Asp-Glu-Gln

Properties Image MNX_ID MNXM1123123 reference chebi:160523 formula C14H22N4O9 global charge 0 mol weight 390.349 InChIKey HSWYMWGDMPLTTH-FXQIFTODSA-N InChI InChI=1S/C14H22N4O9/c15-6(5-11(22)23)12(24)17-7(2-4-10(20)21)13(25)18-8(14(26)27)1-3-9(16)19/h6-8H,1-5,15H2,(H2,16,19)(H,17,24)(H,18,25)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1 SMILES NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H22N4O9/c15-6(5-11(22)23)12(24)17-7(2-4-10(20)21)13(25)18-8(14(26)27)1-3-9(16)19/h6-8H,1-5,15H2,(H2,16,19)(H,17,24)(H,18,25)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH2:1]([CH2:3][C:9](=[NH:16])[OH:19])[C@@H:8]([C:14](=[O:26])[OH:27])[N:18]=[C:13]([C@H:7]([CH2:2][CH2:4][C:10](=[O:20])[OH:21])[N:17]=[C:12]([C@H:6]([CH2:5][C:11](=[O:22])[OH:23])[NH2:15])[OH:24])[OH:25]

Parent-child relations graph

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