2-(glutathion-S-yl)-propene

Properties Image MNX_ID MNXM148252 reference metacycM:CPD-17444 formula C13H20N3O6S global charge -1 mol weight 346.385 InChIKey HYWLPDOKCGRIQZ-IUCAKERBSA-M InChI InChI=1S/C13H21N3O6S/c1-2-5-23-7-9(12(20)15-6-11(18)19)16-10(17)4-3-8(14)13(21)22/h2,8-9H,1,3-7,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/p-1/t8-,9-/m0/s1 SMILES C=CCSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C13H21N3O6S/c1-2-5-23-7-9(12(20)15-6-11(18)19)16-10(17)4-3-8(14)13(21)22/h2,8-9H,1,3-7,14H2,(H,15,20)(H,16,17)(H,18,19)(H,21,22)/t8-,9-/m0/s1 SMILES (mnx) [CH2:1]=[CH:2][CH2:5][S:23][CH2:7][C@@H:9]([C:12](=[N:15][CH2:6][C:11](=[O:18])[OH:19])[OH:20])[N:16]=[C:10]([CH2:4][CH2:3][C@@H:8]([C:13](=[O:21])[OH:22])[NH2:14])[OH:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0