S-sulfoglutathione

Properties Image MNX_ID MNXM11701 reference chebi:195386 formula C10H17N3O9S2 global charge 0 mol weight 387.392 InChIKey WVRBCFLALSFRAF-WDSKDSINSA-N InChI InChI=1S/C10H17N3O9S2/c11-5(10(18)19)1-2-7(14)13-6(4-23-24(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 SMILES N[C@@H](CCC(=O)N[C@@H](CSS(=O)(=O)O)C(=O)NCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C10H17N3O9S2/c11-5(10(18)19)1-2-7(14)13-6(4-23-24(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:7](=[N:13][C@@H:6]([CH2:4][S:23][S:24]([OH:20])(=[O:21])=[O:22])[C:9](=[N:12][CH2:3][C:8](=[O:15])[OH:16])[OH:17])[OH:14])[C@@H:5]([C:10](=[O:18])[OH:19])[NH2:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0