L-alanyl-L-glutamyl-L-alanyl--[AmbE non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM743908 reference metacycM:L-alanyl-L-glutamyl-L-alanyl-AmbE formula C25H42N6O13PS*2 global charge -1 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](CCC(=O)[O-])NC(=O)[C@H](C)[NH3+])C([*])=O MNX internals InChI (mnx) InChI=1/C27H49N6O13PS/c1-15(28)23(39)33-18(7-8-21(36)37)24(40)32-16(2)26(42)48-12-11-30-20(35)9-10-31-25(41)22(38)27(4,5)14-46-47(43,44)45-13-19(29-6)17(3)34/h15-16,18-19,22,29,38H,7-14,28H2,1-6H3,(H,30,35)(H,31,41)(H,32,40)(H,33,39)(H,36,37)(H,43,44)/t15-,16-,18-,19-,22-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][C@@H:15]([C:23](=[N:33][C@@H:18]([CH2:7][CH2:8][C:21](=[O:36])[OH:37])[C:24](=[N:32][C@@H:16]([CH3:2])[C:26](=[O:42])[S:48][CH2:12][CH2:11][N:30]=[C:20]([CH2:9][CH2:10][N:31]=[C:25]([C@@H:22]([C:27]([CH3:4])([CH3:5])[CH2:14][O:46][P:47]([OH:43])(=[O:44])[O:45][CH2:13][C@@H:19]([C:17]([13CH3:3])=[O:34])[NH:29][13CH3:6])[OH:38])[OH:41])[OH:35])[OH:40])[OH:39])[NH2:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0