S-Lactoylglutathionyl ethyl ester

Properties Image MNX_ID MNXM169068 reference sabiorkM:25819 formula C15H25N3O8S global charge 0 mol weight 407.445 InChIKey VILVDEKYFJPTDG-UTLUCORTSA-N InChI InChI=1S/C15H25N3O8S/c1-3-26-12(21)6-17-13(22)10(7-27-15(25)8(2)19)18-11(20)5-4-9(16)14(23)24/h8-10,19H,3-7,16H2,1-2H3,(H,17,22)(H,18,20)(H,23,24)/t8-,9+,10+/m1/s1 SMILES CCOC(=O)CN=C(O)[C@H](CSC(=O)[C@@H](C)O)N=C(O)CC[C@H](N)C(=O)O MNX internals InChI (mnx) InChI=1/C15H25N3O8S/c1-3-26-12(21)6-17-13(22)10(7-27-15(25)8(2)19)18-11(20)5-4-9(16)14(23)24/h8-10,19H,3-7,16H2,1-2H3,(H,17,22)(H,18,20)(H,23,24)/t8-,9+,10+/m1/s1 SMILES (mnx) [CH3:1][CH2:3][O:26][C:12]([CH2:6][N:17]=[C:13]([C@H:10]([CH2:7][S:27][C:15]([C@@H:8]([CH3:2])[OH:19])=[O:25])[N:18]=[C:11]([CH2:5][CH2:4][C@@H:9]([C:14](=[O:23])[OH:24])[NH2:16])[OH:20])[OH:22])=[O:21]

Parent-child relations graph

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