Cycotiamine (JAN/INN)

Properties Image MNX_ID MNXM48246 reference keggD:D09805 formula C13H16N4O3S global charge 0 mol weight 308.363 InChIKey LLJDJQYGZBQFIF-FLIBITNWSA-N InChI InChI=1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)/b11-8- SMILES CC1=NC(N)=C(CN(C=O)/C(C)=C2/CCOC(=O)S2)C=N1 MNX internals InChI (mnx) InChI=1/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)/b11-8- SMILES (mnx) [CH3:1]/[C:8](=[C:11]1\[CH2:3][CH2:4][O:20][C:13](=[O:19])[S:21]1)[N:17]([CH2:6][C:10]1=[CH:5][N:15]=[C:9]([CH3:2])[NH:16][C:12]1=[NH:14])[CH:7]=[O:18]

Parent-child relations graph

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