Glycyl-Histidyl-Asparagine

Properties Image MNX_ID MNXM744723 reference biggM:glyhisasn formula C12H18N6O5 global charge 0 mol weight 326.313 InChIKey AYBKPDHHVADEDA-JGVFFNPUSA-N InChI InChI=1S/C12H18N6O5/c13-3-10(20)17-7(1-6-4-15-5-16-6)11(21)18-8(12(22)23)2-9(14)19/h4-5,7-8H,1-3,13H2,(H2,14,19)(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t7-,8+/m0/s1 SMILES NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H18N6O5/c13-3-10(20)17-7(1-6-4-15-5-16-6)11(21)18-8(12(22)23)2-9(14)19/h4-5,7-8H,1-3,13H2,(H2,14,19)(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t7-,8+/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:4][N:15]=[CH:5][NH:16]1)[C@@H:7]([C:11](=[N:18][C@H:8]([CH2:2][C:9](=[NH:14])[OH:19])[C:12](=[O:22])[OH:23])[OH:21])[N:17]=[C:10]([CH2:3][NH2:13])[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3