Exact Mass: 166.0452

Exact Mass Matches: 166.0452

Found 500 metabolites which its exact mass value is equals to given mass value 166.0452, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

1-Methylxanthine

2-hydroxy-1-methyl-6,9-dihydro-1H-purin-6-one

C6H6N4O2 (166.0491)

1-Methylxanthine is one of the major metabolites of caffeine in humans. The oxidation of 1-methylxanthine to 1-methyluric acid occurs so rapidly that the parent compound could not be detected in plasma, and only low concentrations could be detected in the brain (PMID: 28863020). 1-methylxanthine is the major metabolites of caffeine in the human. The oxidation of 1-methylxanthine to 1-methyluric acid occurred so rapidly that the parent compound could not be detected in plasma, and only low concentrations could be detected in brain. (PMID: 28863020 [HMDB] 1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2]. 1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2].

3-Methylxanthine

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

C6H6N4O2 (166.0491)

3-methyl-9H-xanthine is a 3-methylxanthine tautomer where the imidazole proton is located at the 9-position. It has a role as a metabolite. It is a tautomer of a 3-methyl-7H-xanthine. 3-Methylxanthine, also known as 3 MX or purine analog, 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. 3-Methylxanthine is a caffeine and a theophylline metabolite. (PMID 16870158, 16678550) 3-Methylxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1076-22-8 (retrieved 2024-07-02) (CAS RN: 1076-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle. 3-Methylxanthine, a xanthine derivative, is a cyclic guanosine monophosphate (GMP) inhibitor, with an IC50 of 920 μM on guinea-pig isolated trachealis muscle.

6-Methylmercaptopurine

6-(methylsulfanyl)-9H-purine

C6H6N4S (166.0313)

6-Methylmercaptopurine is a metabolite of mercaptopurine. Mercaptopurine (also called 6-mercaptopurine, 6-MP or its brand name Purinethol) is an immunosuppressive drug. It is a thiopurine. (Wikipedia) KEIO_ID M104

Ethionamide

2-ethylpyridine-4-carbothioamide

C8H10N2S (166.0565)

Ethionamide is only found in individuals that have used or taken this drug. It is a second-line antitubercular agent that inhibits mycolic acid synthesis. It also may be used for treatment of leprosy. (From Smith and Reynard, Textbook of Pharmacology, 1992, p868)Ethionamide may be bacteriostatic or bactericidal in action, depending on the concentration of the drug attained at the site of infection and the susceptibility of the infecting organism. Ethionamide, like prothionamide and pyrazinamide, is a nicotinic acid derivative related to isoniazid. It is thought that ethionamide undergoes intracellular modification and acts in a similar fashion to isoniazid. Isoniazid inhibits the synthesis of mycoloic acids, an essential component of the bacterial cell wall. Specifically isoniazid inhibits InhA, the enoyl reductase from Mycobacterium tuberculosis, by forming a covalent adduct with the NAD cofactor. It is the INH-NAD adduct that acts as a slow, tight-binding competitive inhibitor of InhA. Ethionamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=536-33-4 (retrieved 2024-07-12) (CAS RN: 536-33-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Ethionamide (2-ethylthioisonicotinamide) is a second-line anti-tuberculosis antibiotic.

D-Xylonic acid

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid

C5H10O6 (166.0477)

D-Xylonic acid belongs to the family of hydroxy fatty acids. These are fatty acids in which the chain bears an hydroxyl group. D-Xylonic acid has been identified in the human placenta (PMID: 32033212).

4-Hydroxy-3-nitrosobenzamide

C7H6N2O3 (166.0378)

isopentenyl phosphate

C5H11O4P (166.0395)

prenyl phosphate

Dimethylallyl phosphate

C5H11O4P (166.0395)

Arabonate/xylonate

(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid

C5H10O6 (166.0477)

Arabinonic acid (CAS: 13752-83-5) is a substrate of L-arabinonate dehydratase [EC 4.2.1.25] in the pathway ascorbate and aldarate metabolism (KEGG). Arabinonic acid is a substrate of L-arabinonate dehydratase [EC 4.2.1.25] in pathway ascorbate and aldarate metabolism. (KEGG) [HMDB]

Ribonic acid

(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid

C5H10O6 (166.0477)

Ribonic acid (CAS: 17812-24-7) is a product of the enzyme ribose 1-dehydrogenase (NADP+) [EC 1.1.1.115] (KEGG). Ribonic acid is a product of the enzyme ribose 1-dehydrogenase (NADP+) [EC 1.1.1.115] (KEGG). [HMDB]

7-Methylxanthine

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

C6H6N4O2 (166.0491)

7-Methylxanthine is a methyl derivative of xanthine, found occasionally in human urine. 7-Methylxanthine is one of the purine components in urinary calculi. Methylated purines originate from the metabolism of methylxanthines (caffeine, theophylline and theobromine). Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites, including 7-methylxanthine. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. (PMID:11712316, 15833286, 3506820, 15013152). Found in sugar cane and other biol. sources, a urinary metabolite of caffeine in man 7-Methylxanthine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=552-62-5 (retrieved 2024-07-16) (CAS RN: 552-62-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi.

