Isepamicin (USAN/INN)

Properties Image MNX_ID MNXM738413 reference keggD:D02545 formula C22H43N5O12 global charge 0 mol weight 569.609 InChIKey UDIIBEDMEYAVNG-ZKFPOVNWSA-N InChI InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1 SMILES CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CN)OC[C@]1(C)O MNX internals InChI (mnx) InChI=1/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1 SMILES (mnx) [CH3:1][C@:22]1([OH:35])[CH2:6][O:36][C@H:20]([O:39][C@H:17]2[C@H:8]([N:27]=[C:19]([C@H:9]([CH2:4][NH2:23])[OH:28])[OH:34])[CH2:3][C@H:7]([NH2:25])[C@@H:16]([O:38][C@@H:21]3[C@H:13]([OH:31])[C@@H:12]([OH:30])[C@H:11]([OH:29])[C@@H:10]([CH2:5][NH2:24])[O:37]3)[C@@H:14]2[OH:32])[C@H:15]([OH:33])[C@H:18]1[NH:26][CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0