2-(glutathion-S-yl)-2-carboxypropane

Properties Image MNX_ID MNXM125858 reference metacycM:CPD-17439 formula C14H21N3O8S global charge -2 mol weight 391.402 InChIKey JQWABENXVMJJMW-NPPUSCPJSA-L InChI InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/p-2/t7?,8-,9-/m0/s1 SMILES CC(CSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)/t7?,8-,9-/m0/s1 SMILES (mnx) [CH3:1][CH:7]([CH2:5][S:26][CH2:6][C@@H:9]([C:12](=[N:16][CH2:4][C:11](=[O:19])[OH:20])[OH:21])[N:17]=[C:10]([CH2:3][CH2:2][C@@H:8]([C:14](=[O:24])[OH:25])[NH2:15])[OH:18])[C:13](=[O:22])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0