Chemical Formula: C5H4N4O2

Chemical Formula C5H4N4O2

Found 41 metabolite its formula value is C5H4N4O2

Xanthine

2,3,6,7-tetrahydro-1H-purine-2,6-dione

C5H4N4O2 (152.0334244)


Xanthine, also known as 2,6-dioxopurine, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. Xanthine is also classified as an oxopurine. An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. Xanthine exists in all living species, ranging from bacteria to plants to humans. In plants, several stimulants can be derived from xanthine, including caffeine, theophylline, and theobromine. Derivatives of xanthine (known collectively as xanthines) are a group of alkaloids commonly used for their effects as mild stimulants and as bronchodilators, notably in the treatment of asthma or influenza symptoms. Within humans, xanthine participates in a number of enzymatic reactions. In particular, xanthine can be biosynthesized from guanine; which is mediated by the enzyme guanine deaminase. In addition, xanthine and ribose 1-phosphate can be biosynthesized from xanthosine through the action of the enzyme purine nucleoside phosphorylase. In humans and other primates, xanthine can be converted to uric acid by the action of the xanthine oxidase enzyme. People with rare genetic disorders, specifically xanthinuria and Lesch–Nyhan syndrome, lack sufficient xanthine oxidase and cannot convert xanthine to uric acid. Individuals with xanthinuria have unusually high concentrations of xanthine in their blood and urine, which can lead to health problems such as renal failure and xanthine kidney stones. Individuals with Lesch-Nyhan syndrome have a deficiency of the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRT). The HGPRT deficiency causes a build-up of uric acid in all body fluids. This results in both high levels of uric acid in the blood and urine, associated with severe gout and kidney problems. Neurological signs include poor muscle control and moderate intellectual disability. 9H-xanthine is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. It has a role as a Saccharomyces cerevisiae metabolite. It is a tautomer of a 7H-xanthine. A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed) Xanthine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Xanthine is a natural product found in Beta vulgaris, Camellia sinensis var. assamica, and other organisms with data available. Xanthine is a purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed.). Xanthine is a metabolite found in or produced by Saccharomyces cerevisiae. A purine base found in most body tissues and fluids, certain plants, and some urinary calculi. It is an intermediate in the degradation of adenosine monophosphate to uric acid, being formed by oxidation of hypoxanthine. The methylated xanthine compounds caffeine, theobromine, and theophylline and their derivatives are used in medicine for their bronchodilator effects. (Dorland, 28th ed) An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].

   

Oxypurinol

1H,2H,4H,5H,6H-pyrazolo[3,4-d]pyrimidine-4,6-dione

C5H4N4O2 (152.0334244)


Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure. PMID: 15139781. Oxipurinol is a xanthine oxidase inhibitor. Oxipurinol is potentially used for treatment of congestive heart failure. C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 855; ORIGINAL_PRECURSOR_SCAN_NO 853 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 883; ORIGINAL_PRECURSOR_SCAN_NO 881 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 893; ORIGINAL_PRECURSOR_SCAN_NO 892 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 861; ORIGINAL_PRECURSOR_SCAN_NO 860 CONFIDENCE standard compound; INTERNAL_ID 864; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 894; ORIGINAL_PRECURSOR_SCAN_NO 892 Acquisition and generation of the data is financially supported in part by CREST/JST. Oxipurinol (Oxipurinol), the major active metabolite of Allopurinol, is an inhibitor of xanthine oxidase. Oxipurinol can be used to regulate blood urate levels and treat gout[1].

   

6,8-Dihydroxypurine

6,7,8,9-tetrahydro-3H-purine-6,8-dione

C5H4N4O2 (152.0334244)


6,8-Dihydroxypurine is an endogenous nucleoside found in human fluids. Purine bases are present in higher amounts in tumor-bearing patients compared to healthy controls. DNA hypermethylation is a common finding in malignant cells and has been explored as a therapeutic target for hypomethylating agents. When chemical bonds to DNA, the DNA becomes damaged and proper and complete replication cannot occur to make the normal intended cell. A DNA adduct is an abnormal piece of DNA covalently-bonded to a cancer-causing chemical. This has shown to be the start of a cancerous cell, or carcinogenesis. DNA adducts in scientific experiments are used as bio-markers and as such are themselves measured to reflect quantitatively, for comparison, the amount of cancer in the subject. (PMID: 3506820, 17044778, 17264127, 16799933).

   

Xanthine

Xanthine

C5H4N4O2 (152.0334244)


COVID info from COVID-19 Disease Map, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].

   

Xanthine

Xanthine

C5H4N4O2 (152.0334244)


COVID info from COVID-19 Disease Map, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LRFVTYWOQMYALW_STSL_0180_Xanthine_0500fmol_180506_S2_LC02_MS02_265; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].

   

Oxipurinol

1H-Pyrazolo[3,4-d]pyrimidine-4,6(2H,5H)-dione

C5H4N4O2 (152.0334244)


C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors Oxipurinol (Oxipurinol), the major active metabolite of Allopurinol, is an inhibitor of xanthine oxidase. Oxipurinol can be used to regulate blood urate levels and treat gout[1].

