Asp-Pro-Glu

Properties Image MNX_ID MNXM1123439 reference chebi:160840 formula C14H21N3O8 global charge 0 mol weight 359.335 InChIKey AHWRSSLYSGLBGD-CIUDSAMLSA-N InChI InChI=1S/C14H21N3O8/c15-7(6-11(20)21)13(23)17-5-1-2-9(17)12(22)16-8(14(24)25)3-4-10(18)19/h7-9H,1-6,15H2,(H,16,22)(H,18,19)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 SMILES N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H21N3O8/c15-7(6-11(20)21)13(23)17-5-1-2-9(17)12(22)16-8(14(24)25)3-4-10(18)19/h7-9H,1-6,15H2,(H,16,22)(H,18,19)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][C@@H:9]([C:12](=[N:16][C@@H:8]([CH2:3][CH2:4][C:10](=[O:18])[OH:19])[C:14](=[O:24])[OH:25])[OH:22])[N:17]([C:13]([C@H:7]([CH2:6][C:11](=[O:20])[OH:21])[NH2:15])=[O:23])[CH2:5]1

Parent-child relations graph

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