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

an N-3-fumaramoyl-(S)-2,3-diaminopropanoyl-[DdaD non-ribosomal peptide synthase]

Properties Image MNX_ID MNXM164542 reference metacycM:N3-fumaramoyl-DAP-DdaD formula C21H35N6O11PS*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]([NH3+])CNC(=O)/C=C/C(N)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C23H41N6O11PS/c1-14(30)16(26-4)12-39-41(37,38)40-13-23(2,3)20(34)21(35)28-8-7-19(33)27-9-10-42-22(36)15(24)11-29-18(32)6-5-17(25)31/h5-6,15-16,20,26,34H,7-13,24H2,1-4H3,(H2,25,31)(H,27,33)(H,28,35)(H,29,32)(H,37,38)/b6-5+/t15-,16-,20-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:7](/[CH:3]=[CH:2]\[C:6]([CH2:11][13CH2:4][C@@H:5]([C:8]([CH2:10][CH2:20][CH2:19][NH:26][C:22]([CH2:17][CH2:18][NH:27][N:24]([C@@H:23]([N:25]([CH3:15])([CH3:16])[CH2:21][O:31][O:32]([O:40][O:33][O:34]([O:35]([OH:36])=[O:38])[O:37][OH:39])([PH2:41])=[S:42])[NH2:29])=[O:30])=[NH:28])=[CH2:14])[CH3:9])=[CH2:12])=[CH2:13]

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:N3-fumaramoyl-DAP-DdaD metacycM:N3-fumaramoyl-DAP-DdaD	an N-3-fumaramoyl-(S)-2,3-diaminopropanoyl-[DdaD non-ribosomal peptide synthase]