acetaminophen glutathione conjugate

Properties Image MNX_ID MNXM2629 reference chebi:32639 formula C18H24N4O8S global charge 0 mol weight 456.477 InChIKey VFNAXGMNFCUWCI-RYUDHWBXSA-N InChI InChI=1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1 SMILES CC(=O)NC1=CC=C(O)C(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)=C1 MNX internals InChI (mnx) InChI=1/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1 SMILES (mnx) [CH3:1][C:9](=[N:21][C:10]1=[CH:6][C:14]([S:31][CH2:8][C@@H:12]([C:17](=[N:20][CH2:7][C:16](=[O:26])[OH:27])[OH:28])[N:22]=[C:15]([CH2:5][CH2:3][C@@H:11]([C:18](=[O:29])[OH:30])[NH2:19])[OH:25])=[C:13]([OH:24])[CH:4]=[CH:2]1)[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 9