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

Properties Image MNX_ID MNXM10429 reference metacycM:CPD-12399 formula C18H31N4O7S2 global charge -1 mol weight 479.601 InChIKey JOFREYGWDGCQDK-XUJJJAFJSA-M InChI InChI=1S/C18H32N4O7S2/c1-30-9-5-3-2-4-6-15(22-29)31-11-13(17(26)20-10-16(24)25)21-14(23)8-7-12(19)18(27)28/h12-13,29H,2-11,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/p-1/b22-15-/t12-,13-/m0/s1 SMILES CSCCCCCC/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/C18H32N4O7S2/c1-30-9-5-3-2-4-6-15(22-29)31-11-13(17(26)20-10-16(24)25)21-14(23)8-7-12(19)18(27)28/h12-13,29H,2-11,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/b22-15-/t12-,13-/m0/s1 SMILES (mnx) [CH3:1][S:30][CH2:9][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6]/[C:15](=[N:22]/[OH:29])[S:31][CH2:11][C@@H:13]([C:17](=[N:20][CH2:10][C:16](=[O:24])[OH:25])[OH:26])[N:21]=[C:14]([CH2:8][CH2:7][C@@H:12]([C:18](=[O:27])[OH:28])[NH2:19])[OH:23]

Parent-child relations graph

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