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

Properties Image MNX_ID MNXM164541 reference metacycM:N-3-epoxysuccinamoyl-DAP-DdaD formula C21H35N6O12PS*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@@H]1O[C@H]1C(N)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C23H41N6O12PS/c1-12(30)14(26-4)10-39-42(37,38)40-11-23(2,3)18(32)21(35)28-6-5-15(31)27-7-8-43-22(36)13(24)9-29-20(34)17-16(41-17)19(25)33/h13-14,16-18,26,32H,5-11,24H2,1-4H3,(H2,25,33)(H,27,31)(H,28,35)(H,29,34)(H,37,38)/t13-,14-,16+,17+,18-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:12]([C@H:14]([CH2:10][O:39][P:42]([OH:37])(=[O:38])[O:40][CH2:11][C:23]([CH3:2])([CH3:3])[C@H:18]([C:21](=[N:28][CH2:6][CH2:5][C:15](=[N:27][CH2:7][CH2:8][S:43][C:22]([C@H:13]([CH2:9][N:29]=[C:20]([C@H:17]1[C@H:16]([C:19](=[NH:25])[OH:33])[O:41]1)[OH:34])[NH2:24])=[O:36])[OH:31])[OH:35])[OH:32])[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