(Z)-1-(glutathion-S-yl)-N-hydroxy-omega-(methylsulfanyl)pentan-1-imine

Properties Image MNX_ID MNXM10338 reference metacycM:CPD-12393 formula C16H27N4O7S2 global charge -1 mol weight 451.547 InChIKey YQUHLDHXDRTWFY-BUJFJAHTSA-M InChI InChI=1S/C16H28N4O7S2/c1-28-7-3-2-4-13(20-27)29-9-11(15(24)18-8-14(22)23)19-12(21)6-5-10(17)16(25)26/h10-11,27H,2-9,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)(H,25,26)/p-1/b20-13-/t10-,11-/m0/s1 SMILES CSCCCC/C(=N/O)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H28N4O7S2/c1-28-7-3-2-4-13(20-27)29-9-11(15(24)18-8-14(22)23)19-12(21)6-5-10(17)16(25)26/h10-11,27H,2-9,17H2,1H3,(H,18,24)(H,19,21)(H,22,23)(H,25,26)/b20-13-/t10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:28][CH2:7][CH2:3][CH2:2][CH2:4]/[C:13](=[N:20]/[OH:27])[S:29][CH2:9][C@@H:11]([C:15](=[N:18][CH2:8][C:14](=[O:22])[OH:23])[OH:24])[N:19]=[C:12]([CH2:6][CH2:5][C@@H:10]([C:16](=[O:25])[OH:26])[NH2:17])[OH:21]

Parent-child relations graph

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