9-O-adenylylspectinomycin

Properties Image MNX_ID MNXM1105069 reference chebi:146261 formula C24H36N7O13P global charge 0 mol weight 661.562 InChIKey YWELMMKQVLJFMW-QEYXCPIGSA-N InChI InChI=1S/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1 SMILES CN[C@H]1[C@@H](O)[C@@H]([NH2+]C)[C@H](OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12 MNX internals InChI (mnx) InChI=1/C24H36N7O13P/c1-8-4-10(32)24(36)23(40-8)42-19-17(43-24)11(26-2)15(34)12(27-3)18(19)44-45(37,38)39-5-9-14(33)16(35)22(41-9)31-7-30-13-20(25)28-6-29-21(13)31/h6-9,11-12,14-19,22-23,26-27,33-36H,4-5H2,1-3H3,(H,37,38)(H2,25,28,29)/t8-,9-,11+,12-,14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1 SMILES (mnx) [CH3:1][C@@H:8]1[CH2:4][C:10](=[O:32])[C@@:24]2([OH:36])[C@@H:23]([O:40]1)[O:42][C@H:19]1[C@@H:17]([C@@H:11]([NH:26][CH3:2])[C@@H:15]([OH:34])[C@@H:12]([NH:27][CH3:3])[C@@H:18]1[O:44][P:45]([OH:37])(=[O:38])[O:39][CH2:5][C@@H:9]1[C@@H:14]([OH:33])[C@@H:16]([OH:35])[C@H:22]([N:31]3[CH:7]=[N:30][C:13]4=[C:20]([NH2:25])[N:28]=[CH:6][N:29]=[C:21]43)[O:41]1)[O:43]2

Parent-child relations graph

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