an [AntC non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1562700 reference metacycM:AntC-NRPS formula C14H25N3O8PS*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)NCCS)C([*])=O MNX internals InChI (mnx) InChI=1/C16H32N3O8PS/c1-11(20)12(17-4)9-26-28(24,25)27-10-16(2,3)14(22)15(23)19-6-5-13(21)18-7-8-29/h12,14,17,22,29H,5-10H2,1-4H3,(H,18,21)(H,19,23)(H,24,25)/t12-,14-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:11]([C@H:12]([CH2:9][O:26][P:28]([OH:24])(=[O:25])[O:27][CH2:10][C:16]([CH3:2])([CH3:3])[C@H:14]([C:15](=[N:19][CH2:6][CH2:5][C:13](=[N:18][CH2:7][CH2:8][SH:29])[OH:21])[OH:23])[OH:22])[NH:17][13CH3:4])=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0