aminomalonyl-[ClbK polyketide synthase]

Properties Image MNX_ID MNXM1133983 reference metacycM:Aminomalonyl-ClbK-PKS formula C17H28N4O11PS*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)[C@@H]([NH3+])C(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C19H35N4O11PS/c1-11(24)12(21-4)9-33-35(31,32)34-10-19(2,3)15(26)16(27)23-6-5-13(25)22-7-8-36-18(30)14(20)17(28)29/h12,14-15,21,26H,5-10,20H2,1-4H3,(H,22,25)(H,23,27)(H,28,29)(H,31,32)/t12-,14-,15-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:11]([C@H:12]([CH2:9][O:33][P:35]([OH:31])(=[O:32])[O:34][CH2:10][C:19]([CH3:2])([CH3:3])[C@H:15]([C:16](=[N:23][CH2:6][CH2:5][C:13](=[N:22][CH2:7][CH2:8][S:36][C:18]([C@H:14]([C:17](=[O:28])[OH:29])[NH2:20])=[O:30])[OH:25])[OH:27])[OH:26])[NH:21][13CH3:4])=[O:24]

Parent-child relations graph

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