3-oxopentanoyl-[TcsA polyketide synthase]

Properties Image MNX_ID MNXM1562635 reference metacycM:3-oxo-pentanoyl-TcsA-PKS formula C19H31N3O10PS*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)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C21H38N3O10PS/c1-6-15(26)11-18(28)36-10-9-23-17(27)7-8-24-20(30)19(29)21(3,4)13-34-35(31,32)33-12-16(22-5)14(2)25/h16,19,22,29H,6-13H2,1-5H3,(H,23,27)(H,24,30)(H,31,32)/t16-,19-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][C:15]([CH2:11][C:18](=[O:28])[S:36][CH2:10][CH2:9][N:23]=[C:17]([CH2:7][CH2:8][N:24]=[C:20]([C@@H:19]([C:21]([CH3:3])([CH3:4])[CH2:13][O:34][P:35]([OH:31])(=[O:32])[O:33][CH2:12][C@@H:16]([C:14]([13CH3:2])=[O:25])[NH:22][13CH3:5])[OH:29])[OH:30])[OH:27])=[O:26]

Parent-child relations graph

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