Glutathione-4-Hydroxynon-2-enal

Properties Image MNX_ID MNXM167830 reference sabiorkM:18818 formula C19H31N3O6S global charge 0 mol weight 429.539 InChIKey NEMPFZJORVSRGV-FEFFEBNSSA-N InChI InChI=1S/C19H31N3O6S/c1-2-3-4-6-13(7-5-10-23)16(24)11-21-18(26)15(12-29)22-17(25)9-8-14(20)19(27)28/h5,7,10,13-15,29H,2-4,6,8-9,11-12,20H2,1H3,(H,21,26)(H,22,25)(H,27,28)/b7-5+/t13?,14-,15-/m0/s1 SMILES CCCCCC(/C=C/C=O)C(=O)CN=C(O)[C@H](CS)N=C(O)CC[C@H](N)C(=O)O MNX internals InChI (mnx) InChI=1/C19H31N3O6S/c1-2-3-4-6-13(7-5-10-23)16(24)11-21-18(26)15(12-29)22-17(25)9-8-14(20)19(27)28/h5,7,10,13-15,29H,2-4,6,8-9,11-12,20H2,1H3,(H,21,26)(H,22,25)(H,27,28)/b7-5+/t13?,14-,15-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:6][CH:13](/[CH:7]=[CH:5]/[CH:10]=[O:23])[C:16]([CH2:11][N:21]=[C:18]([C@H:15]([CH2:12][SH:29])[N:22]=[C:17]([CH2:9][CH2:8][C@@H:14]([C:19](=[O:27])[OH:28])[NH2:20])[OH:25])[OH:26])=[O:24]

Parent-child relations graph

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