mycinamicin IV

Properties Image MNX_ID MNXM5220 reference chebi:63310 formula C37H62NO11 global charge 1 mol weight 696.899 InChIKey DBTIHDIIXPQOFR-JMHKOBKLSA-O InChI InChI=1S/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/p+1/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,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]([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](OC)[C@H]1OC MNX internals InChI (mnx) InChI=1/C37H61NO11/c1-11-29-26(20-45-37-35(44-10)34(43-9)31(41)25(6)47-37)14-12-13-15-28(39)22(3)18-23(4)33(21(2)16-17-30(40)48-29)49-36-32(42)27(38(7)8)19-24(5)46-36/h12-17,21-27,29,31-37,41-42H,11,18-20H2,1-10H3/b14-12+,15-13+,17-16+/t21-,22+,23-,24+,25+,26+,27-,29+,31+,32+,33+,34+,35+,36-,37+/m0/s1 SMILES (mnx) [CH3:1][CH2:11][C@@H:29]1[C@@H:26]([CH2:20][O:45][C@H:37]2[C@H:35]([O:44][CH3:10])[C@H:34]([O:43][CH3:9])[C@H:31]([OH:41])[C@@H:25]([CH3:6])[O:47]2)/[CH:14]=[CH:12]/[CH:13]=[CH:15]/[C:28](=[O:39])[C@H:22]([CH3:3])[CH2:18][C@H:23]([CH3:4])[C@H:33]([O:49][C@H:36]2[C@H:32]([OH:42])[C@@H:27]([N:38]([CH3:7])[CH3:8])[CH2:19][C@@H:24]([CH3:5])[O:46]2)[C@@H:21]([CH3:2])/[CH:16]=[CH:17]/[C:30](=[O:40])[O:48]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0