Gln-Glu-Cys

Properties Image MNX_ID MNXM1124700 reference chebi:162105 formula C13H22N4O7S global charge 0 mol weight 378.407 InChIKey DDNIZQDYXDENIT-FXQIFTODSA-N InChI InChI=1S/C13H22N4O7S/c14-6(1-3-9(15)18)11(21)16-7(2-4-10(19)20)12(22)17-8(5-25)13(23)24/h6-8,25H,1-5,14H2,(H2,15,18)(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C13H22N4O7S/c14-6(1-3-9(15)18)11(21)16-7(2-4-10(19)20)12(22)17-8(5-25)13(23)24/h6-8,25H,1-5,14H2,(H2,15,18)(H,16,21)(H,17,22)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH2:1]([CH2:3][C:9](=[NH:15])[OH:18])[C@@H:6]([C:11](=[N:16][C@@H:7]([CH2:2][CH2:4][C:10](=[O:19])[OH:20])[C:12](=[N:17][C@@H:8]([CH2:5][SH:25])[C:13](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:14]

Parent-child relations graph

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