Cys-Glu-His

Properties Image MNX_ID MNXM1123915 reference chebi:161317 formula C14H21N5O6S global charge 0 mol weight 387.418 InChIKey UUOYKFNULIOCGJ-GUBZILKMSA-N InChI InChI=1S/C14H21N5O6S/c15-8(5-26)12(22)18-9(1-2-11(20)21)13(23)19-10(14(24)25)3-7-4-16-6-17-7/h4,6,8-10,26H,1-3,5,15H2,(H,16,17)(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t8-,9-,10-/m0/s1 SMILES N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H21N5O6S/c15-8(5-26)12(22)18-9(1-2-11(20)21)13(23)19-10(14(24)25)3-7-4-16-6-17-7/h4,6,8-10,26H,1-3,5,15H2,(H,16,17)(H,18,22)(H,19,23)(H,20,21)(H,24,25)/t8-,9-,10-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:11](=[O:20])[OH:21])[C@@H:9]([C:13](=[N:19][C@@H:10]([CH2:3][C:7]1=[CH:4][N:16]=[CH:6][NH:17]1)[C:14](=[O:24])[OH:25])[OH:23])[N:18]=[C:12]([C@H:8]([CH2:5][SH:26])[NH2:15])[OH:22]

Parent-child relations graph

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