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

Properties Image MNX_ID MNXM164945 reference metacycM:AcDMPT-L-Alanyl-L-Alanyl-PhsC formula C26H44N6O14P2S*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](C)NC(=O)[C@H](CC[PH](=O)[O-])NC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C28H52N6O14P2S/c1-16(32-25(40)20(34-19(4)36)9-12-49(43)44)24(39)33-17(2)27(42)51-13-11-30-22(37)8-10-31-26(41)23(38)28(5,6)15-48-50(45,46)47-14-21(29-7)18(3)35/h16-17,20-21,23,29,38,49H,8-15H2,1-7H3,(H,30,37)(H,31,41)(H,32,40)(H,33,39)(H,34,36)(H,43,44)(H,45,46)/t16-,17-,20-,21-,23-/m0/s1/i3+1,7+1 SMILES (mnx) [CH3:1][C@@H:16]([C:24](=[N:33][C@@H:17]([CH3:2])[C:27](=[O:42])[S:51][CH2:13][CH2:11][N:30]=[C:22]([CH2:8][CH2:10][N:31]=[C:26]([C@@H:23]([C:28]([CH3:5])([CH3:6])[CH2:15][O:48][P:50]([OH:45])(=[O:46])[O:47][CH2:14][C@@H:21]([C:18]([13CH3:3])=[O:35])[NH:29][13CH3:7])[OH:38])[OH:41])[OH:37])[OH:39])[N:32]=[C:25]([C@H:20]([CH2:9][CH2:12][PH:49]([OH:43])=[O:44])[N:34]=[C:19]([CH3:4])[OH:36])[OH:40]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0