pyruvoyl-[AntC non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1563086 reference metacycM:Pyruvoyl-AntC formula C17H27N3O10PS*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(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C19H34N3O10PS/c1-12(23)14(20-5)10-31-33(29,30)32-11-19(3,4)16(26)17(27)22-7-6-15(25)21-8-9-34-18(28)13(2)24/h14,16,20,26H,6-11H2,1-5H3,(H,21,25)(H,22,27)(H,29,30)/t14-,16-/m0/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:12]([C@H:14]([CH2:10][O:31][P:33]([OH:29])(=[O:30])[O:32][CH2:11][C:19]([CH3:3])([CH3:4])[C@H:16]([C:17](=[N:22][CH2:7][CH2:6][C:15](=[N:21][CH2:8][CH2:9][S:34][C:18]([C:13]([CH3:2])=[O:24])=[O:28])[OH:25])[OH:27])[OH:26])[NH:20][13CH3:5])=[O:23]

Parent-child relations graph

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