4-S-Glutathionyl-5,6-Dihydroxyindoline

Properties Image MNX_ID MNXM744448 reference biggM:4glu56dihdind formula C18H23N4O8S global charge -1 mol weight 455.469 InChIKey OWLBFEJNNSEXED-ONGXEEELSA-M InChI InChI=1S/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/p-1/t9-,11-/m0/s1 SMILES N[C@@H](CCC(=O)N[C@@H](CSC1=C2CCNC2=CC(O)=C1O)C(=O)NCC(=O)[O-])C(=O)O MNX internals InChI (mnx) InChI=1/C18H24N4O8S/c19-9(18(29)30)1-2-13(24)22-11(17(28)21-6-14(25)26)7-31-16-8-3-4-20-10(8)5-12(23)15(16)27/h5,9,11,20,23,27H,1-4,6-7,19H2,(H,21,28)(H,22,24)(H,25,26)(H,29,30)/t9-,11-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:13](=[N:22][C@@H:11]([CH2:7][S:31][C:16]1=[C:8]2[CH2:3][CH2:4][NH:20][C:10]2=[CH:5][C:12]([OH:23])=[C:15]1[OH:27])[C:17](=[N:21][CH2:6][C:14](=[O:25])[OH:26])[OH:28])[OH:24])[C@@H:9]([C:18](=[O:29])[OH:30])[NH2:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 4