Ile-Asp-Glu

Properties Image MNX_ID MNXM1120874 reference chebi:158260 formula C15H25N3O8 global charge 0 mol weight 375.378 InChIKey IDAHFEPYTJJZFD-PEFMBERDSA-N InChI InChI=1S/C15H25N3O8/c1-3-7(2)12(16)14(24)18-9(6-11(21)22)13(23)17-8(15(25)26)4-5-10(19)20/h7-9,12H,3-6,16H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1 SMILES CC[C@H](C)[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/C15H25N3O8/c1-3-7(2)12(16)14(24)18-9(6-11(21)22)13(23)17-8(15(25)26)4-5-10(19)20/h7-9,12H,3-6,16H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:7]([CH3:2])[C@@H:12]([C:14](=[N:18][C@@H:9]([CH2:6][C:11](=[O:21])[OH:22])[C:13](=[N:17][C@@H:8]([CH2:4][CH2:5][C:10](=[O:19])[OH:20])[C:15](=[O:25])[OH:26])[OH:23])[OH:24])[NH2:16]

Parent-child relations graph

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