Gln-Asp-Glu

Properties Image MNX_ID MNXM1124588 reference chebi:161993 formula C14H22N4O9 global charge 0 mol weight 390.349 InChIKey IKDOHQHEFPPGJG-FXQIFTODSA-N InChI InChI=1S/C14H22N4O9/c15-6(1-3-9(16)19)12(24)18-8(5-11(22)23)13(25)17-7(14(26)27)2-4-10(20)21/h6-8H,1-5,15H2,(H2,16,19)(H,17,25)(H,18,24)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1 SMILES NC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H22N4O9/c15-6(1-3-9(16)19)12(24)18-8(5-11(22)23)13(25)17-7(14(26)27)2-4-10(20)21/h6-8H,1-5,15H2,(H2,16,19)(H,17,25)(H,18,24)(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:6]([C:12](=[N:18][C@@H:8]([CH2:5][C:11](=[O:22])[OH:23])[C:13](=[N:17][C@@H:7]([CH2:2][CH2:4][C:10](=[O:20])[OH:21])[C:14](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:15]

Parent-child relations graph

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