an L-threonyl-[AntC non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1562949 reference metacycM:L-threonyl-AntC formula C18H33N4O10PS*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)[C@@H]([NH3+])[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C20H39N4O10PS/c1-12(25)14(22-5)10-33-35(31,32)34-11-20(3,4)17(28)18(29)24-7-6-15(27)23-8-9-36-19(30)16(21)13(2)26/h13-14,16-17,22,26,28H,6-11,21H2,1-5H3,(H,23,27)(H,24,29)(H,31,32)/t13-,14+,16+,17+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:12]([C@H:14]([CH2:10][O:33][P:35]([OH:31])(=[O:32])[O:34][CH2:11][C:20]([CH3:3])([CH3:4])[C@H:17]([C:18](=[N:24][CH2:7][CH2:6][C:15](=[N:23][CH2:8][CH2:9][S:36][C:19]([C@H:16]([C@@H:13]([CH3:2])[OH:26])[NH2:21])=[O:30])[OH:27])[OH:29])[OH:28])[NH:22][13CH3:5])=[O:25]

Parent-child relations graph

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