Exact Mass: 201.9854
Exact Mass Matches: 201.9854
Found 477 metabolites which its exact mass value is equals to given mass value 201.9854,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bergaptol
Bergaptol is a member of psoralens and a 5-hydroxyfurocoumarin. It is a conjugate acid of a bergaptol(1-). Bergaptol is a natural product found in Citrus canaliculata, Hansenia forbesii, and other organisms with data available. Bergaptol is a secondary metabolite of psoralen which has been hydroxylated by liver enzymes during phase I metabolism. Bergaptol is a biomarker for the consumption of citrus fruits. Present in various citrus subspecies Bergaptol is found in many foods, some of which are common hazelnut, hazelnut, alaska blueberry, and groundcherry. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties. Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties.
Xanthotoxol
Isolated from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip). Xanthotoxol is found in many foods, some of which are fats and oils, green vegetables, herbs and spices, and fig. Xanthotoxol is found in fats and oils. Xanthotoxol is isolated from Aegle marmelos (bael fruit), Angelica archangelica (angelica) and the seeds of Pastinaca sativa (parsnip Xanthotoxol is an 8-hydroxyfurocoumarin. Xanthotoxol is a natural product found in Citrus canaliculata, Prangos tschimganica, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. Xanthotoxol (8-Hydroxypsoralen) It is a kind of fragrant bean substance, and it is a CYP450 inhibitor. Xanthotoxol has anti-inflammatory, anti-inflammatory, and 5-HT antagonistic and protective effects. Xanthotoxol inhibited CYP3A4 sum CYP1A2 IC50s separation 7.43 μM sum 27.82 μM. Xanthotoxol can pass through MAPK and NF-κB, inhibiting inflammation[1][2][3][4]. Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects.
1-Chloro-2,4-dinitrobenzene
Dinitrochlorobenzene, also known as 4-chloro-1,3-dinitrobenzene or cdnb, is a member of the class of compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. Dinitrochlorobenzene is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Dinitrochlorobenzene can be found in a number of food items such as black radish, american butterfish, hedge mustard, and other cereal product, which makes dinitrochlorobenzene a potential biomarker for the consumption of these food products. Dinitrochlorobenzene is produced commercially by the nitration of p-nitrochlorobenzene with a mixture of nitric and sulfuric acids. Other methods afford the compound less efficiently include the chlorination of dinitrobenzene, nitration of o-nitrochlorobenzene and the dinitration of chlorobenzene . D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant CONFIDENCE standard compound; INTERNAL_ID 41 D009676 - Noxae > D007509 - Irritants
Mercury
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AK - Mercurial products Mercury is a metal that is a liquid at room temperature. Mercury has a long and interesting history deriving from its use in medicine and industry, with the resultant toxicity produced. In high enough doses, all forms of mercury can produce toxicity. The most devastating tragedies related to mercury toxicity in recent history include Minamata Bay and Niagata, Japan in the 1950s, and Iraq in the 1970s. More recent mercury toxicity issues include the extreme toxicity of the dimethylmercury compound noted in 1998, the possible toxicity related to dental amalgams, and the disproved relationship between vaccines and autism related to the presence of the mercury-containing preservative, thimerosal.; Hair has been used in many studies as a bioindicator of mercury exposure for human populations. At the time of hair formation, mercury from the blood capillaries penetrates into the hair follicles. As hair grows approximately 1 cm each month, mercury exposure over time is recapitulated in hair strands. Mercury levels in hair closest to the scalp reflect the most recent exposure, while those farthest from the scalp are representative of previous blood concentrations. Sequential analyses of hair mercury have been useful for identifying seasonal variations over time in hair mercury content, which may be the result of seasonal differences in bioavailability of fish and differential consumption of piscivorous and herbivorous fish species. Knowledge of the relation between fish-eating practices and hair mercury levels is particularly important for adequate mitigation strategies. Physiologically, it exists as an ion in the body. Methyl mercury is well absorbed, and because the biological half-life is long, the body burden in humans may reach high levels. People who frequently eat contaminated seafood can acquire mercury concentrations that are potentially dangerous to the fetus in pregnant women. The dose-response relationships have been extensively studied, and the safe levels of exposure have tended to decline. Individual methyl mercury exposure is usually determined by analysis of mercury in blood and hair. ; Whilst the clinical features of acute mercury poisoning have been well described, chronic low dose exposure to mercury remains poorly characterised and its potential role in various chronic disease states remains controversial. Low molecular weight thiols, i.e. sulfhydryl