Met-His-Glu

Properties Image MNX_ID MNXM1123376 reference chebi:160777 formula C16H25N5O6S global charge 0 mol weight 415.472 InChIKey RKIIYGUHIQJCBW-SRVKXCTJSA-N InChI InChI=1S/C16H25N5O6S/c1-28-5-4-10(17)14(24)21-12(6-9-7-18-8-19-9)15(25)20-11(16(26)27)2-3-13(22)23/h7-8,10-12H,2-6,17H2,1H3,(H,18,19)(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H25N5O6S/c1-28-5-4-10(17)14(24)21-12(6-9-7-18-8-19-9)15(25)20-11(16(26)27)2-3-13(22)23/h7-8,10-12H,2-6,17H2,1H3,(H,18,19)(H,20,25)(H,21,24)(H,22,23)(H,26,27)/t10-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][S:28][CH2:5][CH2:4][C@@H:10]([C:14](=[N:21][C@@H:12]([CH2:6][C:9]1=[CH:7][N:18]=[CH:8][NH:19]1)[C:15](=[N:20][C@@H:11]([CH2:2][CH2:3][C:13](=[O:22])[OH:23])[C:16](=[O:26])[OH:27])[OH:25])[OH:24])[NH2:17]

Parent-child relations graph

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