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

Properties Image MNX_ID MNXM10377 reference metacycM:CPD-12396 formula C17H29N4O7S2 global charge -1 mol weight 465.574 InChIKey QUHKCUMRZNSHRI-NOSOHGNZSA-M InChI InChI=1S/C17H30N4O7S2/c1-29-8-4-2-3-5-14(21-28)30-10-12(16(25)19-9-15(23)24)20-13(22)7-6-11(18)17(26)27/h11-12,28H,2-10,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/p-1/b21-14-/t11-,12-/m0/s1 SMILES CSCCCCC/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/C17H30N4O7S2/c1-29-8-4-2-3-5-14(21-28)30-10-12(16(25)19-9-15(23)24)20-13(22)7-6-11(18)17(26)27/h11-12,28H,2-10,18H2,1H3,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/b21-14-/t11-,12-/m0/s1 SMILES (mnx) [CH3:1][S:29][CH2:8][CH2:4][CH2:2][CH2:3][CH2:5]/[C:14](=[N:21]/[OH:28])[S:30][CH2:10][C@@H:12]([C:16](=[N:19][CH2:9][C:15](=[O:23])[OH:24])[OH:25])[N:20]=[C:13]([CH2:7][CH2:6][C@@H:11]([C:17](=[O:26])[OH:27])[NH2:18])[OH:22]

Parent-child relations graph

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