S-Acetylglutathione

Properties Image MNX_ID MNXM740477 reference sabiorkM:25321 formula C12H18N3O7S global charge -1 mol weight 348.357 InChIKey FVRWSIPJNWXCEO-UHFFFAOYSA-M InChI InChI=1S/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/p-1 SMILES CC(=O)SCC(N=C([O-])CCC(N)C(=O)O)C(O)=NCC(=O)O MNX internals InChI (mnx) InChI=1/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7?,8? SMILES (mnx) [CH3:1][C:6](=[O:16])[S:23][CH2:5][CH:8]([C:11](=[N:14][CH2:4][C:10](=[O:18])[OH:19])[OH:20])[N:15]=[C:9]([CH2:3][CH2:2][CH:7]([C:12](=[O:21])[OH:22])[NH2:13])[OH:17]

Parent-child relations graph

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