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

Properties Image MNX_ID MNXM1089770 reference metacycM:L-alanyl-AmbE formula C17H31N4O9PS*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)[NH3+])C([*])=O MNX internals InChI (mnx) InChI=1/C19H37N4O9PS/c1-12(20)18(28)34-9-8-22-15(25)6-7-23-17(27)16(26)19(3,4)11-32-33(29,30)31-10-14(21-5)13(2)24/h12,14,16,21,26H,6-11,20H2,1-5H3,(H,22,25)(H,23,27)(H,29,30)/t12-,14-,16-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@@H:12]([C:18](=[O:28])[S:34][CH2:9][CH2:8][N:22]=[C:15]([CH2:6][CH2:7][N:23]=[C:17]([C@@H:16]([C:19]([CH3:3])([CH3:4])[CH2:11][O:32][P:33]([OH:29])(=[O:30])[O:31][CH2:10][C@@H:14]([C:13]([13CH3:2])=[O:24])[NH:21][13CH3:5])[OH:26])[OH:27])[OH:25])[NH2:20]

Parent-child relations graph

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