S-(chloromethyl)glutathione(1-)

Properties Image MNX_ID MNXM169038 reference chebi:133877 formula C11H17ClN3O6S global charge -1 mol weight 354.792 InChIKey CHJNQYVYXPYGEW-BQBZGAKWSA-M InChI InChI=1S/C11H18ClN3O6S/c12-5-22-4-7(10(19)14-3-9(17)18)15-8(16)2-1-6(13)11(20)21/h6-7H,1-5,13H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/p-1/t6-,7-/m0/s1 SMILES [NH3+][C@@H](CCC(=O)N[C@@H](CSCCl)C(=O)NCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H18ClN3O6S/c12-5-22-4-7(10(19)14-3-9(17)18)15-8(16)2-1-6(13)11(20)21/h6-7H,1-5,13H2,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:8](=[N:15][C@@H:7]([CH2:4][S:22][CH2:5][Cl:12])[C:10](=[N:14][CH2:3][C:9](=[O:17])[OH:18])[OH:19])[OH:16])[C@@H:6]([C:11](=[O:20])[OH:21])[NH2:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0