**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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:11]([CH3:2])([CH2:7][CH2:17][C:18]([CH2:27][CH2:20][C@H:21]([C:22]([CH3:23])=[CH2:25])[CH2:24][CH3:26])([NH2:28])=[NH:29])[C@@H:9]([C:10]([CH2:13][CH2:4][13CH2:3][C:8]([CH2:12][CH2:5][13CH2:6][CH2:19][N:32]([N:31]([NH2:30])[NH:33][O:39]([O:36]([O:35][O:40][O:41]([OH:42])=[O:43])[O:37][O:44]([O:46]([OH:45])[PH2:47])=[S:48])=[O:38])=[O:34])=[CH2:14])=[CH2:16])[CH3:15]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:L-alanyl-L-glutamyl-L-alanyl-AmbE metacycM:L-alanyl-L-glutamyl-L-alanyl-AmbE	L-alanyl-L-glutamyl-L-alanyl--[AmbE non-ribosomal peptide synthase]
seed.compound:cpd37151 seedM:cpd37151	L-alanyl-L-glutamyl-L-alanyl-AmbE
seedM:M_cpd37151	secondary/obsolete/fantasy identifier