a salicylmethyloxazolinyl-[PmsG non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM744044 reference metacycM:Salicylmethyloxazolinyl-PmsG formula C25H34N4O11PS*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]1N=C(C2=CC=CC=C2O)O[C@@H]1C)C([*])=O MNX internals InChI (mnx) InChI=1/C27H41N4O11PS/c1-16(32)19(28-5)14-40-43(38,39)41-15-27(3,4)23(35)24(36)30-11-10-21(34)29-12-13-44-26(37)22-17(2)42-25(31-22)18-8-6-7-9-20(18)33/h6-9,17,19,22-23,28,33,35H,10-15H2,1-5H3,(H,29,34)(H,30,36)(H,38,39)/t17-,19+,22+,23+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:16]([C@H:19]([CH2:14][O:40][P:43]([OH:38])(=[O:39])[O:41][CH2:15][C:27]([CH3:3])([CH3:4])[C@H:23]([C:24](=[N:30][CH2:11][CH2:10][C:21](=[N:29][CH2:12][CH2:13][S:44][C:26]([C@@H:22]1[C@@H:17]([CH3:2])[O:42][C:25]([C:18]2=[CH:8][CH:6]=[CH:7][CH:9]=[C:20]2[OH:33])=[N:31]1)=[O:37])[OH:34])[OH:36])[OH:35])[NH:28][13CH3:5])=[O:32]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0