6'''-Deamino-6'''-oxoparomomycin II

Properties Image MNX_ID MNXM97416 reference chebi:190279 formula C23H42N4O15 global charge 0 mol weight 614.602 InChIKey CRRIWJLXIQKIRW-VZXHOKRSSA-N InChI InChI=1S/C23H42N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h3,5-23,28,30-36H,1-2,4,24-27H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 SMILES 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](C=O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C23H42N4O15/c24-5-1-6(25)18(40-21-10(26)15(34)13(32)7(2-28)37-21)20(12(5)31)42-23-17(36)19(9(4-30)39-23)41-22-11(27)16(35)14(33)8(3-29)38-22/h3,5-23,28,30-36H,1-2,4,24-27H2/t5-,6+,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 SMILES (mnx) [CH2:1]1[C@@H:5]([NH2:24])[C@H:12]([OH:31])[C@@H:20]([O:42][C@H:23]2[C@H:17]([OH:36])[C@H:19]([O:41][C@@H:22]3[C@H:11]([NH2:27])[C@@H:16]([OH:35])[C@H:14]([OH:33])[C@@H:8]([CH:3]=[O:29])[O:38]3)[C@@H:9]([CH2:4][OH:30])[O:39]2)[C@H:18]([O:40][C@@H:21]2[C@H:10]([NH2:26])[C@@H:15]([OH:34])[C@H:13]([OH:32])[C@@H:7]([CH2:2][OH:28])[O:37]2)[C@H:6]1[NH2:25]

Parent-child relations graph

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