3-hydroxy-3-[(2S,3R)-3-hydroxybutan-2-yl]pentanedioyl-[PedI polyketide synthase]

Properties Image MNX_ID MNXM743982 reference metacycM:PedI-intermediate-2 formula C23H38N3O13PS*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)(CC(=O)[O-])[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C25H46N3O13PS/c1-15(16(2)29)25(37,11-20(32)33)12-21(34)43-10-9-27-19(31)7-8-28-23(36)22(35)24(4,5)14-41-42(38,39)40-13-18(26-6)17(3)30/h15-16,18,22,26,29,35,37H,7-14H2,1-6H3,(H,27,31)(H,28,36)(H,32,33)(H,38,39)/t15-,16+,18-,22-,25?/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@@H:15]([C@@H:16]([CH3:2])[OH:29])[C:25]([CH2:11][C:20](=[O:32])[OH:33])([CH2:12][C:21](=[O:34])[S:43][CH2:10][CH2:9][N:27]=[C:19]([CH2:7][CH2:8][N:28]=[C:23]([C@@H:22]([C:24]([CH3:4])([CH3:5])[CH2:14][O:41][P:42]([OH:38])(=[O:39])[O:40][CH2:13][C@@H:18]([C:17]([13CH3:3])=[O:30])[NH:26][13CH3:6])[OH:35])[OH:36])[OH:31])[OH:37]

Parent-child relations graph

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