Description
An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.
Chemical properties
| Chemical formula | Net charge | Average mass |
|---|---|---|
| C5H4N4O2 | 0 | 152.111 |
Nomenclature
| IUPAC | SMILES | InChI | InChIKey | Synonyms |
|---|---|---|---|---|
| 3,9-dihydro-1H-purine-2,6-dione | O=c1[nH]c2[nH]cnc2c(=O)[nH]1 | InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11) | LRFVTYWOQMYALW-UHFFFAOYSA-N |
|
Citations
- Roux, A, et al. 2012. Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. Analytical Chemistry. 84(15).