a salicyl-N-threonyl-[PmsG non-ribosomal peptide synthase protein]

Properties Image MNX_ID MNXM744043 reference metacycM:Salicyl-threonyl-PmsG formula C25H36N4O12PS*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)C1=CC=CC=C1O)[C@@H](C)O)C([*])=O MNX internals InChI (mnx) InChI=1/C27H43N4O12PS/c1-16(32)19(28-5)14-42-44(40,41)43-15-27(3,4)23(36)25(38)30-11-10-21(35)29-12-13-45-26(39)22(17(2)33)31-24(37)18-8-6-7-9-20(18)34/h6-9,17,19,22-23,28,33-34,36H,10-15H2,1-5H3,(H,29,35)(H,30,38)(H,31,37)(H,40,41)/t17-,19+,22+,23+/m1/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:16]([C@H:19]([CH2:14][O:42][P:44]([OH:40])(=[O:41])[O:43][CH2:15][C:27]([CH3:3])([CH3:4])[C@H:23]([C:25](=[N:30][CH2:11][CH2:10][C:21](=[N:29][CH2:12][CH2:13][S:45][C:26]([C@H:22]([C@@H:17]([CH3:2])[OH:33])[N:31]=[C:24]([C:18]1=[CH:8][CH:6]=[CH:7][CH:9]=[C:20]1[OH:34])[OH:37])=[O:39])[OH:35])[OH:38])[OH:36])[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