5-(glutathion-S-yl)-1,2,4-trihydroxybenzene

Properties Image MNX_ID MNXM105460 reference metacycM:CPD0-2514 formula C16H20N3O9S global charge -1 mol weight 430.415 InChIKey ZVVUBKUWWRJUCX-YUMQZZPRSA-M InChI InChI=1S/C16H21N3O9S/c17-7(16(27)28)1-2-13(23)19-8(15(26)18-5-14(24)25)6-29-12-4-10(21)9(20)3-11(12)22/h3-4,7-8,20-22H,1-2,5-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/p-1/t7-,8-/m0/s1 SMILES [NH3+][C@@H](CCC(=O)N[C@@H](CSC1=CC(O)=C(O)C=C1O)C(=O)NCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C16H21N3O9S/c17-7(16(27)28)1-2-13(23)19-8(15(26)18-5-14(24)25)6-29-12-4-10(21)9(20)3-11(12)22/h3-4,7-8,20-22H,1-2,5-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:13](=[N:19][C@@H:8]([CH2:6][S:29][C:12]1=[C:11]([OH:22])[CH:3]=[C:9]([OH:20])[C:10]([OH:21])=[CH:4]1)[C:15](=[N:18][CH2:5][C:14](=[O:24])[OH:25])[OH:26])[OH:23])[C@@H:7]([C:16](=[O:27])[OH:28])[NH2:17]

Parent-child relations graph

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