Glutathione conjugate of (+)-anti-BPDE

Properties Image Occurences in reactions MNX_ID MNXM167825 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C30H27N3O9S charge 0 mass 605.1468 reference sabiorkM:21102 InChIKey DUWOHLGCRJLRRU-HVYZTVOGSA-N InChI InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1 SMILES N[C@@H](CCC(O)=N[C@@H](CS[C@H]1c2c(cc3ccc4cccc5ccc2c3c45)C(=O)C(=O)[C@@H]1O)C(O)=NCC(=O)O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph