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

Properties Image MNX_ID MNXM164946 reference metacycM:AcDMPT-L-Alanyl-L-Leucyl-PhsC formula C29H50N6O14P2S*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](CC(C)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/C31H58N6O14P2S/c1-18(2)15-23(37-27(42)19(3)35-28(43)22(36-21(5)39)10-13-52(46)47)30(45)54-14-12-33-25(40)9-11-34-29(44)26(41)31(6,7)17-51-53(48,49)50-16-24(32-8)20(4)38/h18-19,22-24,26,32,41,52H,9-17H2,1-8H3,(H,33,40)(H,34,44)(H,35,43)(H,36,39)(H,37,42)(H,46,47)(H,48,49)/t19-,22-,23-,24-,26-/m0/s1/i4+1,8+1 SMILES (mnx) [CH3:1][CH:18]([CH3:2])[CH2:15][C@@H:23]([C:30](=[O:45])[S:54][CH2:14][CH2:12][N:33]=[C:25]([CH2:9][CH2:11][N:34]=[C:29]([C@@H:26]([C:31]([CH3:6])([CH3:7])[CH2:17][O:51][P:53]([OH:48])(=[O:49])[O:50][CH2:16][C@@H:24]([C:20]([13CH3:4])=[O:38])[NH:32][13CH3:8])[OH:41])[OH:44])[OH:40])[N:37]=[C:27]([C@H:19]([CH3:3])[N:35]=[C:28]([C@H:22]([CH2:10][CH2:13][PH:52]([OH:46])=[O:47])[N:36]=[C:21]([CH3:5])[OH:39])[OH:43])[OH:42]

Parent-child relations graph

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