His-Ser-Met

Properties Image MNX_ID MNXM1120569 reference chebi:157950 formula C14H23N5O5S global charge 0 mol weight 373.435 InChIKey BFOGZWSSGMLYKV-DCAQKATOSA-N InChI InChI=1S/C14H23N5O5S/c1-25-3-2-10(14(23)24)18-13(22)11(6-20)19-12(21)9(15)4-8-5-16-7-17-8/h5,7,9-11,20H,2-4,6,15H2,1H3,(H,16,17)(H,18,22)(H,19,21)(H,23,24)/t9-,10-,11-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N5O5S/c1-25-3-2-10(14(23)24)18-13(22)11(6-20)19-12(21)9(15)4-8-5-16-7-17-8/h5,7,9-11,20H,2-4,6,15H2,1H3,(H,16,17)(H,18,22)(H,19,21)(H,23,24)/t9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:25][CH2:3][CH2:2][C@@H:10]([C:14](=[O:23])[OH:24])[N:18]=[C:13]([C@H:11]([CH2:6][OH:20])[N:19]=[C:12]([C@H:9]([CH2:4][C:8]1=[CH:5][N:16]=[CH:7][NH:17]1)[NH2:15])[OH:21])[OH:22]

Parent-child relations graph

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