Cys-Thr-Glu

Properties Image MNX_ID MNXM1124309 reference chebi:161713 formula C12H21N3O7S global charge 0 mol weight 351.381 InChIKey JLZCAZJGWNRXCI-XKBZYTNZSA-N InChI InChI=1S/C12H21N3O7S/c1-5(16)9(15-10(19)6(13)4-23)11(20)14-7(12(21)22)2-3-8(17)18/h5-7,9,16,23H,2-4,13H2,1H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t5-,6+,7+,9+/m1/s1 SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O7S/c1-5(16)9(15-10(19)6(13)4-23)11(20)14-7(12(21)22)2-3-8(17)18/h5-7,9,16,23H,2-4,13H2,1H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t5-,6+,7+,9+/m1/s1 SMILES (mnx) [CH3:1][C@H:5]([C@@H:9]([C:11](=[N:14][C@@H:7]([CH2:2][CH2:3][C:8](=[O:17])[OH:18])[C:12](=[O:21])[OH:22])[OH:20])[N:15]=[C:10]([C@H:6]([CH2:4][SH:23])[NH2:13])[OH:19])[OH:16]

Parent-child relations graph

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