Histidyl-Cystyl-Cysteine

Properties Image MNX_ID MNXM744737 reference biggM:hiscyscys formula C12H19N5O4S2 global charge 0 mol weight 361.449 InChIKey UVUIXIVPKVMONA-HRDYMLBCSA-N InChI InChI=1S/C12H19N5O4S2/c13-7(1-6-2-14-5-15-6)10(18)16-8(3-22)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8+,9-/m1/s1 SMILES N[C@H](CC1=CNC=N1)C(=O)N[C@@H](CS)C(=O)N[C@H](CS)C(=O)O MNX internals InChI (mnx) InChI=1/C12H19N5O4S2/c13-7(1-6-2-14-5-15-6)10(18)16-8(3-22)11(19)17-9(4-23)12(20)21/h2,5,7-9,22-23H,1,3-4,13H2,(H,14,15)(H,16,18)(H,17,19)(H,20,21)/t7-,8+,9-/m1/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:2][N:14]=[CH:5][NH:15]1)[C@H:7]([C:10](=[N:16][C@@H:8]([CH2:3][SH:22])[C:11](=[N:17][C@H:9]([CH2:4][SH:23])[C:12](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3