L-alanyl-(2S,3E)-amino-4-methoxy-but-3-enoyl-L-alanyl-[AmbE non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM743906 reference metacycM:L-alanyl-AMB-L-alanyl-AmbE formula C25H43N6O12PS*2 global charge 0 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=C/OC)NC(=O)[C@H](C)[NH3+])C([*])=O MNX internals InChI (mnx) InChI=1/C27H49N6O12PS/c1-16(28)23(37)33-19(9-12-43-7)24(38)32-17(2)26(40)47-13-11-30-21(35)8-10-31-25(39)22(36)27(4,5)15-45-46(41,42)44-14-20(29-6)18(3)34/h9,12,16-17,19-20,22,29,36H,8,10-11,13-15,28H2,1-7H3,(H,30,35)(H,31,39)(H,32,38)(H,33,37)(H,41,42)/b12-9+/t16-,17-,19-,20-,22-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@@H:16]([C:23](=[N:33][C@@H:19](/[CH:9]=[CH:12]/[O:43][CH3:7])[C:24](=[N:32][C@@H:17]([CH3:2])[C:26](=[O:40])[S:47][CH2:13][CH2:11][N:30]=[C:21]([CH2:8][CH2:10][N:31]=[C:25]([C@@H:22]([C:27]([CH3:4])([CH3:5])[CH2:15][O:45][P:46]([OH:41])(=[O:42])[O:44][CH2:14][C@@H:20]([C:18]([13CH3:3])=[O:34])[NH:29][13CH3:6])[OH:36])[OH:39])[OH:35])[OH:38])[OH:37])[NH2:28]

Parent-child relations graph

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