(Z)-1-(glutathion-S-yl)-N-hydroxy-2-(4-hydroxyphenyl)ethan-1-imine

Properties Image MNX_ID MNXM818488 reference metacycM:CPD-20051 formula C18H23N4O8S global charge -1 mol weight 455.469 InChIKey ASVZVVIRLJACCB-XUJJJAFJSA-M InChI InChI=1S/C18H24N4O8S/c19-12(18(28)29)5-6-14(24)21-13(17(27)20-8-16(25)26)9-31-15(22-30)7-10-1-3-11(23)4-2-10/h1-4,12-13,23,30H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/p-1/b22-15-/t12-,13-/m0/s1 SMILES [NH3+][C@@H](CCC(=O)N[C@@H](CS/C(CC1=CC=C(O)C=C1)=N\O)C(=O)NCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C18H24N4O8S/c19-12(18(28)29)5-6-14(24)21-13(17(27)20-8-16(25)26)9-31-15(22-30)7-10-1-3-11(23)4-2-10/h1-4,12-13,23,30H,5-9,19H2,(H,20,27)(H,21,24)(H,25,26)(H,28,29)/b22-15-/t12-,13-/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:11]([OH:23])=[CH:4][CH:2]=[C:10]1[CH2:7]/[C:15](=[N:22]/[OH:30])[S:31][CH2:9][C@@H:13]([C:17](=[N:20][CH2:8][C:16](=[O:25])[OH:26])[OH:27])[N:21]=[C:14]([CH2:6][CH2:5][C@@H:12]([C:18](=[O:28])[OH:29])[NH2:19])[OH:24]

Parent-child relations graph

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