   

Xanthine (not validated)

Xanthine (not validated)

C5H4N4O2 (152.0334244)


Annotation level-2

   

Xanthine; LC-tDDA; CE10

Xanthine; LC-tDDA; CE10

C5H4N4O2 (152.0334244)


   

Xanthine; LC-tDDA; CE20

Xanthine; LC-tDDA; CE20

C5H4N4O2 (152.0334244)


   

Xanthine; LC-tDDA; CE30

Xanthine; LC-tDDA; CE30

C5H4N4O2 (152.0334244)


   

Xanthine; LC-tDDA; CE40

Xanthine; LC-tDDA; CE40

C5H4N4O2 (152.0334244)


   

Oxypurinol; LC-tDDA; CE10

Oxypurinol; LC-tDDA; CE10

C5H4N4O2 (152.0334244)


   

Oxypurinol; LC-tDDA; CE20

Oxypurinol; LC-tDDA; CE20

C5H4N4O2 (152.0334244)


   

Oxypurinol; LC-tDDA; CE30

Oxypurinol; LC-tDDA; CE30

C5H4N4O2 (152.0334244)


   

Oxypurinol; LC-tDDA; CE40

Oxypurinol; LC-tDDA; CE40

C5H4N4O2 (152.0334244)


   

Oxypurinol; AIF; CE0; MS2Dec

Oxypurinol; AIF; CE0; MS2Dec

C5H4N4O2 (152.0334244)


   

Oxypurinol; AIF; CE10; MS2Dec

Oxypurinol; AIF; CE10; MS2Dec

C5H4N4O2 (152.0334244)


   

Oxypurinol; AIF; CE30; MS2Dec

Oxypurinol; AIF; CE30; MS2Dec

C5H4N4O2 (152.0334244)


   

Oxypurinol; AIF; CE0; CorrDec

Oxypurinol; AIF; CE0; CorrDec

C5H4N4O2 (152.0334244)


   

Oxypurinol; AIF; CE10; CorrDec

Oxypurinol; AIF; CE10; CorrDec

C5H4N4O2 (152.0334244)


   

Oxypurinol; AIF; CE30; CorrDec

Oxypurinol; AIF; CE30; CorrDec

C5H4N4O2 (152.0334244)


   

8-Oxohypoxanthine

1H-Purine-6,8-dione,7,9-dihydro-

C5H4N4O2 (152.0334244)


   

1H-Imidazole-1-acetonitrile,2-nitro-(9CI)

1H-Imidazole-1-acetonitrile,2-nitro-(9CI)

C5H4N4O2 (152.0334244)


   

3a,7a-Dihydro-1H-imidazo(4,5-d)pyridazine-4,7-dione

3a,7a-Dihydro-1H-imidazo(4,5-d)pyridazine-4,7-dione

C5H4N4O2 (152.0334244)


   

2-Cyanoamino-4,6-dihydroxypyrimidine

2-Cyanoamino-4,6-dihydroxypyrimidine

C5H4N4O2 (152.0334244)


   

9H-Purin-6-ol, 1-oxide

9H-Purin-6-ol, 1-oxide

C5H4N4O2 (152.0334244)


   

1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione

1H-imidazo[1,5-a][1,3,5]triazine-2,4-dione

C5H4N4O2 (152.0334244)


   

1H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione

1H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione

C5H4N4O2 (152.0334244)


   

1H-1,2,3-Triazole,4-nitro-1-(2-propynyl)-(9CI)

1H-1,2,3-Triazole,4-nitro-1-(2-propynyl)-(9CI)

C5H4N4O2 (152.0334244)


   

1H-1,2,3-Triazole-4-carboxylicacid,5-cyano-,methylester(9CI)

1H-1,2,3-Triazole-4-carboxylicacid,5-cyano-,methylester(9CI)

C5H4N4O2 (152.0334244)


   

1H-Imidazole-4-carboxylicacid,2-amino-5-cyano-(9CI)

1H-Imidazole-4-carboxylicacid,2-amino-5-cyano-(9CI)

C5H4N4O2 (152.0334244)


   

9H-Purine-2,6-diol

9H-Purine-2,6-diol

C5H4N4O2 (152.0334244)


   

1-methyl-2-cyano-5-nitro-imidazole

1-methyl-2-cyano-5-nitro-imidazole

C5H4N4O2 (152.0334244)


   

Pyrazolo[1,5-a]-1,3,5-triazine-2,4(1H,3H)-dione

Pyrazolo[1,5-a]-1,3,5-triazine-2,4(1H,3H)-dione

C5H4N4O2 (152.0334244)


   

Hypoxanthine 3-N-oxide

Hypoxanthine 3-N-oxide

C5H4N4O2 (152.0334244)


An oxopurine that is 3,9-dihydro-6H-purine which is substituted by an oxo group at position 6 and in which the hydrogen attached to the nitrogen at position 3 is replaced by a hydroxy group. It is a major component of Schreckstoff, an alarm pheromone found in fish.

   

Xanthin

1-H-purine-2,6-dione, 3,7-dihydro(9CI)

C5H4N4O2 (152.0334244)


COVID info from COVID-19 Disease Map, PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3]. Xanthine, a plant alkaloid found in tea, coffee, and cocoa, is a mild stimulant of the central nervous system. Xanthine also acts as an intermediate product on the pathway of purine degradation[1][2][3].

   

7,9-Dihydro-1H-purine-6,8-dione

1H-Purine-6,8-dione,7,9-dihydro-

C5H4N4O2 (152.0334244)


   

7H-xanthine

7H-xanthine

C5H4N4O2 (152.0334244)


An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.

   

Alloxanthine

Alloxanthine

C5H4N4O2 (152.0334244)


A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6.