an S-(2-hydroxyacyl)glutathione

Properties Image MNX_ID MNXM97270 reference chebi:71261 formula C12H17N3O8S* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C(O)C(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6?,7-,8-/m0/s1/i1+1 SMILES (mnx) [13CH3:1][CH:6]([C:13](=[O:24])[S:25][CH2:5][C@@H:8]([C:11](=[N:15][CH2:4][C:10](=[O:19])[OH:20])[OH:21])[N:16]=[C:9]([CH2:3][CH2:2][C@@H:7]([C:12](=[O:22])[OH:23])[NH2:14])[OH:18])[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1