Exact Mass: 168.004433

Exact Mass Matches: 168.004433

Found 500 metabolites which its exact mass value is equals to given mass value 168.004433, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Vanillic acid

4-hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0422568)


Vanillic acid is a phenolic acid found in some forms of vanilla and many other plant extracts. It is a flavouring and scent agent that produces a pleasant, creamy odour. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin (J Biotechnol 1996;50(2-3):107-13). Vanillic acid, which is a chlorogenic acid, is an oxidized form of vanillin. It is also an intermediate in the production of vanillin from ferulic acid. Vanillic acid is a metabolic byproduct of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea, and vanilla-flavoured confectionary. Vanillic acid selectively and specifically inhibits 5nucleotidase activity (PMID: 16899266). Vanillic acid is a microbial metabolite found in Amycolatopsis, Delftia, and Pseudomonas (PMID: 11152072, 10543794, 11728709, 9579070). Vanillic acid is a phenolic acid found in some forms of vanilla and many other plant extracts. It is a flavoring and scent agent that produces a pleasant, creamy odor. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13). Vanillic acid, which is a chlorogenic acid, is an oxidized form of vanillin. It is also an intermediate in the production of vanillin from ferulic acid. Vanillic acid is a metabolic byproduct of caffeic acid and is often found in the urine of humans who have consumed coffee, chocolate, tea and vanilla-flavored confectionary. Vanillic acid selectively and specifically inhibits 5nucleotidase activity. (PMID: 16899266). Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a monohydroxybenzoic acid and a methoxybenzoic acid. It is a conjugate acid of a vanillate. Vanillic acid is a natural product found in Ficus septica, Haplophyllum cappadocicum, and other organisms with data available. Vanillic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A flavoring agent. It is the intermediate product in the two-step bioconversion of ferulic acid to vanillin. (J Biotechnol 1996;50(2-3):107-13). A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. Vanillic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=121-34-6 (retrieved 2024-06-29) (CAS RN: 121-34-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1]. Vanillic acid is a flavoring agent found in edible plants and fruits, also found in Angelica sinensis. Vanillic acid inhibits NF-κB activation. Anti-inflammatory, antibacterial, and chemopreventive effects[1].

   

Orsellinic_acid

6-Methyl-beta-resorcylic acid; Orcinolcarboxylic acid

C8H8O4 (168.0422568)


O-orsellinic acid is a dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. It has a role as a metabolite, a marine metabolite and a fungal metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It is a conjugate acid of an o-orsellinate. 2,4-Dihydroxy-6-methylbenzoic acid is a natural product found in Nidularia pulvinata, Hypoxylon rubiginosum, and other organisms with data available. A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. Orsellinic acid is a compound produced by Lecanoric acid treated with alcohols. Lecanoric acid is a lichen depside isolated from a Parmotrema tinctorum specimen[1].

   

3,4-Dihydroxybenzeneacetic acid

3,4-Dihydroxyphenylacetic Acid, Monosodium Salt

C8H8O4 (168.0422568)


3,4-Dihydroxyphenylacetic acid (DOPAC) is a phenolic acid. DOPAC is a neuronal metabolite of dopamine (DA). DA undergoes monoamine oxidase-catalyzed oxidative deamination to 3,4-dihydroxyphenylacetaldehyde (DOPAL), which is metabolized primarily into DOPAC via aldehyde dehydrogenase (ALDH2). The biotransformation of DOPAL is critical as previous studies have demonstrated this DA-derived aldehyde to be a reactive electrophile and toxic to dopaminergic cells. Known inhibitors of mitochondrial ALDH2, such as 4-hydroxy-2-nonenal (4HNE) inhibit ALDH2-mediated oxidation of the endogenous neurotoxin DOPAL. 4HNE is one of the resulting products of oxidative stress, thus linking oxidative stress to the uncontrolled production of an endogenous neurotoxin relevant to Parkinsons disease. In early-onset Parkinson disease, there is markedly reduced activities of both monoamine oxidase (MAO) A and B. The amount of DOPAC, which is produced during dopamine oxidation by MAO, is greatly reduced as a result of increased parkin overexpression. Administration of methamphetamine to animals causes loss of DA terminals in the brain and significant decreases in dopamine and dihydroxyphenylacetic acid (DOPAC) in the striatum. Renal dopamine produced in the residual tubular units may be enhanced during a sodium challenge, thus behaving appropriately as a compensatory natriuretic hormone; however, the renal dopaminergic system in patients afflicted with renal parenchymal disorders should address parameters other than free urinary dopamine, namely the urinary excretion of L-DOPA and metabolites. DOPAC is one of the major phenolic acids formed during human microbial fermentation of tea, citrus, and soy flavonoid supplements. DOPAC exhibits a considerable antiproliferative effect in LNCaP prostate cancer and HCT116 colon cancer cells. The antiproliferative activity of DOPAC may be due to its catechol structure. A similar association of the catechol moiety in the B-ring with antiproliferative activity was demonstrated for flavanones (PMID:16956664, 16455660, 8561959, 11369822, 10443478, 16365058). DOPAC can be found in Gram-positive bacteria (PMID:24752840). 3,4-Dihydroxyphenylacetic acid (DOPAC) is a metabolite of the neurotransmitter dopamine. 3,4-Dihydroxyphenylacetic acid is found in many foods, some of which are alaska blueberry, cauliflower, ucuhuba, and fox grape. 3,4-Dihydroxybenzeneacetic acid is the main neuronal metabolite of dopamine.

   

2',4',6'-Trihydroxyacetophenone

2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -Trihydroxyacetophenone

C8H8O4 (168.0422568)


2,4,6-trihydroxyacetophenone is a benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. It has a role as a MALDI matrix material and a plant metabolite. It is a methyl ketone, a benzenetriol and an aromatic ketone. 2,4,6-Trihydroxyacetophenone is a natural product found in Artemisia gypsacea, Daldinia eschscholtzii, and other organisms with data available. A benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides. 2,4,6-Trihydroxyacetophenone is found in fruits. 2,4,6-Trihydroxyacetophenone is isolated from bark of Prunus domestica (plum Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2]. Phloracetophenone (2,4,6-trihydroxyacetophenone) is the aglycone part of acetophenone glycoside obtained from Curcuma comosa Roxb, with cholesterol-lowering activity. Phloracetophenone enhances cholesterol 7α-hydroxylase (CYP7A1) activity[1]. Phloracetophenone stimulats bile secretion mediated through Mrp2[2].

   

4-hydroxymandelic acid

(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid

C8H8O4 (168.0422568)


p-Hydroxymandelic acid, also known as 4-hydroxymandelate or 4-hydroxyphenylglycolate, belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. p-Hydroxymandelic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make p-hydroxymandelic acid a potential biomarker for the consumption of these foods. p-Hydroxymandelic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on p-Hydroxymandelic acid. p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.

