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

Properties Image MNX_ID MNXM10478 reference metacycM:CPD-12405 formula C20H35N4O7S2 global charge -1 mol weight 507.655 InChIKey GPZLPQNMTKAECU-QNPAVUSQSA-M InChI InChI=1S/C20H36N4O7S2/c1-32-11-7-5-3-2-4-6-8-17(24-31)33-13-15(19(28)22-12-18(26)27)23-16(25)10-9-14(21)20(29)30/h14-15,31H,2-13,21H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/p-1/b24-17-/t14-,15-/m0/s1 SMILES CSCCCCCCCC/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/C20H36N4O7S2/c1-32-11-7-5-3-2-4-6-8-17(24-31)33-13-15(19(28)22-12-18(26)27)23-16(25)10-9-14(21)20(29)30/h14-15,31H,2-13,21H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/b24-17-/t14-,15-/m0/s1 SMILES (mnx) [CH3:1][S:32][CH2:11][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8]/[C:17](=[N:24]/[OH:31])[S:33][CH2:13][C@@H:15]([C:19](=[N:22][CH2:12][C:18](=[O:26])[OH:27])[OH:28])[N:23]=[C:16]([CH2:10][CH2:9][C@@H:14]([C:20](=[O:29])[OH:30])[NH2:21])[OH:25]

Parent-child relations graph

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