Asp-Ser-His

Properties Image MNX_ID MNXM1123483 reference chebi:160884 formula C13H19N5O7 global charge 0 mol weight 357.323 InChIKey NBKLEMWHDLAUEM-CIUDSAMLSA-N InChI InChI=1S/C13H19N5O7/c14-7(2-10(20)21)11(22)18-9(4-19)12(23)17-8(13(24)25)1-6-3-15-5-16-6/h3,5,7-9,19H,1-2,4,14H2,(H,15,16)(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 SMILES N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H19N5O7/c14-7(2-10(20)21)11(22)18-9(4-19)12(23)17-8(13(24)25)1-6-3-15-5-16-6/h3,5,7-9,19H,1-2,4,14H2,(H,15,16)(H,17,23)(H,18,22)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:3][N:15]=[CH:5][NH:16]1)[C@@H:8]([C:13](=[O:24])[OH:25])[N:17]=[C:12]([C@H:9]([CH2:4][OH:19])[N:18]=[C:11]([C@H:7]([CH2:2][C:10](=[O:20])[OH:21])[NH2:14])[OH:22])[OH:23]

Parent-child relations graph

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