   

Uric acid

2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

C5H4N4O3 (168.0283394)


Uric acid is a heterocyclic purine derivative that is the final oxidation product of purine metabolism. It is a weak acid distributed throughout the extracellular fluid as sodium urate. Uric acid is produced by the enzyme xanthine oxidase, which oxidizes oxypurines such as xanthine into uric acid. In most mammals, except humans and higher primates, the enzyme uricase further oxidizes uric acid to allantoin. Interestingly, during the Miocene epoch (~15-20 million years ago), two distinct mutations in the primate genome occurred that led to a nonfunctioning uricase gene. Consequently, humans, apes, and certain New World monkeys have much higher uric acid levels (>120 μM) compared with other mammals (<<120 uM). The loss of uricase in higher primates parallels the similar loss of the ability to synthesize ascorbic acid vitamin C. This may be because in higher primates uric acid partially replaces ascorbic acid. Like ascorbic acid, uric acid is an antioxidant. In fact, in primates, uric acid is the major antioxidant in serum and is thought to be a major factor in lengthening life-span and decreasing age-specific cancer rates in humans and other primates (PMID: 6947260). Uric acid is also the end product of nitrogen metabolism in birds and reptiles. In these animal species, it is excreted in feces as a dry mass. In humans and other mammals, the amount of urate in the blood depends on the dietary intake of purines, the level of endogenous urate biosynthesis, and the rate of urate excretion. Several kidney urate transporters are involved in the regulation of plasma urate levels. These include the urate transporter 1 (URAT1), which controls the reabsorption of urate as well as a number of organic ion transporters (OAT), such as OAT1 and OAT3, and the ATP-dependent urate export transporter MRP4. URAT1 is believed to be most critical in the regulation of plasma urate levels. (PMID: 17890445) High levels of plasma uric acid lead to a condition called hyperuricemia while low levels are associated with a condition called hypouricemia. Hyperuricemia has been defined as a uric acid concentration greater than 380 μM, while hypouricemia is generally defined as a urate concentration of less than 120 μM. Hyperuricemia can arise from a number of factors, including both acute and chronic causes. Acute causes of hyperuricemia include the intake of large amounts of alcohol, tumor lysis syndrome and a diet that is rich in purines or proteins. Chronic hyperuricemia can arise from a reduction in the kidney’s glomerular filtration rate, a decrease in the excretion of urate or an increase in overall tubular absorption in the kidneys. Hyperuricemia has been linked to a number of diseases and conditions, including gout, hypertension, cardiovascular disease, myocardial infarction, stroke, and renal disease. Uric acid has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Many of the causes of hyperuricemia are correctable either with lifestyle changes or drugs. Lifestyle changes include reducing weight and reducing the consumption of protein, purines, and alcohol. There are two kinds of drugs that can be used to treat chronic hyperuricemia. Xanthine oxidase inhibitors, such as allopurinol, inhibit the production of urate by blocking urate synthesis. Alternately, uricosuric drugs, such as probenecid, sulfinpyrazone, and benzpromarone, are used to reduce the serum urate concentration through the inhibition of the URAT1 transporter. (PMID: 17890445). Uric acid (especially crystalline uric acid) is also thought to be an essential initiator and amplifier of allergic inflammation for asthma and peanut allergies (PMID: 21474346). Uric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=69-93-2 (retrieved 2024-07-17) (CAS RN: 69-93-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2]. Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2].

   

Phosphoenolpyruvic acid

Phosphoenolpyruvic Acid Trisodium Salt monohydrate

C3H5O6P (167.98237600000002)


Phosphoenolpyruvate, also known as pep or 2-(phosphonooxy)-2-propenoic acid, is a member of the class of compounds known as phosphate esters. Phosphate esters are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. Phosphoenolpyruvate is soluble (in water) and an extremely strong acidic compound (based on its pKa). Phosphoenolpyruvate can be found in a number of food items such as okra, endive, chestnut, and dandelion, which makes phosphoenolpyruvate a potential biomarker for the consumption of these food products. Phosphoenolpyruvate can be found primarily in blood, cellular cytoplasm, and saliva, as well as in human prostate tissue. Phosphoenolpyruvate exists in all living species, ranging from bacteria to humans. In humans, phosphoenolpyruvate is involved in several metabolic pathways, some of which include glycolysis, amino sugar metabolism, gluconeogenesis, and glycogenosis, type IC. Phosphoenolpyruvate is also involved in several metabolic disorders, some of which include glycogen storage disease type 1A (GSD1A) or von gierke disease, salla disease/infantile sialic acid storage disease, phosphoenolpyruvate carboxykinase deficiency 1 (PEPCK1), and pyruvate dehydrogenase complex deficiency. Phosphoenolpyruvate (2-phosphoenolpyruvate, PEP) as the ester derived from the enol of pyruvate and phosphate. It exists as an anion; the parent acid, which is only of theoretical interest, is phosphoenolpyruvic acid. PEP is an important intermediate in biochemistry. It has the highest-energy phosphate bond found (−61.9 kJ/mol) in living organisms, and is involved in glycolysis and gluconeogenesis. In plants, it is also involved in the biosynthesis of various aromatic compounds, and in carbon fixation; in bacteria, it is also used as the source of energy for the phosphotransferase system . Phosphoenolpyruvate (PEP) is an important chemical compound in biochemistry. It has a high energy phosphate bond, and is involved in glycolysis and gluconeogenesis. In glycolysis, PEP is formed by the action of the enzyme enolase on 2-phosphoglycerate. Metabolism of PEP to pyruvate by pyruvate kinase (PK) generates 1 molecule of adenosine triphosphate (ATP) via substrate-level phosphorylation. ATP is one of the major currencies of chemical energy within cells. In gluconeogenesis, PEP is formed from the decarboxylation of oxaloacetate and hydrolysis of 1 guanosine triphosphate molecule. This reaction is catalyzed by the enzyme phosphoenolpyruvate carboxykinase (PEPCK). This reaction is a rate-limiting step in gluconeogenesis. (wikipedia). [Spectral] Phosphoenolpyruvate (exact mass = 167.98237) and 6-Phospho-D-gluconate (exact mass = 276.02463) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID P007

   

Homogentisic acid

2-(2,5-dihydroxyphenyl)acetic acid

C8H8O4 (168.0422568)


Homogentisic acid, also known as melanic acid, is an intermediate in the breakdown or catabolism of tyrosine and phenylalanine. It is generated from the compound p-hydroxyphenylpyruvate through the enzyme p-hydroxyphenylpyruvate dehydrogenase. The resulting homogentisic acid is then broken down into 4-maleylacetoacetate via the enzyme homogentisate 1,2-dioxygenase. Homogentisic acid is also found in other organisms. For instance, it can found in Arbutus unedo (strawberry-tree) honey, in the bacterial plant pathogen Xanthomonas campestris as well as in the yeast Yarrowia lipolytica where it is associated with the production of brown pigments. Homogentisic acid can be oxidatively dimerized to form hipposudoric acid, one of the main constituents of the blood sweat of hippopotamuses. When present in sufficiently high levels, homogentisic acid can function as an osteotoxin and a renal toxin. An osteotoxin is a substance that causes damage to bones and/or joints. A renal toxin causes damage to the kidneys. Chronically high levels of homogentisic acid are associated with alkaptonuria (OMIM: 203500), an inborn error of metabolism. Alkaptonuria is a rare inherited genetic disorder in which the body cannot process the amino acids phenylalanine and tyrosine. It is caused by a mutation in the enzyme homogentisate 1,2-dioxygenase (EC 1.13.11.5), which leads to an accumulation of homogentisic acid in the blood and tissues. Homogentisic acid and its oxidized form benzoquinone acetic acid are excreted in the urine, giving it an unusually dark color. The accumulating homogentisic acid (and benzoquinone acetic acid) causes damage to cartilage (ochronosis, leading to osteoarthritis) and heart valves as well as precipitating as kidney stones and stones in other organs. More specifically, homogentisic acid can be converted to benzoquinone acetic acid (BQA), and the resulting BQA can be readily converted to polymers that resemble the dark skin pigment melanin. These polymers are deposited in the collagen, a connective tissue protein, of particular tissues such as cartilage. This process is called ochronosis (as the tissue looks ochre); ochronotic tissue is stiffened and unusually brittle, impairing its normal function and causing damage. Homogentisic acid is the primary precursor of melanin synthesis in Vibrio cholerae. 2-(3,6-dihydroxyphenyl)acetic acid, also known as homogentisic acid or homogentisate, is a member of the class of compounds known as 2(hydroxyphenyl)acetic acids. 2(hydroxyphenyl)acetic acids are phenylacetic acids that carry a hydroxyl group at the 2-position. 2-(3,6-dihydroxyphenyl)acetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-(3,6-dihydroxyphenyl)acetic acid can be found in a number of food items such as gooseberry, angelica, chinese broccoli, and cucumber, which makes 2-(3,6-dihydroxyphenyl)acetic acid a potential biomarker for the consumption of these food products. 2-(3,6-dihydroxyphenyl)acetic acid can be found primarily in blood, feces, and urine, as well as in human cartilage, connective tissue and kidney tissues. In humans, 2-(3,6-dihydroxyphenyl)acetic acid is involved in few metabolic pathways, which include disulfiram action pathway, phenylalanine and tyrosine metabolism, and tyrosine metabolism. 2-(3,6-dihydroxyphenyl)acetic acid is also involved in several metabolic disorders, some of which include dopamine beta-hydroxylase deficiency, tyrosinemia type 3 (TYRO3), alkaptonuria, and tyrosinemia type 2 (or richner-hanhart syndrome). Moreover, 2-(3,6-dihydroxyphenyl)acetic acid is found to be associated with alkaptonuria. 2-(3,6-dihydroxyphenyl)acetic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Apart from treatment of the complications (such as pain relief using NSAIDs and joint replacement for the cartilage damage), vitamin C has been used to reduce the ochronosis and lowering of the homogentisic acid levels may be attempted with a low-protein diet. Recently the drug nitisinone has been found to suppress homogentisic acid production. Nitrisinone inhibits the enzyme, 4-hydroxyphenylpyruvate dioxygenase, responsible for converting tyrosine to homogentisic acid, thereby blocking the production and accumulation of homogentisic acid. Nitisinone treatment has been shown to cause a 95\\\\% reduction in plasma and urinary homogentisic acid (T3DB). Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 118 KEIO_ID H060 Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria. Homogentisic acid is a specific metabolite in urine and serum, which is used for diagnosis of alkaptonuria.

