N6-(2,3-dihydsroxybenzoyl)-L-lysyl-[MxcG non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1563003 reference metacycM:N-23-DHB-Lysyl-MxcG formula C27H42N5O12PS*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+])CCCCNC(=O)C1=CC=CC(O)=C1O)C([*])=O MNX internals InChI (mnx) InChI=1/C29H48N5O12PS/c1-18(35)21(31-4)16-45-47(43,44)46-17-29(2,3)25(39)27(41)34-13-11-23(37)32-14-15-48-28(42)20(30)9-5-6-12-33-26(40)19-8-7-10-22(36)24(19)38/h7-8,10,20-21,25,31,36,38-39H,5-6,9,11-17,30H2,1-4H3,(H,32,37)(H,33,40)(H,34,41)(H,43,44)/t20-,21-,25-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:18]([C@H:21]([CH2:16][O:45][P:47]([OH:43])(=[O:44])[O:46][CH2:17][C:29]([CH3:2])([CH3:3])[C@H:25]([C:27](=[N:34][CH2:13][CH2:11][C:23](=[N:32][CH2:14][CH2:15][S:48][C:28]([C@H:20]([CH2:9][CH2:5][CH2:6][CH2:12][N:33]=[C:26]([C:19]1=[C:24]([OH:38])[C:22]([OH:36])=[CH:10][CH:7]=[CH:8]1)[OH:40])[NH2:30])=[O:42])[OH:37])[OH:41])[OH:39])[NH:31][13CH3:4])=[O:35]

Parent-child relations graph

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