Tyr-Ala-Thr

Properties Image MNX_ID MNXM1127521 reference chebi:164948 formula C16H23N3O6 global charge 0 mol weight 353.375 InChIKey NOXKHHXSHQFSGJ-FQPOAREZSA-N InChI InChI=1S/C16H23N3O6/c1-8(14(22)19-13(9(2)20)16(24)25)18-15(23)12(17)7-10-3-5-11(21)6-4-10/h3-6,8-9,12-13,20-21H,7,17H2,1-2H3,(H,18,23)(H,19,22)(H,24,25)/t8-,9+,12-,13-/m0/s1 SMILES C[C@H](NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(=O)N[C@H](C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C16H23N3O6/c1-8(14(22)19-13(9(2)20)16(24)25)18-15(23)12(17)7-10-3-5-11(21)6-4-10/h3-6,8-9,12-13,20-21H,7,17H2,1-2H3,(H,18,23)(H,19,22)(H,24,25)/t8-,9+,12-,13-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:14](=[N:19][C@@H:13]([C@@H:9]([CH3:2])[OH:20])[C:16](=[O:24])[OH:25])[OH:22])[N:18]=[C:15]([C@H:12]([CH2:7][C:10]1=[CH:4][CH:6]=[C:11]([OH:21])[CH:5]=[CH:3]1)[NH2:17])[OH:23]

Parent-child relations graph

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