   

Zoxazolamine

5-chloro-2,3-dihydro-1,3-benzoxazol-2-imine

C7H5ClN2O (168.009039)


D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant C26170 - Protective Agent > C921 - Uricosuric Agent D002491 - Central Nervous System Agents

   

2,6-Dimethoxy-1,4-benzoquinone

3,5-Dimethoxy-1,4-benzoquinone; 3,5-Dimethoxybenzoquinone; NSC 24500

C8H8O4 (168.0422568)


2,6-Dimethoxy-1,4-benzoquinone is a natural product found in Diospyros eriantha, Iris milesii, and other organisms with data available. 2,6-Dimethoxyquinone is a methoxy-substituted benzoquinone and bioactive compound found in fermented wheat germ extracts, with potential antineoplastic and immune-enhancing activity. 2,6-Dimethoxyquinone (2,6-DMBQ) inhibits anaerobic glycolysis thereby preventing cellular metabolism and inducing apoptosis. As cancer cells use the anaerobic glycolysis pathway to metabolize glucose and cancer cells proliferate at an increased rate as compared to normal, healthy cells, this agent is specifically cytotoxic towards cancer cells. In addition, 2,6-DMBQ exerts immune-enhancing effects by increasing natural killer (NK) cell and T-cell activity against cancer cells. See also: Acai fruit pulp (part of). 2,6-Dimethoxy-1,4-benzoquinone is found in common wheat. 2,6-Dimethoxy-1,4-benzoquinone is a constituent of bark of Phyllostachys heterocycla var. pubescens (moso bamboo) Constituent of bark of Phyllostachys heterocycla variety pubescens (moso bamboo). 2,6-Dimethoxy-1,4-benzoquinone is found in green vegetables and common wheat. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1]. 2,6-Dimethoxy-1,4-benzoquinone, a natural phytochemical, is a known haustorial inducing factor. 2,6-Dimethoxy-1,4-benzoquinone exerts anti-cancer, anti-inflammatory, anti-adipogenic, antibacterial, and antimalaria effects[1].

   

1,2-Dihydrophthalic acid

Cyclohexa-3,5-diene-1,2-dicarboxylate

C8H8O4 (168.0422568)


   

Butanoylphosphate

Butanoyl dihydrogen phosphate

C4H9O5P (168.0187594)


   
   

4-Hydroxypheoxyacetate

4-Hydroxyphenoxyacetic acid

C8H8O4 (168.0422568)


   

2-Methylpropionyl phosphate

2-Methylpropionyl phosphate

C4H9O5P (168.0187594)


   

3-Sulfopyruvic acid

2-Carboxy-2-oxoethanesulphonic acid

C3H4O6S (167.9728604)


Sulfopyruvate, also known as 2-carboxy-2-oxoethanesulfonic acid or beta-sulfopyruvic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Sulfopyruvate is soluble (in water) and an extremely strong acidic compound (based on its pKa). Sulfopyruvate can be found in a number of food items such as french plantain, sago palm, sweet cherry, and ostrich fern, which makes sulfopyruvate a potential biomarker for the consumption of these food products. Sulfopyruvate exists in all living organisms, ranging from bacteria to humans. 3-Sulfopyruvic acid is the product of the transamination of cysteinesulfonate in a reaction catalyzed by aspartate aminotransferase. 3-sulfopyruvic acid is stable and is reduced by malate dehydrogenase to beta-sulfolactate, which is excreted in the urine. Cysteinesulfonate, 3-sulfopyruvic acid, and beta-sulfolactate are reversibly interconverted in vivo. (PMID: 3346220).

   

3,4-Dihydroxymandelaldehyde

2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde

C8H8O4 (168.0422568)


3,4-Dihydroxymandelaldehyde is the monoamine oxidase (MAO) aldehyde metabolite of both norepinephrine and epinephrine. 3,4- dihydroxymandelaldehyde generates a free radical and activates mitochondrial permeability transition, a mechanism implicated in neuron death. There is an increasing body of evidence suggesting that these compounds are neurotoxic, and it has been recently hypothesized that neurodegenerative disorders may be associated with increased levels of this biogenic aldehyde. It is possible to speculate that reduced detoxification of 3,4- dihydroxymandelaldehyde from impaired or deficient aldehyde dehydrogenase function may be a contributing factor in the suggested neurotoxicity of these compounds. Aldehyde dehydrogenases are a group of NAD(P)+ -dependent enzymes that catalyze the oxidation of aldehydes, such as those derived from catecholamines, to their corresponding carboxylic acids. To date, 19 aldehyde dehydrogenase genes have been identified in the human genome. Mutations in these genes and subsequent inborn errors in aldehyde metabolism are the molecular basis of several diseases. Several pharmaceutical agents and environmental toxins are also known to disrupt or inhibit aldehyde dehydrogenase function. (PMID: 17379813, 14697885, 11164826). 3,4-dihydroxymandelaldehyde, also known as alpha,3,4-trihydroxybenzeneacetaldehyde or dhmal, is a member of the class of compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. 3,4-dihydroxymandelaldehyde is soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4-dihydroxymandelaldehyde can be found in a number of food items such as canola, lentils, grass pea, and moth bean, which makes 3,4-dihydroxymandelaldehyde a potential biomarker for the consumption of these food products. In humans, 3,4-dihydroxymandelaldehyde is involved in a couple of metabolic pathways, which include disulfiram action pathway and tyrosine metabolism. 3,4-dihydroxymandelaldehyde is also involved in several metabolic disorders, some of which include dopamine beta-hydroxylase deficiency, alkaptonuria, hawkinsinuria, and tyrosinemia, transient, of the newborn. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2,6-Dihydroxyphenylacetate

(2,6-dihydroxyphenyl)acetic acid

C8H8O4 (168.0422568)


   

2-Hydroxy-6-oxoocta-2,4,7-trienoate

2-hydroxy-6-oxoocta-2,4,7-trienoic acid

C8H8O4 (168.0422568)


   

Desflurane

(+-)-2-Difluoromethyl 1,2,2,2-tetrafluoroethyl ether

C3H2F6O (168.0009834)


Desflurane is a highly fluorinated methyl ethyl ether used for maintenance of general anaesthesia. Volatile agents such as desflurane may activate GABA channels and hyperpolarize cell membranes. In addition, they may inhibit certain calcium channels and therefore prevent release of neurotransmitters and inhibit glutamate channels. Volatile anesthetics easily partition into cellular membranes and could expand the volume of the cell membrane and subsequently distort channels necessary for sodium ion flux and the development of action potentials necessary for synaptic transmission. Desflurane preconditions human myocardium against ischemia through activation of mitochondrial K(ATP) channels, adenosine A1 receptor, and alpha and beta adrenoceptors. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AB - Halogenated hydrocarbons C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

4-Hydroxymethylsalicylate

2-Hydroxy-4-hydroxymethylbenzoic acid

C8H8O4 (168.0422568)


A monohydroxybenzoic acid consisting of salicylic acid having a hydroxymethyl group at the 4-position.

