Asp-Gly-His

Properties Image MNX_ID MNXM1123167 reference chebi:160567 formula C12H17N5O6 global charge 0 mol weight 327.297 InChIKey ZSVJVIOVABDTTL-YUMQZZPRSA-N InChI InChI=1S/C12H17N5O6/c13-7(2-10(19)20)11(21)15-4-9(18)17-8(12(22)23)1-6-3-14-5-16-6/h3,5,7-8H,1-2,4,13H2,(H,14,16)(H,15,21)(H,17,18)(H,19,20)(H,22,23)/t7-,8-/m0/s1 SMILES N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C12H17N5O6/c13-7(2-10(19)20)11(21)15-4-9(18)17-8(12(22)23)1-6-3-14-5-16-6/h3,5,7-8H,1-2,4,13H2,(H,14,16)(H,15,21)(H,17,18)(H,19,20)(H,22,23)/t7-,8-/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:3][N:14]=[CH:5][NH:16]1)[C@@H:8]([C:12](=[O:22])[OH:23])[N:17]=[C:9]([CH2:4][N:15]=[C:11]([C@H:7]([CH2:2][C:10](=[O:19])[OH:20])[NH2:13])[OH:21])[OH:18]

Parent-child relations graph

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