Mycinamicin V

Properties Image MNX_ID MNXM62690 reference chebi:220101 formula C37H61NO12 global charge 0 mol weight 711.89 InChIKey YZYNKVRRUWKKRX-JGPZLTFNSA-N InChI InChI=1S/C37H61NO12/c1-11-28-37(43,20-46-36-34(45-10)33(44-9)30(41)25(6)48-36)17-13-12-14-27(39)22(3)18-23(4)32(21(2)15-16-29(40)49-28)50-35-31(42)26(38(7)8)19-24(5)47-35/h12-17,21-26,28,30-36,41-43H,11,18-20H2,1-10H3/b14-12+,16-15+,17-13+/t21-,22+,23-,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+,37-/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](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@]1(O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC MNX internals InChI (mnx) InChI=1/C37H61NO12/c1-11-28-37(43,20-46-36-34(45-10)33(44-9)30(41)25(6)48-36)17-13-12-14-27(39)22(3)18-23(4)32(21(2)15-16-29(40)49-28)50-35-31(42)26(38(7)8)19-24(5)47-35/h12-17,21-26,28,30-36,41-43H,11,18-20H2,1-10H3/b14-12+,16-15+,17-13+/t21-,22+,23-,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+,37-/m0/s1 SMILES (mnx) [CH3:1][CH2:11][C@@H:28]1[C@:37]([CH2:20][O:46][C@H:36]2[C@H:34]([O:45][CH3:10])[C@H:33]([O:44][CH3:9])[C@H:30]([OH:41])[C@@H:25]([CH3:6])[O:48]2)([OH:43])/[CH:17]=[CH:13]/[CH:12]=[CH:14]/[C:27](=[O:39])[C@H:22]([CH3:3])[CH2:18][C@H:23]([CH3:4])[C@H:32]([O:50][C@H:35]2[C@H:31]([OH:42])[C@@H:26]([N:38]([CH3:7])[CH3:8])[CH2:19][C@@H:24]([CH3:5])[O:47]2)[C@@H:21]([CH3:2])/[CH:15]=[CH:16]/[C:29](=[O:40])[O:49]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0