   

1,2-Dinitrobenzene

Ortho-dinitrobenzene

C6H4N2O4 (168.0171064)


   

Hydroxypyruvaldehyde phosphate

Hydroxypyruvaldehyde phosphate

C3H5O6P (167.98237600000002)


   

2-Oxo-3-(5-oxofuran-2-ylidene)propanoate

2-Oxo-3-(5-oxofuran-2-ylidene)propanoic acid

C7H4O5 (168.00587339999998)


   

4-hydroxymandelic acid

(+/-)-alpha,4-dihydroxy-benzeneacetic acid

C8H8O4 (168.0422568)


p-Hydroxymandelic acid is an acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. An acidic metabolite of p-octopamine and p-synephrine (p-phenylephrine). It is also a naturally occurring metabolite of tyramine. A specific enantiomer of p-hydroxymandelic aicd ((R)-(-)-p-hydroxymandelic -- also called pisolithin B) has been shown to exhibit antifungal properties. [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.

   

Tioxolone

THIOXOLONE

C7H4O3S (167.9881154)


D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AB - Preparations containing sulfur C78284 - Agent Affecting Integumentary System > C29700 - Astringent

   

4-Hydroxymandelate

(R)-2-HYDROXY-2-(4-HYDROXYPHENYL)ACETIC ACID

C8H8O4 (168.0422568)


A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids KEIO_ID H081 p-Hydroxymandelic acid is a valuable aromatic fine chemical and widely used for production of pharmaceuticals and food additives.

   

Isovanillic

InChI=1/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0422568)


3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate. 3-Hydroxy-4-methoxybenzoic acid is a natural product found in Euphorbia decipiens, Annona purpurea, and other organisms with data available. A methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

   

5-Methoxysalicylic acid

InChI=1/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11

C8H8O4 (168.0422568)


5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite. 5-Methoxysalicylic acid is also known as 2-hydroxy-5-methoxybenzoate or 5-methoxy-2-hydroxybenzoate and belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. Outside of the human body, 5-Methoxysalicylic acid has been detected, but not quantified in herbs and spices and tea. 5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. It has a role as a bacterial metabolite and a human urinary metabolite. 5-Methoxysalicylic acid is a natural product found in Thalictrum fargesii, Amycolatopsis, and Conyza bonariensis with data available. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A methoxysalicylic acid that is salicylic acid which is carrying a methoxy group at position 5. Isolated from Primula veris (cowslip) 5-Methoxysalicylic acid (5-MeOSA) is a natural compound, used as a useful matrix in the MALDI MS analysis of oligonucleotides when combined with spermine[1].

   

3-Hydroxymandelic acid

2-Hydroxy-2-(3-hydroxyphenyl)acetic acid

C8H8O4 (168.0422568)


3-Hydroxymandelic acid, also known as m-hydroxymandelate or MHMA, is a 2-hydroxy monocarboxylic acid. 3-Hydroxymandelic acid is the dehydroxylated (positions 2 and 3‚Äô) derivative of phenylacetic acid. It is a white crystalline solid that is soluble in water and polar organic solvents. It derives from a mandelic acid. Mandelic acid is a substrate or product of several biochemical processes called the mandelate pathway. Mandelate racemase interconverts the two enantiomers via a pathway that involves cleavage of the alpha-CH bond. Mandelate dehydrogenase is yet another enzyme on this pathway. Mandelate also arises from trans-cinnamate via phenylacetic acid, which is hydroxylated. Derivatives of mandelic acid, such as 3-hydroxymandelic acid, are formed as a result of metabolism of adrenaline and noradrenaline by monoamine oxidase and catechol-O-methyl transferase. m-hydroxymandelic acid or 3-hyrodxymandelic acid is a metabolic breakdown product of m-octopamine, m-synephrine (phenylephrine) and m-tyrosine. It is a naturally occuring catecholamine metabolite. Concentrations of m-hydroxymandelic acid can be elevated 20- to 30-fold in neuroblastoma patients. [HMDB] D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids 3-Hydroxymandelic Acid, a metabolite of Phenylephrine, Phenylephrine is a α-receptor agonist.

   

4-Methoxysalicylic acid

4-Methoxysalicylic acid

C8H8O4 (168.0422568)


2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker. 2-Hydroxy-4-methoxybenzoic acid is a derivative of methoxybenzoic. 2-Hydroxy-4-methoxybenzoic is a potential biomarker.

   

Isovanillic acid

3-Hydroxy-4-methoxybenzoic acid

C8H8O4 (168.0422568)


Isovanillic acid is a metabolite of isovanillin. Isovanillin is a phenolic aldehyde, an organic compound and isomer of vanillin. It is a selective inhibitor of aldehyde oxidase. It is not a substrate of that enzyme, and is metabolized by aldehyde dehydrogenase into isovanillic acid. (Wikipedia) Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1]. Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from Scrophularia ningpoensis, with Anti-inflammatory activity[1].

   

3-Methoxysalicylic acid

2-hydroxy-3-methoxybenzoic acid

C8H8O4 (168.0422568)


2-hydroxy-3-methoxybenzoic acid, also known as O-vanillic acid or O-vanillate, belongs to M-methoxybenzoic acids and derivatives class of compounds. Those are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. 2-hydroxy-3-methoxybenzoic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 2-hydroxy-3-methoxybenzoic acid can be found in evening primrose, which makes 2-hydroxy-3-methoxybenzoic acid a potential biomarker for the consumption of this food product. 3-Methoxysalicylic acid (CAS Number 877-22-5) is a beige fine crystalline powder. Its melting point is 147-150 C.

   

Quinolacetic acid

2-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)acetic acid

C8H8O4 (168.0422568)


Quinolacetic acid is a by-product of the partially defective enzyme, 4-hydroxyphenylpyruvate dioxygenase (PMID: 6619234). When present in sufficiently high levels, quinolacetic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of quinolacetic acid are associated with hawkinsinuria (PMID: 6619234). Hawkinsinuria is characterized by the inability to break down the amino acid tyrosine. The features of this condition usually appear around the time infants are weaned off breast milk and begin to use formula. The signs and symptoms may include the following: failure to gain weight and grow at the expected rate (failure to thrive), abnormally high acid levels in the blood (acidosis), and fine or sparse hair. Hawkinsin is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated hawkinsinuria. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures.

   

3-HYDROXY-2-METHOXYBENZOIC ACID

3-HYDROXY-2-METHOXYBENZOIC ACID

C8H8O4 (168.0422568)


   

3-hydroxy-5-methoxybenzoic acid

3-hydroxy-5-methoxybenzoic acid

C8H8O4 (168.0422568)


   

3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one

Dehydroacetic acid, sodium monohydrate ion (1-)

C8H8O4 (168.0422568)


3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one is a fungicide used against moulds on fresh and dried fruit. Now superseded. Fungicide used against moulds on fresh and dried fruit. Now superseded.

