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

Properties Image MNX_ID MNXM10456 reference metacycM:CPD-12402 formula C19H33N4O7S2 global charge -1 mol weight 493.628 InChIKey BTIMTMCNIPNGRC-AFLXUTJMSA-M InChI InChI=1S/C19H34N4O7S2/c1-31-10-6-4-2-3-5-7-16(23-30)32-12-14(18(27)21-11-17(25)26)22-15(24)9-8-13(20)19(28)29/h13-14,30H,2-12,20H2,1H3,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/p-1/b23-16-/t13-,14-/m0/s1 SMILES CSCCCCCCC/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/C19H34N4O7S2/c1-31-10-6-4-2-3-5-7-16(23-30)32-12-14(18(27)21-11-17(25)26)22-15(24)9-8-13(20)19(28)29/h13-14,30H,2-12,20H2,1H3,(H,21,27)(H,22,24)(H,25,26)(H,28,29)/b23-16-/t13-,14-/m0/s1 SMILES (mnx) [CH3:1][S:31][CH2:10][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7]/[C:16](=[N:23]/[OH:30])[S:32][CH2:12][C@@H:14]([C:18](=[N:21][CH2:11][C:17](=[O:25])[OH:26])[OH:27])[N:22]=[C:15]([CH2:9][CH2:8][C@@H:13]([C:19](=[O:28])[OH:29])[NH2:20])[OH:24]

Parent-child relations graph

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