a 2-{2-[(2R,5R,6R)-2-hydroxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamido}acetyl-[PedF polyketide synthase]

Properties Image MNX_ID MNXM743978 reference metacycM:PedF-intermediate-1 formula C26H42N4O12PS*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)CNC(=O)C[C@@]1(O)CC(=C)[C@@H](C)[C@@H](C)O1)C([*])=O MNX internals InChI (mnx) InChI=1/C28H49N4O12PS/c1-17-12-28(39,44-20(4)18(17)2)13-23(35)32-14-24(36)46-11-10-30-22(34)8-9-31-26(38)25(37)27(5,6)16-43-45(40,41)42-15-21(29-7)19(3)33/h18,20-21,25,29,37,39H,1,8-16H2,2-7H3,(H,30,34)(H,31,38)(H,32,35)(H,40,41)/t18-,20-,21+,25+,28-/m1/s1/i3+1,7+1 SMILES (mnx) [CH2:1]=[C:17]1[CH2:12][C@@:28]([CH2:13][C:23](=[N:32][CH2:14][C:24](=[O:36])[S:46][CH2:11][CH2:10][N:30]=[C:22]([CH2:8][CH2:9][N:31]=[C:26]([C@@H:25]([C:27]([CH3:5])([CH3:6])[CH2:16][O:43][P:45]([OH:40])(=[O:41])[O:42][CH2:15][C@@H:21]([C:19]([13CH3:3])=[O:33])[NH:29][13CH3:7])[OH:37])[OH:38])[OH:34])[OH:35])([OH:39])[O:44][C@H:20]([CH3:4])[C@@H:18]1[CH3:2]

Parent-child relations graph

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