   

Thermophillin

Diethylcarbamothioylsulfanyl diethylaminomethanedithioate

C8H8O4 (168.0422568)


Thermophillin is found in herbs and spices. Thermophillin is isolated from Acorus calamus (sweet flag) Disulfiram produces a sensitivity to alcohol which results in a highly unpleasant reaction when the patient under treatment ingests even small amounts of alcohol. Disulfiram blocks the oxidation of alcohol at the acetaldehyde stage during alcohol metabolism following disulfiram intake, the concentration of acetaldehyde occurring in the blood may be 5 to 10 times higher than that found during metabolism of the same amount of alcohol alone. Accumulation of acetaldehyde in the blood produces a complex of highly unpleasant symptoms referred to hereinafter as the disulfiram-alcohol reaction. This reaction, which is proportional to the dosage of both disulfiram and alcohol, will persist as long as alcohol is being metabolized. Disulfiram does not appear to influence the rate of alcohol elimination from the body. Prolonged administration of disulfiram does not produce toleranc Isolated from Acorus calamus (sweet flag)

   

Methyl 1-(methylthio)propyl disulfide

1-(Methyldisulphanyl)-1-(methylsulphanyl)propane

C5H12S3 (168.01011119999998)


Methyl 1-(methylthio)propyl disulfide is found in onion-family vegetables. Methyl 1-(methylthio)propyl disulfide is a constituent of Allium cepa (onion) juice, Allium fistulosum (Welsh onion) and Allium tuberosum (Chinese chives). Constituent of Allium cepa (onion) juice, Allium fistulosum (Welsh onion) and Allium tuberosum (Chinese chives). Methyl 1-(methylthio)propyl disulfide is found in garden onion and onion-family vegetables.

   

Ethyl 1-(methylthio)ethyl disulfide

1-(Ethyldisulphanyl)-1-(methylsulphanyl)ethane

C5H12S3 (168.01011119999998)


Ethyl 1-(methylthio)ethyl disulfide is found in fruits. Ethyl 1-(methylthio)ethyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl 1-(methylthio)ethyl disulfide is found in fruits.

   

Ethyl (ethylthio)methyl disulfide

{[(ethylsulphanyl)methyl]disulphanyl}ethane

C5H12S3 (168.01011119999998)


Ethyl (ethylthio)methyl disulfide is found in fruits. Ethyl (ethylthio)methyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl (ethylthio)methyl disulfide is found in fruits.

   

1-(Ethylthio)ethyl methyl disulfide

1-(Ethylsulphanyl)-1-(methyldisulphanyl)ethane

C5H12S3 (168.01011119999998)


1-(Ethylthio)ethyl methyl disulfide is found in fruits. 1-(Ethylthio)ethyl methyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). 1-(Ethylthio)ethyl methyl disulfide is found in fruits.

   

Hexafluoroisopropanol

2,2,2-Trifluoro-1-(trifluoromethyl)ethanol

C3H2F6O (168.0009834)


Hexafluoroisopropanol is a metabolite of sevoflurane. Sevoflurane (1,1,1,3,3,3-hexafluoro-2-propane), also called fluoromethyl hexafluoroisopropyl ether, is a sweet-smelling, nonflammable, highly fluorinated methyl isopropyl ether used for induction and maintenance of general anesthesia. Together with desflurane, it is replacing isoflurane and halothane in modern anesthesiology. It is often administered in a mixture of nitrous oxide and oxygen. After desflurane, it is the volatile anesthetic with the fastest onset and offset. (Wikipedia)

   

3, 5-Dihydroxyphenylacetic acid

2-(3,5-Dihydroxyphenyl)acetic acid

C8H8O4 (168.0422568)


3, 5-dihydroxyphenylacetic acid is classified as a member of the resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 3, 5-dihydroxyphenylacetic acid is considered to be a slightly soluble (in water) and a weak acidic compound. 3, 5-dihydroxyphenylacetic acid can be found in humans.

   

(Phenylthio)acetic acid

2-(Phenylsulphanyl)acetic acid

C8H8O2S (168.0244988)


   

1-Propanol, hexafluoro-

1,1,1,3,3,3-hexafluoro-2-propanol

C3H2F6O (168.0009834)


   

1,1,1,2,3,3-Hexafluoro-2-propanol

1,1,1,2,3,3-Hexafluoro-2-propanol

C3H2F6O (168.0009834)


D001697 - Biomedical and Dental Materials

   

1,3-Dinitrobenzene

Meta-dinitrobenzene

C6H4N2O4 (168.0171064)


   

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-

4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (3aR,4S,7R,7aS)-rel-

C8H8O4 (168.0422568)


   

6-Thioxanthine

6-Sulphanyl-9H-purin-2-ol

C5H4N4OS (168.01058139999998)


   

Dehydroacetic acid

3-acetyl-6-methyl-3,4-dihydro-2H-pyran-2,4-dione

C8H8O4 (168.0422568)


   

Pentafluorobenzene

1,2,3,4,5-pentafluorobenzene

C6HF5 (167.9998406)


   

1-(2,4-Dihydroxyphenyl)-2-hydroxyethanone

1-(2,4-dihydroxyphenyl)-2-hydroxyethan-1-one

C8H8O4 (168.0422568)


   

(3,4-Dihydroxyphenyl) acetate

3,4-dihydroxyphenyl acetic acid

C8H8O4 (168.0422568)


   

Ethyl propyl trisulfide

1-(Ethyltrisulfanyl)propane

C5H12S3 (168.01011119999998)


It is used as a food additive .

   

L-glyceraldehyde 3-phosphate

Glyceraldehyde 3-phosphoric acid dianion

C3H5O6P (167.98237600000002)


L-glyceraldehyde 3-phosphate, also known as 3 phosphoglyceraldehyde, is a member of the class of compounds known as glyceraldehyde-3-phosphates. Glyceraldehyde-3-phosphates are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group. L-glyceraldehyde 3-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). L-glyceraldehyde 3-phosphate can be found in a number of food items such as fruits, cowpea, common sage, and brussel sprouts, which makes L-glyceraldehyde 3-phosphate a potential biomarker for the consumption of these food products.

   

uric acid

uric acid

C5H4N4O3 (168.0283394)


D020011 - Protective Agents > D000975 - Antioxidants Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2]. Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2].

   
   

4-(Methylthio)benzoic acid

4-(Methylthio)benzoic acid

C8H8O2S (168.0244988)


   

4-Chloropropiophenone

4-Chloropropiophenone

C9H9ClO (168.0341894)


   

5-(2-furyl)-1,3,4-oxadiazole-2-thiol

5-(2-furyl)-1,3,4-oxadiazole-2-thiol

C6H4N2O2S (167.9993484)


   

2,3-Pyrazinedicarboxylic acid

2,3-Pyrazinedicarboxylic acid

C6H4N2O4 (168.0171064)


   

1,3-Dinitrobenzene

1,3-Dinitrobenzene

C6H4N2O4 (168.0171064)


CONFIDENCE standard compound; INTERNAL_ID 39

   
   

4-Hydroxy-1,2-dithiolane-3-methanol 2-oxide

4-Hydroxy-1,2-dithiolane-3-methanol 2-oxide

C4H8O3S2 (167.9914858)


   
   

3,3-dichloro-acrylic acid ethyl ester

3,3-dichloro-acrylic acid ethyl ester

C5H6Cl2O2 (167.9744836)


   

1,2-Dithiolane-3-methanol, 4-hydroxy-, 1-oxide

1,2-Dithiolane-3-methanol, 4-hydroxy-, 1-oxide

C4H8O3S2 (167.9914858)


   

3-Phenylpropanoyl chloride

3-Phenylpropanoyl chloride

C9H9ClO (168.0341894)


   
   
   

Urate

InChI=1\C5H4N4O3\c10-3-1-2(7-4(11)6-1)8-5(12)9-3\h(H4,6,7,8,9,10,11,12

C5H4N4O3 (168.0283394)


D020011 - Protective Agents > D000975 - Antioxidants Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2]. Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2].

