N-acetyldemethylphosphinothricinyl-L-alanyl-[PhsB non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM163856 reference metacycM:AcDMPT-L-Alanyl-PhsB formula C23H39N5O13P2S*2 global charge -2 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](C)NC(=O)[C@H](CC[PH](=O)[O-])NC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C25H47N5O13P2S/c1-15(29-22(35)18(30-17(3)32)8-11-44(38)39)24(37)46-12-10-27-20(33)7-9-28-23(36)21(34)25(4,5)14-43-45(40,41)42-13-19(26-6)16(2)31/h15,18-19,21,26,34,44H,7-14H2,1-6H3,(H,27,33)(H,28,36)(H,29,35)(H,30,32)(H,38,39)(H,40,41)/t15-,18-,19-,21-/m0/s1/i2+1,6+1 SMILES (mnx) [CH3:1][C@@H:15]([C:24](=[O:37])[S:46][CH2:12][CH2:10][N:27]=[C:20]([CH2:7][CH2:9][N:28]=[C:23]([C@@H:21]([C:25]([CH3:4])([CH3:5])[CH2:14][O:43][P:45]([OH:40])(=[O:41])[O:42][CH2:13][C@@H:19]([C:16]([13CH3:2])=[O:31])[NH:26][13CH3:6])[OH:34])[OH:36])[OH:33])[N:29]=[C:22]([C@H:18]([CH2:8][CH2:11][PH:44]([OH:38])=[O:39])[N:30]=[C:17]([CH3:3])[OH:32])[OH:35]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0