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

Properties Image MNX_ID MNXM743907 reference metacycM:L-alanyl-L-glutamyl-AmbE formula C22H37N5O12PS*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]([NH3+])CCC(=O)[O-])C([*])=O MNX internals InChI (mnx) InChI=1/C24H44N5O12PS/c1-14(29-21(35)16(25)6-7-19(32)33)23(37)43-11-10-27-18(31)8-9-28-22(36)20(34)24(3,4)13-41-42(38,39)40-12-17(26-5)15(2)30/h14,16-17,20,26,34H,6-13,25H2,1-5H3,(H,27,31)(H,28,36)(H,29,35)(H,32,33)(H,38,39)/t14-,16-,17-,20-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][C@@H:14]([C:23](=[O:37])[S:43][CH2:11][CH2:10][N:27]=[C:18]([CH2:8][CH2:9][N:28]=[C:22]([C@@H:20]([C:24]([CH3:3])([CH3:4])[CH2:13][O:41][P:42]([OH:38])(=[O:39])[O:40][CH2:12][C@@H:17]([C:15]([13CH3:2])=[O:30])[NH:26][13CH3:5])[OH:34])[OH:36])[OH:31])[N:29]=[C:21]([C@H:16]([CH2:6][CH2:7][C:19](=[O:32])[OH:33])[NH2:25])[OH:35]

Parent-child relations graph

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