   
   

2-dihydroxyphosphinoyloxyacrylic acid

Phosphoenolpyruvic Acid Trisodium Salt monohydrate

C3H5O6P (167.98237600000002)


   

Phosphoenolpyruvic acid

2-dihydroxyphosphinoyloxyacrylic acid

C3H5O6P (167.98237600000002)


A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis.

   

uric acid

uric acid

C5H4N4O3 (168.0283394)


D020011 - Protective Agents > D000975 - Antioxidants MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LEHOTFFKMJEONL_STSL_0178_Uric acid_0500fmol_180430_S2_LC02_MS02_188; 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. Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2]. Uric acid, scavenger of oxygen radical, is a very important antioxidant that help maintains the stability of blood pressure and antioxidant stress. Uric acid can remove reactive oxygen species (ROS) such as singlet oxygen and peroxynitrite, inhibiting lipid peroxidation[1][2].

   
   
   

MESO-TARTARIC ACID

MESO-TARTARIC ACID

C4H8O7 (168.0270018)


   

Uric acid; LC-tDDA; CE10

Uric acid; LC-tDDA; CE10

C5H4N4O3 (168.0283394)


   

Uric acid; LC-tDDA; CE20

Uric acid; LC-tDDA; CE20

C5H4N4O3 (168.0283394)


   

Uric acid; LC-tDDA; CE30

Uric acid; LC-tDDA; CE30

C5H4N4O3 (168.0283394)


   

Uric acid; LC-tDDA; CE40

Uric acid; LC-tDDA; CE40

C5H4N4O3 (168.0283394)


   

phosphoenolpyruvate

2-dihydroxyphosphinoyloxyacrylic acid

C3H5O6P (167.98237600000002)


   

Hexafluoroisopropanol

1,1,1,3,3,3-Hexafluoro-2-hydroxypropane

C3H2F6O (168.0009834)


   

Methylthiobenzoic acid

4-Methylthio benzoic acid

C8H8O2S (168.0244988)


   

3-thio-Pheneacrylic Acid methyl ester

3-(3-thienyl)-2-propenoic acid, methyl ester

C8H8O2S (168.0244988)


   

6-Thioxanthine

6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one

C5H4N4OS (168.01058139999998)


   

4-Ethyl-2,3,5-trithiahexane

1-(methyldisulfanyl)-1-(methylsulfanyl)propane

C5H12S3 (168.01011119999998)


   

Ethyl 1-(methylthio)ethyl disulfide

1-(ethyldisulfanyl)-1-(methylsulfanyl)ethane

C5H12S3 (168.01011119999998)


   

3,4,6-Trithiaoctane

{[(ethylsulfanyl)methyl]disulfanyl}ethane

C5H12S3 (168.01011119999998)


   

4-Methyl-2,3,5-trithiaheptane

1-(ethylsulfanyl)-1-(methyldisulfanyl)ethane

C5H12S3 (168.01011119999998)


   

BBT(OH)2

4-(thiophen-2-yl)but-3-yne-1,2-diol

C8H8O2S (168.0244988)


   

4,6-Pyrimidinedicarboxylic acid

4,6-Pyrimidinedicarboxylic acid

C6H4N2O4 (168.0171064)


   

5-Amino[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one

5-Amino[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one

C5H4N4OS (168.01058139999998)


   

2-(2,4-CYCLOPENTADIEN-1-YLIDENE)-1,3-DITHIOLANE

2-(2,4-CYCLOPENTADIEN-1-YLIDENE)-1,3-DITHIOLANE

C8H8S2 (168.0067408)


   

4-AMINO-2-CHLOROPYRROLO[3,2-D]PYRIMIDINE

4-AMINO-2-CHLOROPYRROLO[3,2-D]PYRIMIDINE

C6H5ClN4 (168.020272)


   

3-(2-chlorophenyl)propanal

3-(2-chlorophenyl)propanal

C9H9ClO (168.0341894)


   

ethyl 2-chloro-2-methylsulfanylacetate

ethyl 2-chloro-2-methylsulfanylacetate

C5H9ClO2S (168.00117640000002)


   

2,2,2-Trifluoroethyl methacrylate

2,2,2-Trifluoroethyl methacrylate

C6H7F3O2 (168.03981180000002)


   

5-CHLORO-6-BENZOXAZOLAMINE

5-CHLORO-6-BENZOXAZOLAMINE

C7H5ClN2O (168.009039)


   
   

O,S-DIETHYL METHYLPHOSPHONOTHIOATE

O,S-DIETHYL METHYLPHOSPHONOTHIOATE

C5H13O2PS (168.03738479999998)


   

Monoethylphosphonoacetic acid

Monoethylphosphonoacetic acid

C4H9O5P (168.0187594)


   

4-HYDROXY-2-TRIFLUOROMETHYLPENTANOIC ACID LACTONE

4-HYDROXY-2-TRIFLUOROMETHYLPENTANOIC ACID LACTONE

C6H7F3O2 (168.03981180000002)


   

Thieno[2,3-d]pyrimidine-2,4-diol

Thieno[2,3-d]pyrimidine-2,4-diol

C6H4N2O2S (167.9993484)


   

5-Chloro-2,4,6-trifluoropyrimidine

5-Chloro-2,4,6-trifluoropyrimidine

C4ClF3N2 (167.97021059999997)


   

3-(methylthio) benzoic acid

3-(methylthio) benzoic acid

C8H8O2S (168.0244988)


   

Thieno[3,2-d]pyrimidine-2,4-diol

Thieno[3,2-d]pyrimidine-2,4-diol

C6H4N2O2S (167.9993484)


   

6-Chloro-7-deazaguanine

6-Chloro-7-deazaguanine

C6H5ClN4 (168.020272)


   

1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one

1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one

C7H5ClN2O (168.009039)


   

6H-Purin-6-one,1,7,8,9-tetrahydro-8-thioxo-

6H-Purin-6-one,1,7,8,9-tetrahydro-8-thioxo-

C5H4N4OS (168.01058139999998)


   

6-Chloro-4-methoxynicotinonitrile

6-Chloro-4-methoxynicotinonitrile

C7H5ClN2O (168.009039)


   

2-Ethylbenzoyl chloride

2-Ethylbenzoyl chloride

C9H9ClO (168.0341894)


   

ethyl bromoacetate-2,2-d2

ethyl bromoacetate-2,2-d2

C4H5BrD2O2 (167.975492556)


   

(3-Fluoro-2-formylphenyl)boronic acid

(3-Fluoro-2-formylphenyl)boronic acid

C7H6BFO3 (168.0394008)


   

1-(Trifluoromethyl)cyclobutanecarboxylic acid

1-(Trifluoromethyl)cyclobutanecarboxylic acid

C6H7F3O2 (168.03981180000002)


   

6-CHLORO-2-METHOXYNICOTINONITRILE

6-CHLORO-2-METHOXYNICOTINONITRILE

C7H5ClN2O (168.009039)


   

2,2-Difluoropentanedioic acid

2,2-Difluoropentanedioic acid

C5H6F2O4 (168.023414)


   

5-(METHYLTHIO)BENZO[D][1,3]DIOXOLE

5-(METHYLTHIO)BENZO[D][1,3]DIOXOLE

C8H8O2S (168.0244988)


   

4,5-Pyrimidinedicarboxylic acid

4,5-Pyrimidinedicarboxylic acid

C6H4N2O4 (168.0171064)


   

4-Chloro-1-benzothiophene

4-Chloro-1-benzothiophene

C8H5ClS (167.980048)


   

6-CHLORO-2-METHYL-S-TRIAZOLO[1,5-B]PYRIDAZINE

6-CHLORO-2-METHYL-S-TRIAZOLO[1,5-B]PYRIDAZINE

C6H5ClN4 (168.020272)


