a 2,3-dihydroxybenzoyl-glycyl-L-threonyl-[DhbF non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM743865 reference metacycM:DHB-glycyl-arginyl-DhbF formula C27H39N5O14PS*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](NC(=O)CNC(=O)C1=C(O)C(O)=CC=C1)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C29H46N5O14PS/c1-16(35)19(30-5)14-47-49(45,46)48-15-29(3,4)25(41)27(43)32-10-9-21(38)31-11-12-50-28(44)23(17(2)36)34-22(39)13-33-26(42)18-7-6-8-20(37)24(18)40/h6-8,17,19,23,25,30,36-37,40-41H,9-15H2,1-5H3,(H,31,38)(H,32,43)(H,33,42)(H,34,39)(H,45,46)/t17-,19+,23+,25+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:16]([C@H:19]([CH2:14][O:47][P:49]([OH:45])(=[O:46])[O:48][CH2:15][C:29]([CH3:3])([CH3:4])[C@H:25]([C:27](=[N:32][CH2:10][CH2:9][C:21](=[N:31][CH2:11][CH2:12][S:50][C:28]([C@H:23]([C@@H:17]([CH3:2])[OH:36])[N:34]=[C:22]([CH2:13][N:33]=[C:26]([C:18]1=[C:24]([OH:40])[C:20]([OH:37])=[CH:8][CH:6]=[CH:7]1)[OH:42])[OH:39])=[O:44])[OH:38])[OH:43])[OH:41])[NH:30][13CH3:5])=[O:35]

Parent-child relations graph

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