S-Pyruvylglutathione

Properties Image MNX_ID MNXM81332 reference sabiorkM:27656 formula C13H19N3O8S global charge 0 mol weight 377.375 InChIKey DLBGKCIHDLHLDZ-YUMQZZPRSA-N InChI InChI=1S/C13H19N3O8S/c1-6(17)13(24)25-5-8(12(23)15-4-10(20)21)16-11(22)7(14)2-3-9(18)19/h7-8H,2-5,14H2,1H3,(H,15,23)(H,16,22)(H,18,19)(H,20,21)/t7-,8-/m0/s1 SMILES CC(=O)C(=O)SC[C@H](N=C(O)[C@@H](N)CCC(=O)O)C(O)=NCC(=O)O MNX internals InChI (mnx) InChI=1/C13H19N3O8S/c1-6(17)13(24)25-5-8(12(23)15-4-10(20)21)16-11(22)7(14)2-3-9(18)19/h7-8H,2-5,14H2,1H3,(H,15,23)(H,16,22)(H,18,19)(H,20,21)/t7-,8-/m0/s1 SMILES (mnx) [CH3:1][C:6]([C:13](=[O:24])[S:25][CH2:5][C@@H:8]([C:12](=[N:15][CH2:4][C:10](=[O:20])[OH:21])[OH:23])[N:16]=[C:11]([C@H:7]([CH2:2][CH2:3][C:9](=[O:18])[OH:19])[NH2:14])[OH:22])=[O:17]

Parent-child relations graph

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