Ile-Asp-Ala

Properties Image MNX_ID MNXM1120862 reference chebi:158248 formula C13H23N3O6 global charge 0 mol weight 317.342 InChIKey RPZFUIQVAPZLRH-GHCJXIJMSA-N InChI InChI=1S/C13H23N3O6/c1-4-6(2)10(14)12(20)16-8(5-9(17)18)11(19)15-7(3)13(21)22/h6-8,10H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O MNX internals InChI (mnx) InChI=1/C13H23N3O6/c1-4-6(2)10(14)12(20)16-8(5-9(17)18)11(19)15-7(3)13(21)22/h6-8,10H,4-5,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:6]([CH3:2])[C@@H:10]([C:12](=[N:16][C@@H:8]([CH2:5][C:9](=[O:17])[OH:18])[C:11](=[N:15][C@@H:7]([CH3:3])[C:13](=[O:21])[OH:22])[OH:19])[OH:20])[NH2:14]

Parent-child relations graph

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