containing molecules such as cysteine, are emerging as important factors in the transport and distribution of mercury throughout the body due to the phenomenon of "Molecular Mimicry" and its role in the molecular transport of mercury. Chelation agents such as the dithiols sodium 2,3-dimercaptopropanesulfate (DMPS) and meso-2,3-dimercaptosuccinic acid (DMSA) are the treatments of choice for mercury toxicity. Alpha-lipoic acid (ALA), a disulfide, and its metabolite dihydrolipoic acid (DHLA), a dithiol, have also been shown to have chelation properties when used in an appropriate manner. Whilst N-acetyl-cysteine (NAC) and glutathione (GSH) have been recommended in the treatment of mercury toxicity in the past, an examination of available evidence suggests these agents may in fact be counterproductive. Zinc and selenium have also been shown to exert protective effects against mercury toxicity, most likely mediated by induction of the metal binding proteins metallothionein and selenoprotein-P. Evidence suggests however that the co-administration of selenium and dithiol chelation agents during treatment may also be counter-productive. Finally, the issue of diagnostic testing for chronic, historical or low dose mercury poisoning is considered including an analysis of the influence of ligand interactions and nutritional factors upon the accuracy of "chelation challenge" tests. (PMID: 17448359, 17408840, 17193738). Mercury is found in many foods, some of which are rice, wild carrot, horseradish, and endive.
4-Carboxy-2-hydroxy-cis,cis-muconate
Benzoyl phosphate
This compound belongs to the family of Benzoic Acid and Derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate, also known as 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate can be found in soy bean, which makes 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate a potential biomarker for the consumption of this food product. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate exists in all living organisms, ranging from bacteria to humans. 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline (CAS: 255828-59-2), also known as OHCU, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Outside of the human body, 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline has been detected, but not quantified, in soybeans. This could make 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline a potential biomarker for the consumption of these foods. 2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline is part of the purine metabolism pathway. It is a substrate for putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase.
1,4-Dioxo-1,4-dihydronaphthalene-2-carboxylic acid
Mercury
Mercury is a metal that is a liquid at room temperature. Mercury has a long and interesting history deriving from its use in medicine and industry, with the resultant toxicity produced. In high enough doses, all forms of mercury can produce toxicity. The most devastating tragedies related to mercury toxicity in recent history include Minamata Bay and Niagata, Japan in the 1950s, and Iraq in the 1970s. More recent mercury toxicity issues include the extreme toxicity of the dimethylmercury compound noted in 1998, the possible toxicity related to dental amalgams, and the disproved relationship between vaccines and autism related to the presence of the mercury-containing preservative, thimerosal. Hair has been used in many studies as a bioindicator of mercury exposure for human populations. At the time of hair formation, mercury from the blood capillaries penetrates into the hair follicles. As hair grows approximately 1 cm each month, mercury exposure over time is recapitulated in hair strands. Mercury levels in hair closest to the scalp reflect the most recent exposure, while those farthest from the scalp are representative of previous blood concentrations. Sequential analyses of hair mercury have been useful for identifying seasonal variations over time in hair mercury content, which may be the result of seasonal differences in bioavailability of fish and differential consumption of piscivorous and herbivorous fish species. Knowledge of the relation between fish-eating practices and hair mercury levels is particularly important for adequate mitigation strategies. Physiologically, it exists as an ion in the body. Methyl mercury is well absorbed, and because the biological half-life is long, the body burden in humans may reach high levels. People who frequently eat contaminated seafood can acquire mercury concentrations that are potentially dangerous to the fetus in pregnant women. The dose-response relationships have been extensively studied, and the safe levels of exposure have tended to decline. Individual methyl mercury exposure is usually determined by analysis of mercury in blood and hair. Whilst the clinical features of acute mercury poisoning have been well described, chronic low dose exposure to mercury remains poorly characterised and its potential role in various chronic disease states remains controversial. Low molecular weight thiols, i.e. sulfhydryl containing molecules such as cysteine, are emerging as important factors in the transport and distribution of mercury throughout the body due to the phenomenon of "Molecular