L-Lyxonic acid

(2R,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid

C5H10O6 (166.0477)

L-Lyxonic acid belongs to the family of sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

L-Xylonic acid

(2S,3R,4S)-2,3,4,5-tetrahydroxypentanoic acid

C5H10O6 (166.0477)

L-Xylonic acid belongs to the family of sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

L-Arabinonate

2R,3S,4S,5-tetraydroxy-pentanoic acid

C5H10O6 (166.0477)

D-apionate

C5H10O6 (166.0477)

S-Propyl 1-propanesulfinothioate

1-Propanesulphinothioic acid, S-propyl ester

C6H14OS2 (166.0486)

S-Propyl 1-propanesulfinothioate is found in onion-family vegetables. S-Propyl 1-propanesulfinothioate is isolated from onions, garlic and other allium Isolated from onions, garlic and other alliums. S-Propyl 1-propanesulfinothioate is found in onion-family vegetables.

Noradrenochrome o-semiquinone

(3,6-dihydroxy-2,3-dihydro-1H-indol-5-yl)oxidanyl

C8H8NO3 (166.0504)

Noradrenochrome o-semiquinone is a intermediate metabolite in the reduction of noradrenochrome. Noradrenochrome is an aminochrome and is closely related to adrenochrome and dopaminochrome. This compound is present in human brain, induces a combination of neurotoxic and mind-mood altering effect, and is therapeutic for the treatment of schizophrenia. noradrenochrome o-semiquinone is a intermediate metabolite in the reduction of noradrenochrome

9-Methylxanthine

9-methyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione

C6H6N4O2 (166.0491)

9-Methylxanthine is a diuretic agent that serves as a smooth muscle relexant and cardiac muscle and CNS stimulant. Clinically, it is employed as a bronchodilator. 9-Methylxanthine is found to be effective in treating apnea in preterm infants (PMID: 11686952). In another study, 9-Methylxanthine, as a chemical relatives of caffeine, is able to evoke contractures in mammalian heart. (PMID: 1226453)

6-Methyl-1,7-dihydro-2H-purine-2-thione

C6H6N4S (166.0313)

2-Methyl-6-thiopurine

2-methyl-9H-purine-6-thiol

C6H6N4S (166.0313)

3-Nitrobenzaldoxime

N-[(3-nitrophenyl)methylidene]hydroxylamine

C7H6N2O3 (166.0378)

9-Methylsulfanylpurine

9-(Methylsulphanyl)-9H-purine

C6H6N4S (166.0313)

Xylan

(2R,3R,5S,6S)-tetrahydropyran-2,3,4,5,6-pentol

C5H10O6 (166.0477)

Xylan is a group of hemicelluloses, representing the third most abundant biopolymer on Earth. It is found in plants, in the secondary cell walls of dicotyledonous plants and in all cell walls of grasses (monocotyledonous). Xylans are polysaccharides made up of ≈í‚â§-1,4-linked xylose (a pentose sugar) residues with side branches of ≈í¬±-arabinofuranose and ≈í¬±-glucuronic acids and contribute to cross-linking of cellulose microfibrils and lignin through ferulic acid residues. On the basis of the substituting groups, xylan can be categorized into three classes i) glucuronoxylan (GX) ii) neutral arabinoxylan (AX) and iii) glucuronoarabinoxylan (GAX). The quality of cereal flours and the hardness of dough are largely affected by the amount of xylan. Xylan is one of the foremost anti-nutritional factors in commonly used feedstuff raw materials. It is a major component of plant secondary cell walls which is a major source of renewable energy especially for second generation biofuels. However, since microorganisms like yeast cannot ferment pentoses naturally, xylose (the pentose backbone of xylan) results hard to ferment in biofuel production, reducing its use in renewable energy production (PMID: 18299887, PMID: 31077637). Occurs in all land plants, component of dietary roughage

Carpasemine

N-Benzylcarbamimidothioate

C8H10N2S (166.0565)

Carpasemine, also known as 1-benzylthiourea or benzylthiouronium chloride, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Carpasemine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carpasemine can be found in papaya, which makes carpasemine a potential biomarker for the consumption of this food product.

Phenyllactic acid

L-(-)-3-Phenyllactic acid