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

Properties Image MNX_ID MNXM10224 reference metacycM:CPD-12390 formula C15H25N4O7S2 global charge -1 mol weight 437.52 InChIKey MZIFZNVMGWJZJS-CKPZPDRJSA-M InChI InChI=1S/C15H26N4O7S2/c1-27-6-2-3-12(19-26)28-8-10(14(23)17-7-13(21)22)18-11(20)5-4-9(16)15(24)25/h9-10,26H,2-8,16H2,1H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/p-1/b19-12-/t9-,10-/m0/s1 SMILES CSCCC/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/C15H26N4O7S2/c1-27-6-2-3-12(19-26)28-8-10(14(23)17-7-13(21)22)18-11(20)5-4-9(16)15(24)25/h9-10,26H,2-8,16H2,1H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/b19-12-/t9-,10-/m0/s1 SMILES (mnx) [CH3:1][S:27][CH2:6][CH2:2][CH2:3]/[C:12](=[N:19]/[OH:26])[S:28][CH2:8][C@@H:10]([C:14](=[N:17][CH2:7][C:13](=[O:21])[OH:22])[OH:23])[N:18]=[C:11]([CH2:5][CH2:4][C@@H:9]([C:15](=[O:24])[OH:25])[NH2:16])[OH:20]

Parent-child relations graph

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