guanidinoacetyl-[polyketide synthase]

Properties Image MNX_ID MNXM743902 reference metacycM:Guanidinoacetyl-PKS formula C17H31N6O9PS*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CNC(N)=[NH2+])C([*])=O MNX internals InChI (mnx) InChI=1/C19H37N6O9PS/c1-12(26)13(22-4)10-33-35(31,32)34-11-19(2,3)16(29)17(30)24-6-5-14(27)23-7-8-36-15(28)9-25-18(20)21/h13,16,22,29H,5-11H2,1-4H3,(H,23,27)(H,24,30)(H,31,32)(H4,20,21,25)/t13-,16-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:12]([C@H:13]([CH2:10][O:33][P:35]([OH:31])(=[O:32])[O:34][CH2:11][C:19]([CH3:2])([CH3:3])[C@H:16]([C:17](=[N:24][CH2:6][CH2:5][C:14](=[N:23][CH2:7][CH2:8][S:36][C:15]([CH2:9][NH:25][C:18](=[NH:20])[NH2:21])=[O:28])[OH:27])[OH:30])[OH:29])[NH:22][13CH3:4])=[O:26]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0