N-desmethyl-pyochelin-[PchF non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM11167 reference metacycM:N-desmethyl-pyochelin-PchF formula C27H37N5O10PS3*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]1CS[C@H]([C@H]2CSC(C3=CC=CC=C3O)=N2)N1)C([*])=O MNX internals InChI (mnx) InChI=1/C29H44N5O10PS3/c1-17(35)19(30-4)13-43-45(41,42)44-16-29(2,3)24(38)25(39)32-10-9-23(37)31-11-12-46-28(40)21-15-48-27(34-21)20-14-47-26(33-20)18-7-5-6-8-22(18)36/h5-8,19-21,24,27,30,34,36,38H,9-16H2,1-4H3,(H,31,37)(H,32,39)(H,41,42)/t19-,20+,21-,24-,27+/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:17]([C@H:19]([CH2:13][O:43][P:45]([OH:41])(=[O:42])[O:44][CH2:16][C:29]([CH3:2])([CH3:3])[C@H:24]([C:25](=[N:32][CH2:10][CH2:9][C:23](=[N:31][CH2:11][CH2:12][S:46][C:28]([C@@H:21]1[CH2:15][S:48][C@H:27]([C@H:20]2[CH2:14][S:47][C:26]([C:18]3=[CH:7][CH:5]=[CH:6][CH:8]=[C:22]3[OH:36])=[N:33]2)[NH:34]1)=[O:40])[OH:37])[OH:39])[OH:38])[NH:30][13CH3:4])=[O:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0