1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene

Properties Image MNX_ID MNXM1104936 reference chebi:34100 formula C20H24N4O9S global charge 0 mol weight 496.498 InChIKey ASZHPHJDCUIIBF-RJXQQRCHSA-N InChI InChI=1S/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1 SMILES N[C@@H](CCC(=O)N[C@@H](CSC1C2=C(C=CC1O)C([N+](=O)[O-])=CC=C2)C(=O)NCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C20H24N4O9S/c21-12(20(30)31)5-7-16(26)23-13(19(29)22-8-17(27)28)9-34-18-11-2-1-3-14(24(32)33)10(11)4-6-15(18)25/h1-4,6,12-13,15,18,25H,5,7-9,21H2,(H,22,29)(H,23,26)(H,27,28)(H,30,31)/t12-,13-,15?,18?/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:11]2=[C:10]([CH:4]=[CH:6][CH:15]([OH:25])[CH:18]2[S:34][CH2:9][C@@H:13]([C:19](=[N:22][CH2:8][C:17](=[O:27])[OH:28])[OH:29])[N:23]=[C:16]([CH2:7][CH2:5][C@@H:12]([C:20](=[O:30])[OH:31])[NH2:21])[OH:26])[C:14]([N+:24]([O-:32])=[O:33])=[CH:3]1

Parent-child relations graph

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