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

Properties Image MNX_ID MNXM743864 reference metacycM:DHB-glycyl-DhbF formula C23H32N4O12PS*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)CNC(=O)C1=C(O)C(O)=CC=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C25H39N4O12PS/c1-15(30)17(26-4)13-40-42(38,39)41-14-25(2,3)22(35)24(37)28-9-8-19(32)27-10-11-43-20(33)12-29-23(36)16-6-5-7-18(31)21(16)34/h5-7,17,22,26,31,34-35H,8-14H2,1-4H3,(H,27,32)(H,28,37)(H,29,36)(H,38,39)/t17-,22-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:15]([C@H:17]([CH2:13][O:40][P:42]([OH:38])(=[O:39])[O:41][CH2:14][C:25]([CH3:2])([CH3:3])[C@H:22]([C:24](=[N:28][CH2:9][CH2:8][C:19](=[N:27][CH2:10][CH2:11][S:43][C:20]([CH2:12][N:29]=[C:23]([C:16]1=[C:21]([OH:34])[C:18]([OH:31])=[CH:7][CH:5]=[CH:6]1)[OH:36])=[O:33])[OH:32])[OH:37])[OH:35])[NH:26][13CH3:4])=[O:30]

Parent-child relations graph

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