Asp-Met-Ser

Properties Image MNX_ID MNXM1123377 reference chebi:160778 formula C12H21N3O7S global charge 0 mol weight 351.381 InChIKey IOXWDLNHXZOXQP-FXQIFTODSA-N InChI InChI=1S/C12H21N3O7S/c1-23-3-2-7(11(20)15-8(5-16)12(21)22)14-10(19)6(13)4-9(17)18/h6-8,16H,2-5,13H2,1H3,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t6-,7-,8-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O7S/c1-23-3-2-7(11(20)15-8(5-16)12(21)22)14-10(19)6(13)4-9(17)18/h6-8,16H,2-5,13H2,1H3,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][S:23][CH2:3][CH2:2][C@@H:7]([C:11](=[N:15][C@@H:8]([CH2:5][OH:16])[C:12](=[O:21])[OH:22])[OH:20])[N:14]=[C:10]([C@H:6]([CH2:4][C:9](=[O:17])[OH:18])[NH2:13])[OH:19]

Parent-child relations graph

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