His-Gly-Gln

Properties Image MNX_ID MNXM1127062 reference chebi:164479 formula C13H20N6O5 global charge 0 mol weight 340.34 InChIKey CHZRWFUGWRTUOD-IUCAKERBSA-N InChI InChI=1S/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(22)17-5-11(21)19-9(13(23)24)1-2-10(15)20/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,22)(H,19,21)(H,23,24)/t8-,9-/m0/s1 SMILES NC(=O)CC[C@H](NC(=O)CNC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H20N6O5/c14-8(3-7-4-16-6-18-7)12(22)17-5-11(21)19-9(13(23)24)1-2-10(15)20/h4,6,8-9H,1-3,5,14H2,(H2,15,20)(H,16,18)(H,17,22)(H,19,21)(H,23,24)/t8-,9-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:10](=[NH:15])[OH:20])[C@@H:9]([C:13](=[O:23])[OH:24])[N:19]=[C:11]([CH2:5][N:17]=[C:12]([C@H:8]([CH2:3][C:7]1=[CH:4][N:16]=[CH:6][NH:18]1)[NH2:14])[OH:22])[OH:21]

Parent-child relations graph

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