xanthine-8-carboxylate

Properties Image MNX_ID MNXM4880 reference chebi:16806 formula C6H3N4O4 global charge -1 mol weight 195.114 InChIKey VRZJGNXBSRQZGM-UHFFFAOYSA-M InChI InChI=1S/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)/p-1 SMILES O=C1NC(=O)C2=C(N=C(C(=O)[O-])N2)N1 MNX internals InChI (mnx) InChI=1/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14) SMILES (mnx) [C:1]12=[C:2]([NH:8][C:3]([C:5]([OH:12])=[O:13])=[N:7]1)[N:9]=[C:6]([OH:14])[N:10]=[C:4]2[OH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0