N1,N6-(di-2,3-dihydroxybenzoyl)-L-lysyl-[MxcG non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM1563006 reference metacycM:N-N-di23-DHB-Lysyl-MxcG formula C34H45N5O15PS*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@H](CCCCNC(=O)C1=CC=CC(O)=C1O)NC(=O)C1=CC=CC(O)=C1O)C([*])=O MNX internals InChI (mnx) InChI=1/C36H52N5O15PS/c1-21(42)25(37-4)19-55-57(53,54)56-20-36(2,3)31(48)34(51)40-16-14-28(45)38-17-18-58-35(52)24(41-33(50)23-10-8-13-27(44)30(23)47)11-5-6-15-39-32(49)22-9-7-12-26(43)29(22)46/h7-10,12-13,24-25,31,37,43-44,46-48H,5-6,11,14-20H2,1-4H3,(H,38,45)(H,39,49)(H,40,51)(H,41,50)(H,53,54)/t24-,25-,31-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:21]([C@H:25]([CH2:19][O:55][P:57]([OH:53])(=[O:54])[O:56][CH2:20][C:36]([CH3:2])([CH3:3])[C@H:31]([C:34](=[N:40][CH2:16][CH2:14][C:28](=[N:38][CH2:17][CH2:18][S:58][C:35]([C@H:24]([CH2:11][CH2:5][CH2:6][CH2:15][N:39]=[C:32]([C:22]1=[C:29]([OH:46])[C:26]([OH:43])=[CH:12][CH:7]=[CH:9]1)[OH:49])[N:41]=[C:33]([C:23]1=[C:30]([OH:47])[C:27]([OH:44])=[CH:13][CH:8]=[CH:10]1)[OH:50])=[O:52])[OH:45])[OH:51])[OH:48])[NH:37][13CH3:4])=[O:42]

Parent-child relations graph

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