Ile-Val-Glu

Properties Image MNX_ID MNXM1121513 reference chebi:158901 formula C16H29N3O6 global charge 0 mol weight 359.423 InChIKey YWCJXQKATPNPOE-UKJIMTQDSA-N InChI InChI=1S/C16H29N3O6/c1-5-9(4)12(17)14(22)19-13(8(2)3)15(23)18-10(16(24)25)6-7-11(20)21/h8-10,12-13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,12-,13-/m0/s1 SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C16H29N3O6/c1-5-9(4)12(17)14(22)19-13(8(2)3)15(23)18-10(16(24)25)6-7-11(20)21/h8-10,12-13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH2:5][C@H:9]([CH3:4])[C@@H:12]([C:14](=[N:19][C@@H:13]([CH:8]([CH3:2])[CH3:3])[C:15](=[N:18][C@@H:10]([CH2:6][CH2:7][C:11](=[O:20])[OH:21])[C:16](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:17]

Parent-child relations graph

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