His-Asn-Met

Properties Image MNX_ID MNXM1126875 reference chebi:164292 formula C15H24N6O5S global charge 0 mol weight 400.461 InChIKey VIVSWEBJUHXCDS-DCAQKATOSA-N InChI InChI=1S/C15H24N6O5S/c1-27-3-2-10(15(25)26)20-14(24)11(5-12(17)22)21-13(23)9(16)4-8-6-18-7-19-8/h6-7,9-11H,2-5,16H2,1H3,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10-,11-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H24N6O5S/c1-27-3-2-10(15(25)26)20-14(24)11(5-12(17)22)21-13(23)9(16)4-8-6-18-7-19-8/h6-7,9-11H,2-5,16H2,1H3,(H2,17,22)(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:27][CH2:3][CH2:2][C@@H:10]([C:15](=[O:25])[OH:26])[N:20]=[C:14]([C@H:11]([CH2:5][C:12](=[NH:17])[OH:22])[N:21]=[C:13]([C@H:9]([CH2:4][C:8]1=[CH:6][N:18]=[CH:7][NH:19]1)[NH2:16])[OH:23])[OH:24]

Parent-child relations graph

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