Thr-Ala-Glu

Properties Image MNX_ID MNXM1126210 reference chebi:163624 formula C12H21N3O7 global charge 0 mol weight 319.314 InChIKey FQPQPTHMHZKGFM-XQXXSGGOSA-N InChI InChI=1S/C12H21N3O7/c1-5(14-11(20)9(13)6(2)16)10(19)15-7(12(21)22)3-4-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t5-,6+,7-,9-/m0/s1 SMILES C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O7/c1-5(14-11(20)9(13)6(2)16)10(19)15-7(12(21)22)3-4-8(17)18/h5-7,9,16H,3-4,13H2,1-2H3,(H,14,20)(H,15,19)(H,17,18)(H,21,22)/t5-,6+,7-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:5]([C:10](=[N:15][C@@H:7]([CH2:3][CH2:4][C:8](=[O:17])[OH:18])[C:12](=[O:21])[OH:22])[OH:19])[N:14]=[C:11]([C@H:9]([C@@H:6]([CH3:2])[OH:16])[NH2:13])[OH:20]

Parent-child relations graph

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