Ile-Glu-Thr

Properties Image MNX_ID MNXM1121015 reference chebi:158402 formula C15H27N3O7 global charge 0 mol weight 361.395 InChIKey PNDMHTTXXPUQJH-RWRJDSDZSA-N InChI InChI=1S/C15H27N3O7/c1-4-7(2)11(16)14(23)17-9(5-6-10(20)21)13(22)18-12(8(3)19)15(24)25/h7-9,11-12,19H,4-6,16H2,1-3H3,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C15H27N3O7/c1-4-7(2)11(16)14(23)17-9(5-6-10(20)21)13(22)18-12(8(3)19)15(24)25/h7-9,11-12,19H,4-6,16H2,1-3H3,(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8+,9-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][CH2:4][C@H:7]([CH3:2])[C@@H:11]([C:14](=[N:17][C@@H:9]([CH2:5][CH2:6][C:10](=[O:20])[OH:21])[C:13](=[N:18][C@@H:12]([C@@H:8]([CH3:3])[OH:19])[C:15](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:16]

Parent-child relations graph

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