42][C@@H:25]([O:45][C@@H:22]2[C@@H:14]([OH:34])[C@H:7]([NH2:26])[CH2:2][C@H:8]([NH2:27])[C@H:20]2[O:43][C@@H:23]2[C@H:12]([NH2:28])[C@@H:17]([OH:37])[C@H:15]([OH:35])[C@@H:9]([CH2:3][OH:30])[O:40]2)[C@@H:19]1[OH:39])[OH:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0