His-Ser-Gln

Properties Image MNX_ID MNXM1120555 reference chebi:157936 formula C14H22N6O6 global charge 0 mol weight 370.366 InChIKey PLCAEMGSYOYIPP-GUBZILKMSA-N InChI InChI=1S/C14H22N6O6/c15-8(3-7-4-17-6-18-7)12(23)20-10(5-21)13(24)19-9(14(25)26)1-2-11(16)22/h4,6,8-10,21H,1-3,5,15H2,(H2,16,22)(H,17,18)(H,19,24)(H,20,23)(H,25,26)/t8-,9-,10-/m0/s1 SMILES NC(=O)CC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H22N6O6/c15-8(3-7-4-17-6-18-7)12(23)20-10(5-21)13(24)19-9(14(25)26)1-2-11(16)22/h4,6,8-10,21H,1-3,5,15H2,(H2,16,22)(H,17,18)(H,19,24)(H,20,23)(H,25,26)/t8-,9-,10-/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][C:11](=[NH:16])[OH:22])[C@@H:9]([C:14](=[O:25])[OH:26])[N:19]=[C:13]([C@H:10]([CH2:5][OH:21])[N:20]=[C:12]([C@H:8]([CH2:3][C:7]1=[CH:4][N:17]=[CH:6][NH:18]1)[NH2:15])[OH:23])[OH:24]

Parent-child relations graph

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