Asp-His-Asp

Properties Image MNX_ID MNXM1123195 reference chebi:160595 formula C14H19N5O8 global charge 0 mol weight 385.333 InChIKey OGTCOKZFOJIZFG-CIUDSAMLSA-N InChI InChI=1S/C14H19N5O8/c15-7(2-10(20)21)12(24)18-8(1-6-4-16-5-17-6)13(25)19-9(14(26)27)3-11(22)23/h4-5,7-9H,1-3,15H2,(H,16,17)(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1 SMILES N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H19N5O8/c15-7(2-10(20)21)12(24)18-8(1-6-4-16-5-17-6)13(25)19-9(14(26)27)3-11(22)23/h4-5,7-9H,1-3,15H2,(H,16,17)(H,18,24)(H,19,25)(H,20,21)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:4][N:16]=[CH:5][NH:17]1)[C@@H:8]([C:13](=[N:19][C@@H:9]([CH2:3][C:11](=[O:22])[OH:23])[C:14](=[O:26])[OH:27])[OH:25])[N:18]=[C:12]([C@H:7]([CH2:2][C:10](=[O:20])[OH:21])[NH2:15])[OH:24]

Parent-child relations graph

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