Ala-Thr-Gln

Properties Image MNX_ID MNXM1121144 reference chebi:158531 formula C12H22N4O6 global charge 0 mol weight 318.33 InChIKey HCBKAOZYACJUEF-XQXXSGGOSA-N InChI InChI=1S/C12H22N4O6/c1-5(13)10(19)16-9(6(2)17)11(20)15-7(12(21)22)3-4-8(14)18/h5-7,9,17H,3-4,13H2,1-2H3,(H2,14,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6+,7-,9-/m0/s1 SMILES C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C12H22N4O6/c1-5(13)10(19)16-9(6(2)17)11(20)15-7(12(21)22)3-4-8(14)18/h5-7,9,17H,3-4,13H2,1-2H3,(H2,14,18)(H,15,20)(H,16,19)(H,21,22)/t5-,6+,7-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:5]([C:10](=[N:16][C@@H:9]([C@@H:6]([CH3:2])[OH:17])[C:11](=[N:15][C@@H:7]([CH2:3][CH2:4][C:8](=[NH:14])[OH:18])[C:12](=[O:21])[OH:22])[OH:20])[OH:19])[NH2:13]

Parent-child relations graph

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