(3E,5S,7R,8R)-5,7,8-trihydroxy-3-(2-methoxy-2-oxoethylidene)nonanoyl-[BryA polyketide synthase]

Properties Image MNX_ID MNXM743798 reference metacycM:Branched-Nonanoyl-BryA-PKS formula C26H43N3O14PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C/C(=C/C(=O)OC)C[C@H](O)C[C@@H](O)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C28H50N3O14PS/c1-17(32)21(29-5)15-44-46(41,42)45-16-28(3,4)26(39)27(40)31-8-7-23(36)30-9-10-47-25(38)13-19(12-24(37)43-6)11-20(34)14-22(35)18(2)33/h12,18,20-22,26,29,33-35,39H,7-11,13-16H2,1-6H3,(H,30,36)(H,31,40)(H,41,42)/b19-12+/t18-,20+,21+,22-,26+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:17]([C@H:21]([CH2:15][O:44][P:46]([OH:41])(=[O:42])[O:45][CH2:16][C:28]([CH3:3])([CH3:4])[C@H:26]([C:27](=[N:31][CH2:8][CH2:7][C:23](=[N:30][CH2:9][CH2:10][S:47][C:25]([CH2:13]/[C:19]([CH2:11][C@@H:20]([CH2:14][C@H:22]([C@@H:18]([CH3:2])[OH:33])[OH:35])[OH:34])=[CH:12]/[C:24](=[O:37])[O:43][CH3:6])=[O:38])[OH:36])[OH:40])[OH:39])[NH:29][13CH3:5])=[O:32]

Parent-child relations graph

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