a 3-hydroxyquinaldyl-D-cysteinyl-glycyl-[non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM164243 reference metacycM:HQA-D-Cys-Gly-NRPS formula C29H38N6O12PS2*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)[C@@H](CS)NC(=O)C1=NC2=CC=CC=C2C=C1O)C([*])=O MNX internals InChI (mnx) InChI=1/C31H45N6O12PS2/c1-18(38)21(32-4)15-48-50(46,47)49-17-31(2,3)27(42)30(45)34-10-9-24(40)33-11-12-52-25(41)14-35-28(43)22(16-51)37-29(44)26-23(39)13-19-7-5-6-8-20(19)36-26/h5-8,13,21-22,27,32,39,42,51H,9-12,14-17H2,1-4H3,(H,33,40)(H,34,45)(H,35,43)(H,37,44)(H,46,47)/t21-,22+,27-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:18]([C@H:21]([CH2:15][O:48][P:50]([OH:46])(=[O:47])[O:49][CH2:17][C:31]([CH3:2])([CH3:3])[C@H:27]([C:30](=[N:34][CH2:10][CH2:9][C:24](=[N:33][CH2:11][CH2:12][S:52][C:25]([CH2:14][N:35]=[C:28]([C@@H:22]([CH2:16][SH:51])[NH:37][C:29]([C:26]1=[N:36][C:20]2=[CH:8][CH:6]=[CH:5][CH:7]=[C:19]2[CH:13]=[C:23]1[OH:39])=[O:44])[OH:43])=[O:41])[OH:40])[OH:45])[OH:42])[NH:32][13CH3:4])=[O:38]

Parent-child relations graph

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