Ala-Thr-His

Properties Image MNX_ID MNXM1121150 reference chebi:158537 formula C13H21N5O5 global charge 0 mol weight 327.341 InChIKey AAWLEICNDUHIJM-MBLNEYKQSA-N InChI InChI=1S/C13H21N5O5/c1-6(14)11(20)18-10(7(2)19)12(21)17-9(13(22)23)3-8-4-15-5-16-8/h4-7,9-10,19H,3,14H2,1-2H3,(H,15,16)(H,17,21)(H,18,20)(H,22,23)/t6-,7+,9-,10-/m0/s1 SMILES C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C13H21N5O5/c1-6(14)11(20)18-10(7(2)19)12(21)17-9(13(22)23)3-8-4-15-5-16-8/h4-7,9-10,19H,3,14H2,1-2H3,(H,15,16)(H,17,21)(H,18,20)(H,22,23)/t6-,7+,9-,10-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:11](=[N:18][C@@H:10]([C@@H:7]([CH3:2])[OH:19])[C:12](=[N:17][C@@H:9]([CH2:3][C:8]1=[CH:4][N:15]=[CH:5][NH:16]1)[C:13](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:14]

Parent-child relations graph

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