propanoyl-[TcsB polyketide synthase]

Properties Image MNX_ID MNXM1563067 reference metacycM:Propanoyl-TscB-PKS formula C17H29N3O9PS*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([*])=O MNX internals InChI (mnx) InChI=1/C19H36N3O9PS/c1-6-16(25)33-10-9-21-15(24)7-8-22-18(27)17(26)19(3,4)12-31-32(28,29)30-11-14(20-5)13(2)23/h14,17,20,26H,6-12H2,1-5H3,(H,21,24)(H,22,27)(H,28,29)/t14-,17-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][C:16](=[O:25])[S:33][CH2:10][CH2:9][N:21]=[C:15]([CH2:7][CH2:8][N:22]=[C:18]([C@@H:17]([C:19]([CH3:3])([CH3:4])[CH2:12][O:31][P:32]([OH:28])(=[O:29])[O:30][CH2:11][C@@H:14]([C:13]([13CH3:2])=[O:23])[NH:20][13CH3:5])[OH:26])[OH:27])[OH:24]

Parent-child relations graph

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