IUPAC 名称
1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
描述
1,3,7-trimethyluric acid, also known as 8-oxy-caffeine or 137-trimethylate, is a member of the class of compounds known as xanthines. Xanthines are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. 1,3,7-trimethyluric acid is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,3,7-trimethyluric acid can be found in a number of food items such as devilfish, allium (onion), cocoa bean, and epazote, which makes 1,3,7-trimethyluric acid a potential biomarker for the consumption of these food products. 1,3,7-trimethyluric acid can be found primarily in blood, feces, and urine, as well as in human kidney and liver tissues. In humans, 1,3,7-trimethyluric acid is involved in the caffeine metabolism. Moreover, 1,3,7-trimethyluric acid is found to be associated with asthma. 1,3,7-Trimethyluric acid, also referred to as trimethyluric acid and 8-oxy-caffeine, is a purine alkaloid that is produced in some plants and occurs as a minor metabolite of caffeine in humans. The enzymes that metabolize caffeine into 1,3,7-trimethyluric acid in humans include CYP1A2, CYP2E1, CYP2C8, CYP2C9, and CYP3A4 .
InChI标识符
InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)