an (S)-beta-hydroxy-L-tryptophyl-[L-tryptophyl-carrier protein]

Properties Image MNX_ID MNXM164524 reference metacycM:Beta-hydroxy-Trp-Tryptophanyl-CP formula C25H36N5O10PS*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+])[C@@H](O)C1=CNC2=C1C=CC=C2)C([*])=O MNX internals InChI (mnx) InChI=1/C27H42N5O10PS/c1-16(33)20(29-4)14-41-43(39,40)42-15-27(2,3)24(36)25(37)31-10-9-21(34)30-11-12-44-26(38)22(28)23(35)18-13-32-19-8-6-5-7-17(18)19/h5-8,13,20,22-24,29,32,35-36H,9-12,14-15,28H2,1-4H3,(H,30,34)(H,31,37)(H,39,40)/t20-,22-,23-,24-/m0/s1/i1+1,4+1 SMILES (mnx) [13CH3:1][C:16]([C@H:20]([CH2:14][O:41][P:43]([OH:39])(=[O:40])[O:42][CH2:15][C:27]([CH3:2])([CH3:3])[C@H:24]([C:25](=[N:31][CH2:10][CH2:9][C:21](=[N:30][CH2:11][CH2:12][S:44][C:26]([C@H:22]([C@H:23]([C:18]1=[CH:13][NH:32][C:19]2=[CH:8][CH:6]=[CH:5][CH:7]=[C:17]12)[OH:35])[NH2:28])=[O:38])[OH:34])[OH:37])[OH:36])[NH:29][13CH3:4])=[O:33]

Parent-child relations graph

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