(Z)-1-(glutathion-S-yl)-N-hydroxy-2-(1H-indol-3-yl)ethan-1-imine

Properties Image MNX_ID MNXM1365503 reference metacycM:CPD-12387 formula C20H24N5O7S global charge -1 mol weight 478.507 InChIKey RAKAOQJZHXOSHL-FXOIQJHLSA-M InChI InChI=1S/C20H25N5O7S/c21-13(20(30)31)5-6-16(26)24-15(19(29)23-9-18(27)28)10-33-17(25-32)7-11-8-22-14-4-2-1-3-12(11)14/h1-4,8,13,15,22,32H,5-7,9-10,21H2,(H,23,29)(H,24,26)(H,27,28)(H,30,31)/p-1/b25-17-/t13-,15-/m0/s1 SMILES [NH3+][C@@H](CCC(=O)N[C@@H](CS/C(CC1=CNC2=C1C=CC=C2)=N\O)C(=O)NCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H25N5O7S/c21-13(20(30)31)5-6-16(26)24-15(19(29)23-9-18(27)28)10-33-17(25-32)7-11-8-22-14-4-2-1-3-12(11)14/h1-4,8,13,15,22,32H,5-7,9-10,21H2,(H,23,29)(H,24,26)(H,27,28)(H,30,31)/b25-17-/t13-,15-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14]2[C:12](=[CH:3]1)[C:11]([CH2:7]/[C:17](=[N:25]/[OH:32])[S:33][CH2:10][C@@H:15]([C:19](=[N:23][CH2:9][C:18](=[O:27])[OH:28])[OH:29])[N:24]=[C:16]([CH2:6][CH2:5][C@@H:13]([C:20](=[O:30])[OH:31])[NH2:21])[OH:26])=[CH:8][NH:22]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0