D-phenylalanyl-[gramicidin-S synthetase]

Properties Image MNX_ID MNXM11292 reference metacycM:D-Phenylalanyl-Acps formula C23H35N4O9PS*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+])CC1=CC=CC=C1)C([*])=O MNX internals InChI (mnx) InChI=1/C25H41N4O9PS/c1-17(30)20(27-4)15-37-39(35,36)38-16-25(2,3)22(32)23(33)29-11-10-21(31)28-12-13-40-24(34)19(26)14-18-8-6-5-7-9-18/h5-9,19-20,22,27,32H,10-16,26H2,1-4H3,(H,28,31)(H,29,33)(H,35,36)/t19-,20+,22+/m1/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:17]([C@H:20]([CH2:15][O:37][P:39]([OH:35])(=[O:36])[O:38][CH2:16][C:25]([CH3:2])([CH3:3])[C@H:22]([C:23](=[N:29][CH2:11][CH2:10][C:21](=[N:28][CH2:12][CH2:13][S:40][C:24]([C@@H:19]([CH2:14][C:18]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1)[NH2:26])=[O:34])[OH:31])[OH:33])[OH:32])[NH:27][13CH3:4])=[O:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0