hydroxyphenyl-thiazolinyl-[PchE non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM11165 reference metacycM:hydroxyphenyl-thiazolinyl-PchE formula C24H32N4O10PS2*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)C1CSC(C2=CC=CC=C2O)=N1)C([*])=O MNX internals InChI (mnx) InChI=1/C26H39N4O10PS2/c1-16(31)18(27-4)13-39-41(37,38)40-15-26(2,3)22(34)23(35)29-10-9-21(33)28-11-12-42-25(36)19-14-43-24(30-19)17-7-5-6-8-20(17)32/h5-8,18-19,22,27,32,34H,9-15H2,1-4H3,(H,28,33)(H,29,35)(H,37,38)/t18-,19?,22-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:16]([C@H:18]([CH2:13][O:39][P:41]([OH:37])(=[O:38])[O:40][CH2:15][C:26]([CH3:2])([CH3:3])[C@H:22]([C:23](=[N:29][CH2:10][CH2:9][C:21](=[N:28][CH2:11][CH2:12][S:42][C:25]([CH:19]1[CH2:14][S:43][C:24]([C:17]2=[CH:7][CH:5]=[CH:6][CH:8]=[C:20]2[OH:32])=[N:30]1)=[O:36])[OH:33])[OH:35])[OH:34])[NH:27][13CH3:4])=[O:31]

Parent-child relations graph

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