mycinamicin VI

Properties Image MNX_ID MNXM5221 reference chebi:63311 formula C35H58NO11 global charge 1 mol weight 668.845 InChIKey ORPUAOXOPLNKNG-GEUQSOIWSA-O InChI InChI=1S/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/p+1/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1 SMILES CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C35H57NO11/c1-9-27-24(18-43-34-32(42)31(41)29(39)23(6)45-34)12-10-11-13-26(37)20(3)16-21(4)33(19(2)14-15-28(38)46-27)47-35-30(40)25(36(7)8)17-22(5)44-35/h10-15,19-25,27,29-35,39-42H,9,16-18H2,1-8H3/b12-10+,13-11+,15-14+/t19-,20+,21-,22+,23+,24+,25-,27+,29+,30+,31+,32+,33+,34+,35-/m0/s1 SMILES (mnx) [CH3:1][CH2:9][C@@H:27]1[C@@H:24]([CH2:18][O:43][C@H:34]2[C@H:32]([OH:42])[C@H:31]([OH:41])[C@H:29]([OH:39])[C@@H:23]([CH3:6])[O:45]2)/[CH:12]=[CH:10]/[CH:11]=[CH:13]/[C:26](=[O:37])[C@H:20]([CH3:3])[CH2:16][C@H:21]([CH3:4])[C@H:33]([O:47][C@H:35]2[C@H:30]([OH:40])[C@@H:25]([N:36]([CH3:7])[CH3:8])[CH2:17][C@@H:22]([CH3:5])[O:44]2)[C@@H:19]([CH3:2])/[CH:14]=[CH:15]/[C:28](=[O:38])[O:46]1

Parent-child relations graph

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