Ile-Glu-Glu

Properties Image MNX_ID MNXM1120995 reference chebi:158382 formula C16H27N3O8 global charge 0 mol weight 389.405 InChIKey PHIXPNQDGGILMP-YVNDNENWSA-N InChI InChI=1S/C16H27N3O8/c1-3-8(2)13(17)15(25)18-9(4-6-11(20)21)14(24)19-10(16(26)27)5-7-12(22)23/h8-10,13H,3-7,17H2,1-2H3,(H,18,25)(H,19,24)(H,20,21)(H,22,23)(H,26,27)/t8-,9-,10-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H27N3O8/c1-3-8(2)13(17)15(25)18-9(4-6-11(20)21)14(24)19-10(16(26)27)5-7-12(22)23/h8-10,13H,3-7,17H2,1-2H3,(H,18,25)(H,19,24)(H,20,21)(H,22,23)(H,26,27)/t8-,9-,10-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@H:8]([CH3:2])[C@@H:13]([C:15](=[N:18][C@@H:9]([CH2:4][CH2:6][C:11](=[O:20])[OH:21])[C:14](=[N:19][C@@H:10]([CH2:5][CH2:7][C:12](=[O:22])[OH:23])[C:16](=[O:26])[OH:27])[OH:24])[OH:25])[NH2:17]

Parent-child relations graph

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