Mimicry" and its role in the molecular transport of mercury. Chelation agents such as the dithiols sodium 2,3-dimercaptopropanesulfate (DMPS) and meso-2,3-dimercaptosuccinic acid (DMSA) are the treatments of choice for mercury toxicity. Alpha-lipoic acid (ALA), a disulfide, and its metabolite dihydrolipoic acid (DHLA), a dithiol, have also been shown to have chelation properties when used in an appropriate manner. Whilst N-acetyl-cysteine (NAC) and glutathione (GSH) have been recommended in the treatment of mercury toxicity in the past, an examination of available evidence suggests these agents may in fact be counterproductive. Zinc and selenium have also been shown to exert protective effects against mercury toxicity, most likely mediated by induction of the metal binding proteins metallothionein and selenoprotein-P. Evidence suggests however that the co-administration of selenium and dithiol chelation agents during treatment may also be counter-productive. Finally, the issue of diagnostic testing for chronic, historical or low dose mercury poisoning is considered including an analysis of the influence of ligand interactions and nutritional factors upon the accuracy of "chelation challenge" tests. (PMID: 17448359, 17408840, 17193738). Hg2+, also known as hg(2+) or mercuric ion, is a member of the class of compounds known as homogeneous transition metal compounds. Homogeneous transition metal compounds are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom. Hg2+ can be found in a number of food items such as winter squash, thistle, greenthread tea, and japanese pumpkin, which makes hg2+ a potential biomarker for the consumption of these food products. Hg2+ can be found primarily in blood, cerebrospinal fluid (CSF), and urine. Moreover, hg2+ is found to be associated with alzheimers disease, multiple sclerosis, and parkinsons disease. Hg2+ is formally rated as an unfounded non-carcinogenic (IARC 3) potentially toxic compound. Mercury poisoning is treated by immediate decontamination and chelation therapy using DMSA, DMPS, DPCN, or dimercaprol (A7) Identifying and removing the source of the mercury is crucial. Decontamination requires removal of clothes, washing skin with soap and water, and flushing the eyes with saline solution as needed. Inorganic ingestion such as mercuric chloride should be approached as the ingestion of any other serious caustic. Immediate chelation therapy is the standard of care for a patient showing symptoms of severe mercury poisoning or the laboratory evidence of a large total mercury load. Chelation therapy for acute inorganic mercury poisoning can be done with DMSA (dimercaptosuccinic acid), 2,3-dimercapto-1-propanesulfonic acid (DMPS), D-penicillamine (DPCN), or dimercaprol (BAL). Only DMSA is FDA-approved for use in children for treating mercury poisoning (T3DB).
4-Ethylphenylsulfate
4-ethylphenylsulfate is also known as 4-Ethylphenylsulphuric acid. 4-ethylphenylsulfate is considered to be practically insoluble (in water) and acidic
3-ethylphenyl Sulfate
3-ethylphenyl Sulfate is also known as 3-Ethylphenol sulfuric acid. 3-ethylphenyl Sulfate is considered to be practically insoluble (in water) and acidic
Benzoic acid sulfate
Benzoic acid sulfate is an endogenous phenolic acid metabolite. Benzoic acid sulfate was found to be elevated in rat urine after whole rye consumption which makes this compound a potential urinary biomarker of whole grain intake (PMID: 26862900).
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazole
5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate, also known as 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate is an extremely weak basic (essentially neutral) compound (based on its pKa). 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate exists in all living organisms, ranging from bacteria to humans. Outside of the human body, 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate has been detected, but not quantified in, soy beans. This could make 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate a potential biomarker for the consumption of these foods. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate is part of the Purine metabolism pathway. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate, also known as 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate can be found in soy bean, which makes 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate a potential biomarker for the consumption of this food product. 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1h-imidazole-5-carboxylate exists in all living organisms, ranging from bacteria to humans.
Magnesium lactate
Buffering agent; dough conditioner; dietary supplement. Magnesium lactate, the magnesium salt of lactic acid, is a mineral supplement. Buffering agent; dough conditioner; dietary supplement
Disodium tetraborate
Listed in the EAFUS Food Additive Database (Jan. 2001) but with no reported use
2,5-dihydroxy-3-methanesulfinylbenzyl alcohol
A benzyl alcohol with hydroxy substituents at positions 2 and 5 and a methanesulfinyl group at position 3. It is a fungal secondary metabolite from Ampelomyces sp. SC0307 and has antibacterial activity against Escherichia coli, Pseudomonas aeruginosa and Proteus vulgaris.
