N-acetyldemethylphosphinothricinyl-[PhsA non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM164944 reference metacycM:AcDMPT-PhsA formula C20H34N4O12P2S*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[PH](=O)[O-])NC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C22H42N4O12P2S/c1-14(27)17(23-5)12-37-40(35,36)38-13-22(3,4)19(30)20(31)25-8-6-18(29)24-9-11-41-21(32)16(26-15(2)28)7-10-39(33)34/h16-17,19,23,30,39H,6-13H2,1-5H3,(H,24,29)(H,25,31)(H,26,28)(H,33,34)(H,35,36)/t16-,17-,19-/m0/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:14]([C@H:17]([CH2:12][O:37][P:40]([OH:35])(=[O:36])[O:38][CH2:13][C:22]([CH3:3])([CH3:4])[C@H:19]([C:20](=[N:25][CH2:8][CH2:6][C:18](=[N:24][CH2:9][CH2:11][S:41][C:21]([C@H:16]([CH2:7][CH2:10][PH:39]([OH:33])=[O:34])[N:26]=[C:15]([CH3:2])[OH:28])=[O:32])[OH:29])[OH:31])[OH:30])[NH:23][13CH3:5])=[O:27]

Parent-child relations graph

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