Histidyl-Glutaminyl-Alanine

Properties Image MNX_ID MNXM744738 reference biggM:hisglnala formula C14H22N6O5 global charge 0 mol weight 354.367 InChIKey UPGJWSUYENXOPV-QNSHHTMESA-N InChI InChI=1S/C14H22N6O5/c1-7(14(24)25)19-13(23)10(2-3-11(16)21)20-12(22)9(15)4-8-5-17-6-18-8/h5-7,9-10H,2-4,15H2,1H3,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t7-,9-,10+/m1/s1 SMILES C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CC1=CNC=N1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H22N6O5/c1-7(14(24)25)19-13(23)10(2-3-11(16)21)20-12(22)9(15)4-8-5-17-6-18-8/h5-7,9-10H,2-4,15H2,1H3,(H2,16,21)(H,17,18)(H,19,23)(H,20,22)(H,24,25)/t7-,9-,10+/m1/s1 SMILES (mnx) [CH3:1][C@H:7]([C:14](=[O:24])[OH:25])[N:19]=[C:13]([C@H:10]([CH2:2][CH2:3][C:11](=[NH:16])[OH:21])[N:20]=[C:12]([C@@H:9]([CH2:4][C:8]1=[CH:5][N:17]=[CH:6][NH:18]1)[NH2:15])[OH:22])[OH:23]

Parent-child relations graph

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