6-(glutathion-S-yl)-2-methylhydroquinone

Properties Image MNX_ID MNXM98439 reference metacycM:CPD0-2511 formula C17H22N3O8S global charge -1 mol weight 428.443 InChIKey CGHFSBDRIVGZLL-QWRGUYRKSA-M InChI InChI=1S/C17H23N3O8S/c1-8-4-9(21)5-12(15(8)25)29-7-11(16(26)19-6-14(23)24)20-13(22)3-2-10(18)17(27)28/h4-5,10-11,21,25H,2-3,6-7,18H2,1H3,(H,19,26)(H,20,22)(H,23,24)(H,27,28)/p-1/t10-,11-/m0/s1 SMILES CC1=C(O)C(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C17H23N3O8S/c1-8-4-9(21)5-12(15(8)25)29-7-11(16(26)19-6-14(23)24)20-13(22)3-2-10(18)17(27)28/h4-5,10-11,21,25H,2-3,6-7,18H2,1H3,(H,19,26)(H,20,22)(H,23,24)(H,27,28)/t10-,11-/m0/s1 SMILES (mnx) [CH3:1][C:8]1=[CH:4][C:9]([OH:21])=[CH:5][C:12]([S:29][CH2:7][C@@H:11]([C:16](=[N:19][CH2:6][C:14](=[O:23])[OH:24])[OH:26])[N:20]=[C:13]([CH2:3][CH2:2][C@@H:10]([C:17](=[O:27])[OH:28])[NH2:18])[OH:22])=[C:15]1[OH:25]

Parent-child relations graph

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