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

Parent-child relations graph

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