Cys-His-Asp

Properties Image MNX_ID MNXM1123985 reference chebi:161387 formula C13H19N5O6S global charge 0 mol weight 373.391 InChIKey ANRWXLYGJRSQEQ-CIUDSAMLSA-N InChI InChI=1S/C13H19N5O6S/c14-7(4-25)11(21)17-8(1-6-3-15-5-16-6)12(22)18-9(13(23)24)2-10(19)20/h3,5,7-9,25H,1-2,4,14H2,(H,15,16)(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1 SMILES N[C@@H](CS)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H19N5O6S/c14-7(4-25)11(21)17-8(1-6-3-15-5-16-6)12(22)18-9(13(23)24)2-10(19)20/h3,5,7-9,25H,1-2,4,14H2,(H,15,16)(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:3][N:15]=[CH:5][NH:16]1)[C@@H:8]([C:12](=[N:18][C@@H:9]([CH2:2][C:10](=[O:19])[OH:20])[C:13](=[O:23])[OH:24])[OH:22])[N:17]=[C:11]([C@H:7]([CH2:4][SH:25])[NH2:14])[OH:21]

Parent-child relations graph

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