(4S,5R)-5-hydroxy-4-methyl-3-oxohexanoyl-[PedI polyketide synthase]

Properties Image MNX_ID MNXM743981 reference metacycM:PedI-intermediate-1 formula C21H35N3O11PS*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)CC(=O)[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C23H42N3O11PS/c1-14(15(2)27)18(29)11-20(31)39-10-9-25-19(30)7-8-26-22(33)21(32)23(4,5)13-37-38(34,35)36-12-17(24-6)16(3)28/h14-15,17,21,24,27,32H,7-13H2,1-6H3,(H,25,30)(H,26,33)(H,34,35)/t14-,15+,17-,21-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@@H:14]([C@@H:15]([CH3:2])[OH:27])[C:18]([CH2:11][C:20](=[O:31])[S:39][CH2:10][CH2:9][N:25]=[C:19]([CH2:7][CH2:8][N:26]=[C:22]([C@@H:21]([C:23]([CH3:4])([CH3:5])[CH2:13][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:12][C@@H:17]([C:16]([13CH3:3])=[O:28])[NH:24][13CH3:6])[OH:32])[OH:33])[OH:30])=[O:29]

Parent-child relations graph

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