Asn-Ser-Met

Properties Image MNX_ID MNXM1122706 reference chebi:160100 formula C12H22N4O6S global charge 0 mol weight 350.397 InChIKey ZNYKKCADEQAZKA-FXQIFTODSA-N InChI InChI=1S/C12H22N4O6S/c1-23-3-2-7(12(21)22)15-11(20)8(5-17)16-10(19)6(13)4-9(14)18/h6-8,17H,2-5,13H2,1H3,(H2,14,18)(H,15,20)(H,16,19)(H,21,22)/t6-,7-,8-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22N4O6S/c1-23-3-2-7(12(21)22)15-11(20)8(5-17)16-10(19)6(13)4-9(14)18/h6-8,17H,2-5,13H2,1H3,(H2,14,18)(H,15,20)(H,16,19)(H,21,22)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH3:1][S:23][CH2:3][CH2:2][C@@H:7]([C:12](=[O:21])[OH:22])[N:15]=[C:11]([C@H:8]([CH2:5][OH:17])[N:16]=[C:10]([C@H:6]([CH2:4][C:9](=[NH:14])[OH:18])[NH2:13])[OH:19])[OH:20]

Parent-child relations graph

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