   

THIENO[3,4-D]PYRIMIDINE-2,4-DIOL

THIENO[3,4-D]PYRIMIDINE-2,4-DIOL

C6H4N2O2S (167.9993484)


   

Phenyldithioformic acid methyl ester

Phenyldithioformic acid methyl ester

C8H8S2 (168.0067408)


   

4-Phosphonobutanoic acid

4-Phosphonobutanoic acid

C4H9O5P (168.0187594)


   
   

3-Chloropropiophenone

3-Chloropropiophenone

C9H9ClO (168.0341894)


   

1-(3-Chlorophenyl)acetone

1-(3-Chlorophenyl)acetone

C9H9ClO (168.0341894)


   

6-methoxypyridine-3-carbothioamide

6-methoxypyridine-3-carbothioamide

C7H8N2OS (168.03573179999998)


   

Methyl 2-sulfanylbenzoate

Methyl 2-sulfanylbenzoate

C8H8O2S (168.0244988)


   

2-(Methylsulfanyl)benzoic acid

2-(Methylsulfanyl)benzoic acid

C8H8O2S (168.0244988)


   

Methyl 4-Mercaptobenzoate

Methyl 4-Mercaptobenzoate

C8H8O2S (168.0244988)


   

2-Amino-6-chlorobenzoxazole

2-Amino-6-chlorobenzoxazole

C7H5ClN2O (168.009039)


   

1,1-Dichloro-4-methyl-4-penten-2-ol

1,1-Dichloro-4-methyl-4-penten-2-ol

C6H10Cl2O (168.01086700000002)


   

6-Chloro-1,2-benzoxazol-3-amine

6-Chloro-1,2-benzoxazol-3-amine

C7H5ClN2O (168.009039)


   

Benzenecarbothioicacid, S-(hydroxymethyl) ester

Benzenecarbothioicacid, S-(hydroxymethyl) ester

C8H8O2S (168.0244988)


   

1-Chloro-3-phenylacetone

1-Chloro-3-phenylacetone

C9H9ClO (168.0341894)


   

7,9-dihydro-3H-purine-2,6,8-trione

7,9-dihydro-3H-purine-2,6,8-trione

C5H4N4O3 (168.0283394)


   

2-Nitro-4-pyridinecarboxylic acid

2-Nitro-4-pyridinecarboxylic acid

C6H4N2O4 (168.0171064)


   

2-Mercapto-6,7-dihydro-3H-cyclopentapyrimidin-4(5H)-one

2-Mercapto-6,7-dihydro-3H-cyclopentapyrimidin-4(5H)-one

C7H8N2OS (168.03573179999998)


   
   

6-CHLOROISOCHROMAN

6-CHLOROISOCHROMAN

C9H9ClO (168.0341894)


   

5-chloro-2,3-dihydro-1H-inden-1-ol

5-chloro-2,3-dihydro-1H-inden-1-ol

C9H9ClO (168.0341894)


   

Cyclobutylmethanesulfonyl chloride

Cyclobutylmethanesulfonyl chloride

C5H9ClO2S (168.00117640000002)


   

3-Chloro-4-hydroxy-5-azaindole

3-Chloro-4-hydroxy-5-azaindole

C7H5ClN2O (168.009039)


   

4-chloro-2,3-dihydro-1H-inden-1-ol

4-chloro-2,3-dihydro-1H-inden-1-ol

C9H9ClO (168.0341894)


   

2-Deoxy-2,2-difluoro-D-threo-pentonic acid γ-lactone

2-Deoxy-2,2-difluoro-D-threo-pentonic acid γ-lactone

C5H6F2O4 (168.023414)


   

(2-Fluoro-4-formylphenyl)boronic acid

(2-Fluoro-4-formylphenyl)boronic acid

C7H6BFO3 (168.0394008)


   

1-[3-(Chloromethyl)phenyl]ethanone

1-[3-(Chloromethyl)phenyl]ethanone

C9H9ClO (168.0341894)


   

[2-(Methylsulfanyl)phenyl]boronic acid

[2-(Methylsulfanyl)phenyl]boronic acid

C7H9BO2S (168.0416284)


   

2-Chloro-1,3-dimethylimidazolidinium chloride

2-Chloro-1,3-dimethylimidazolidinium chloride

C5H10Cl2N2 (168.02210000000002)


   

1-Bromo-2-(methoxymethoxy)ethane

1-Bromo-2-(methoxymethoxy)ethane

C4H9BrO2 (167.9785874)


   

2,5-dimethylbenzoyl chloride

2,5-dimethylbenzoyl chloride

C9H9ClO (168.0341894)


   

1-(5-acetylthiophen-2-yl)ethanone

1-(5-acetylthiophen-2-yl)ethanone

C8H8O2S (168.0244988)


   

glycylglycine hydrochloride

glycylglycine hydrochloride

C4H9ClN2O3 (168.0301674)


   

P-TOLYLACETYLCHLORIDE

P-TOLYLACETYLCHLORIDE

C9H9ClO (168.0341894)


   

4-Chloro-1H-pyrrolo[2,3-d]pyrimidin-5-amine

4-Chloro-1H-pyrrolo[2,3-d]pyrimidin-5-amine

C6H5ClN4 (168.020272)


   

7-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

7-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

C6H5ClN4 (168.020272)


   

(2-Methylphenyl)acetyl chloride

(2-Methylphenyl)acetyl chloride

C9H9ClO (168.0341894)


   

5-Chloro-1H-benzo[d]imidazol-2(3H)-one

5-Chloro-1H-benzo[d]imidazol-2(3H)-one

C7H5ClN2O (168.009039)


   

Benzothiazole, 2-amino-7-fluoro- (8CI)

Benzothiazole, 2-amino-7-fluoro- (8CI)

C7H5FN2S (168.0157462)


   

9H-Purine,2-chloro-6-methyl-

9H-Purine,2-chloro-6-methyl-

C6H5ClN4 (168.020272)


   

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester

2-Butenoic acid,4,4,4-trifluoro-, ethyl ester

C6H7F3O2 (168.03981180000002)


   

3-Nitroisonicotinic acid

3-Nitroisonicotinic acid

C6H4N2O4 (168.0171064)


   

6,8-DIHYDRO-5H-IMIDAZO[2,1-C][1,4]THIAZINE-2-CARBALDEHYDE

6,8-DIHYDRO-5H-IMIDAZO[2,1-C][1,4]THIAZINE-2-CARBALDEHYDE

C7H8N2OS (168.03573179999998)


   

6-CHLORO-4-METHOXYPICOLINONITRILE

6-CHLORO-4-METHOXYPICOLINONITRILE

C7H5ClN2O (168.009039)


   

4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIDAZINE

4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIDAZINE

C6H5ClN4 (168.020272)


   

4-CHLORO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

4-CHLORO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

C7H5ClN2O (168.009039)


   

(3Z)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

(3Z)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

C6H7F3O2 (168.03981180000002)


   

5-Nitro-2-pyridinecarboxylic acid

5-Nitro-2-pyridinecarboxylic acid

C6H4N2O4 (168.0171064)


   
   

6-CHLORO-2-METHYL-9H-PURINE

6-CHLORO-2-METHYL-9H-PURINE

C6H5ClN4 (168.020272)


   

4-Chloro-1H-indazol-5-ol

4-Chloro-1H-indazol-5-ol

C7H5ClN2O (168.009039)


   

Benzene, [(3-chloro-2-propenyl)oxy]-

Benzene, [(3-chloro-2-propenyl)oxy]-

C9H9ClO (168.0341894)


   
   
   
   

3,5-difluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

3,5-difluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

C9H6F2O (168.03866899999997)


   

2-Amino-6-fluorobenzothiazole

2-Amino-6-fluorobenzothiazole

C7H5FN2S (168.0157462)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-BROMOBUTYROPHENONE