Fludioxonil-TP CGA 192155
CONFIDENCE standard compound; UCHEM_ID 4244 UCHEM_ID 4244; CONFIDENCE standard compound
7H-PYRROLO[1,2-C]IMIDAZOL-7-ONE 5,6-DIHYDRO-, HYDROBROMIDE (1:1)
2-(2-CHLORO-6-FLUORO-PHENYL)-N-HYDROXY-ACETAMIDINE
1-(4-chlorophenyl)-3-[3-(4-chlorophenyl)-2-hydroxypropyl]sulfanylpropan-2-ol
3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Propanedinitrile,2-[1-(4-chlorophenyl)ethylidene]-
4,6-Dichloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine
4-Methoxyphenyl mesylate, 4-[(Methylsulphonyl)oxy]anisole
3H-1,2,4-Triazino[5,6-b]indole-3-thione,2,4-dihydro-
Phosphonic acid,(3-bromopropyl)- (6CI,7CI,8CI,9CI)
6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
2-Thiophenecarboxylicacid,5-amino-4-nitro-,methylester(9CI)
5-AMINO-2-CHLORO-2,3-DIHYDROTHIAZOLO[4,5-D]PYRIMIDINE-7-(6H)-ONE
Magnesium lactate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12C - Other mineral supplements > A12CC - Magnesium
6-METHOXY-5-(TRIFLUOROMETHYL)-3-PYRIDINECARBONITRILE
2-(2-Chloro-4-fluoro-phenyl)-N-hydroxy-acetamidine
5-CHLOROMETHYL-1H-PYRROLO[2,3-B]PYRIDINE HYDROCHLORIDE
METHYL 5-(CHLOROCARBONYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATE
1-(5-chlorothiophen-2-yl)cyclopropane-1-carboxylic acid
(2,2-difluoro-2H-1,3-benzodioxol-5-yl)boronic acid
(FURAN-2-YLMETHANESULFINYL)-ACETIC ACID METHYL ESTER
Ethanone, 2-bromo-1-(1-methyl-1H-imidazol-2-yl)- (9CI)
Imidazo[2,1-b]thiazole-5-carboxylicacid, 6-chloro-
4-AMINO-2-CHLORO-3-METHYLBENZONITRILE HYDROCHLORIDE
2-(CHLOROMETHYL)IMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE
2-(2-formyl-1h-pyrrol-1-yl)thiophene-3-carbonitrile
2-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(methoxyimino)acetic acid
(2S,4R)-4-AMINOPYRROLIDINE-2-CARBOXYLIC ACID DIHYDROCHLORIDE
1,5-DIMETHYL-1H,5H-[1,2,4]TRIAZOLO[1,2-A][1,2,4]TRIAZOLE-3,7-DITHIOL
2-[[5-(TRIFLUOROMETHYL)-2-PYRIDYL]OXY]ACETONITRILE
5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
3-Isocyanato-2-methyl-6-(trifluoromethyl)pyridine, TECH
2-(2-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)ANILINE
4,6-Dichloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine
6-FLUORO-3-METHYLBENZO[D]ISOXAZOL-5-AMINE HYDROCHLORIDE
2-PYRIDINECARBOXYLIC ACID, 4-AMINO-5-CHLORO-6-METHOXY-
2-amino-5-fluoro-5-(trifluoromethyl)-1,3-thiazol-4-one
Fosfonet sodium
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
Xanthotoxol
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects. Xanthotoxol (8-Hydroxypsoralen) It is a kind of fragrant bean substance, and it is a CYP450 inhibitor. Xanthotoxol has anti-inflammatory, anti-inflammatory, and 5-HT antagonistic and protective effects. Xanthotoxol inhibited CYP3A4 sum CYP1A2 IC50s separation 7.43 μM sum 27.82 μM. Xanthotoxol can pass through MAPK and NF-κB, inhibiting inflammation[1][2][3][4]. Xanthotoxol (8-Hydroxypsoralen) is a biologically active linear furocoumarin, shows strong pharmacological activities as anti-inflammatory, antioxidant, 5-HT antagonistic, and neuroprotective effects.
Bergaptol
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties. Bergaptol is an inhibitor of debenzylation of the CYP3A4 enzyme with an IC50 of 24.92 uM. Recent studies have shown that it has anti-proliferative and anti-cancer properties.
(2E)-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-2-isocyanoprop-2-enoate
(1E,3Z)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid
Dinitrochlorobenzene
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D009676 - Noxae > D007509 - Irritants
2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline
3-ethylphenyl Sulfate
An aryl sulfate that is ethylbenzene substituted by a sulfooxy group at position 3.
4-ethylphenyl sulfate
An aryl sulfate that is 4-ethylphenol in which the hydroxy group has been replaced by a sulfooxy group.
