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

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: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:37][O:43]([O:45]([OH:44])[PH2:46])=[S:47])=[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) 3 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
metacyc.compound:L-alanyl-AMB-L-alanyl-AmbE metacycM:L-alanyl-AMB-L-alanyl-AmbE	L-alanyl-(2S,3E)-amino-4-methoxy-but-3-enoyl-L-alanyl-[AmbE non-ribosomal peptide synthase]
seed.compound:cpd36052 seedM:cpd36052	L-alanyl-AMB-L-alanyl-AmbE
seedM:M_cpd36052	secondary/obsolete/fantasy identifier