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

Properties Image MNX_ID MNXM743984 reference metacycM:PedI-intermediate-4 formula C22H37N3O10PS*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(=C)[C@@H](C)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C24H44N3O10PS/c1-15(16(2)17(3)28)12-21(31)39-11-10-26-20(30)8-9-27-23(33)22(32)24(5,6)14-37-38(34,35)36-13-19(25-7)18(4)29/h16-17,19,22,25,28,32H,1,8-14H2,2-7H3,(H,26,30)(H,27,33)(H,34,35)/t16-,17-,19+,22+/m1/s1/i4+1,7+1 SMILES (mnx) [CH2:1]=[C:15]([CH2:12][C:21](=[O:31])[S:39][CH2:11][CH2:10][N:26]=[C:20]([CH2:8][CH2:9][N:27]=[C:23]([C@@H:22]([C:24]([CH3:5])([CH3:6])[CH2:14][O:37][P:38]([OH:34])(=[O:35])[O:36][CH2:13][C@@H:19]([C:18]([13CH3:4])=[O:29])[NH:25][13CH3:7])[OH:32])[OH:33])[OH:30])[C@@H:16]([CH3:2])[C@@H:17]([CH3:3])[OH:28]

Parent-child relations graph

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