3-(glutathion-S-yl)-4-hydroxynonanal

Properties Image MNX_ID MNXM97408 reference chebi:234318 formula C19H32N3O8S global charge -1 mol weight 462.545 InChIKey NOKRNJLENDLSKM-HESLUPGFSA-M InChI InChI=1S/C19H33N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h9,12-15,24H,2-8,10-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/p-1/t12-,13-,14?,15?/m0/s1 SMILES CCCCCC(O)C(CC=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C19H33N3O8S/c1-2-3-4-5-14(24)15(8-9-23)31-11-13(18(28)21-10-17(26)27)22-16(25)7-6-12(20)19(29)30/h9,12-15,24H,2-8,10-11,20H2,1H3,(H,21,28)(H,22,25)(H,26,27)(H,29,30)/t12-,13-,14?,15?/m0/s1 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:14]([CH:15]([CH2:8][CH:9]=[O:23])[S:31][CH2:11][C@@H:13]([C:18](=[N:21][CH2:10][C:17](=[O:26])[OH:27])[OH:28])[N:22]=[C:16]([CH2:7][CH2:6][C@@H:12]([C:19](=[O:29])[OH:30])[NH2:20])[OH:25])[OH:24]

Parent-child relations graph

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