4-BROMOBUTYROPHENONE

C8H8O2S (168.0244988)


   

3-(3-Methyl-2-thienyl)acrylic acid

3-(3-Methyl-2-thienyl)acrylic acid

C8H8O2S (168.0244988)


   

Imidazo[2,1-b]thiazole-2-carboxylic acid

Imidazo[2,1-b]thiazole-2-carboxylic acid

C6H4N2O2S (167.9993484)


   

9H-Purine, 6-chloro-8-methyl-

9H-Purine, 6-chloro-8-methyl-

C6H5ClN4 (168.020272)


   

5-Fluoro-1,3-benzothiazol-2-amine

5-Fluoro-1,3-benzothiazol-2-amine

C7H5FN2S (168.0157462)


   

flupropanate-sodium

flupropanate-sodium

C3HF4NaO2 (167.9810374)


   

5-Chloro-1,2-dihydro-3H-indazol-3-one

5-Chloro-1,2-dihydro-3H-indazol-3-one

C7H5ClN2O (168.009039)


   

3-amino-5-chloro-6-methyl-pyrazine-2-carbonitrile

3-amino-5-chloro-6-methyl-pyrazine-2-carbonitrile

C6H5ClN4 (168.020272)


   

4-Chlorine-1,2-benzisoxazol-3-amine

4-Chlorine-1,2-benzisoxazol-3-amine

C7H5ClN2O (168.009039)


   
   

5-Nitropyridine-2-boronic acid

5-Nitropyridine-2-boronic acid

C5H5BN2O4 (168.034236)


   

Bromo-PEG2-alcohol

Bromo-PEG2-alcohol

C4H9BrO2 (167.9785874)


   

4-chloro-6-methylfuro[2,3-d]pyrimidine

4-chloro-6-methylfuro[2,3-d]pyrimidine

C7H5ClN2O (168.009039)


   

3-fluoro-4-formylbenzoic acid

3-fluoro-4-formylbenzoic acid

C8H5FO3 (168.0222712)


   

Allyl 4-chlorophenyl ether

Allyl 4-chlorophenyl ether

C9H9ClO (168.0341894)


   

1H-Indazol-6-ol,7-chloro-

1H-Indazol-6-ol,7-chloro-

C7H5ClN2O (168.009039)


   

2-Chloro-5-Methoxynicotinonitrile

2-Chloro-5-Methoxynicotinonitrile

C7H5ClN2O (168.009039)


   

2,2-DICHLORO-1-METHYLCYCLOPROPANECARBOXYLIC ACID

2,2-DICHLORO-1-METHYLCYCLOPROPANECARBOXYLIC ACID

C5H6Cl2O2 (167.9744836)


   

5-CHLOROISOBENZOFURAN-1(3H)-ONE

5-CHLOROISOBENZOFURAN-1(3H)-ONE

C8H5ClO2 (167.99780600000003)


   

2-Amino-6-chloroimidazo[1,2-b]pyridazine

2-Amino-6-chloroimidazo[1,2-b]pyridazine

C6H5ClN4 (168.020272)


   

6-Chloro-3H-imidazo[4,5-c]pyridin-4-amine

6-Chloro-3H-imidazo[4,5-c]pyridin-4-amine

C6H5ClN4 (168.020272)


   

4-chloro-2,2-dimethylbutanoyl chloride

4-chloro-2,2-dimethylbutanoyl chloride

C6H10Cl2O (168.01086700000002)


   

3-Buten-1-yl(dichloro)methylsilane

3-Buten-1-yl(dichloro)methylsilane

C5H10Cl2Si (167.99288)


   
   

4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine

C6H5ClN4 (168.020272)


   

3,4-dimethylbenzene-1-carbonyl chloride

3,4-dimethylbenzene-1-carbonyl chloride

C9H9ClO (168.0341894)


   

2-FLUORO-3-FORMYLPHENYLBORONIC ACID

2-FLUORO-3-FORMYLPHENYLBORONIC ACID

C7H6BFO3 (168.0394008)


   

Phenyl-vinylsulfon

Phenyl-vinylsulfon

C8H8O2S (168.0244988)


   

4-Chloro-1,2-dihydro-3H-indazol-3-one

4-Chloro-1,2-dihydro-3H-indazol-3-one

C7H5ClN2O (168.009039)


   

6-Chloroimidazo[1,2-b]pyridazin-3-amine

6-Chloroimidazo[1,2-b]pyridazin-3-amine

C6H5ClN4 (168.020272)


   

7-Chloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyrimidine

7-Chloro-5-Methyl-[1,2,4]Triazolo[1,5-A]Pyrimidine

C6H5ClN4 (168.020272)


   

2-(METHYLTHIO)-2,4,6-CYCLOHEPTATRIENE-1-THIONE

2-(METHYLTHIO)-2,4,6-CYCLOHEPTATRIENE-1-THIONE

C8H8S2 (168.0067408)


   

Potassium 4-methyl-2-oxopentanoate

Potassium 4-methyl-2-oxopentanoate

C6H9KO3 (168.01887440000002)


   

M-TOLYLACETYLCHLORIDE

M-TOLYLACETYLCHLORIDE

C9H9ClO (168.0341894)


   

3-Chloro-1H-indazol-6-ol

3-Chloro-1H-indazol-6-ol

C7H5ClN2O (168.009039)


   

7-Chloro-1,2-dihydro-3H-indazol-3-one

7-Chloro-1,2-dihydro-3H-indazol-3-one

C7H5ClN2O (168.009039)


   

1H-Inden-1-ol,2-chloro-2,3-dihydro-, (1R,2S)-rel-

1H-Inden-1-ol,2-chloro-2,3-dihydro-, (1R,2S)-rel-

C9H9ClO (168.0341894)


   

4-(Methylthio)phenylboronic acid

4-(Methylthio)phenylboronic acid

C7H9BO2S (168.0416284)


   
   
   

2-CHLOR-9-METHYL-9H-PURINE

2-CHLOR-9-METHYL-9H-PURINE

C6H5ClN4 (168.020272)


   

7-AMINOTHIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE

7-AMINOTHIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE

C5H4N4OS (168.01058139999998)


   

6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

6-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

C6H5ClN4 (168.020272)


   

magnesium,2-oxopentanedioic acid

magnesium,2-oxopentanedioic acid

C5H4MgO5 (167.99092339999999)


   

7-Chloro-1,2-benzoxazol-3-amine

7-Chloro-1,2-benzoxazol-3-amine

C7H5ClN2O (168.009039)


   

7-chloro-2-methyl[1,2,4]triazolo[1,5-c]pyrimidine

7-chloro-2-methyl[1,2,4]triazolo[1,5-c]pyrimidine

C6H5ClN4 (168.020272)


   

5-fluoro-3-hydroxy-3H-2-benzofuran-1-one

5-fluoro-3-hydroxy-3H-2-benzofuran-1-one

C8H5FO3 (168.0222712)


   

5-THIEN-2-YL-1,3,4-OXADIAZOL-2(3H)-ONE

5-THIEN-2-YL-1,3,4-OXADIAZOL-2(3H)-ONE

C6H4N2O2S (167.9993484)


   

1-(2-Chlorophenyl)-1-propanone

1-(2-Chlorophenyl)-1-propanone

C9H9ClO (168.0341894)


   

Ethanone,2-chloro-1-(2-methylphenyl)-(9CI)

Ethanone,2-chloro-1-(2-methylphenyl)-(9CI)

C9H9ClO (168.0341894)


   

1-(2-HYDROXYETHYL)-1H-TETRAZOL-5-YLTHIOL SODIUM SALT

1-(2-HYDROXYETHYL)-1H-TETRAZOL-5-YLTHIOL SODIUM SALT

C3H5N4NaOS (168.008176)


   

2-Allyl-4-Chlorophenol

2-Allyl-4-Chlorophenol

C9H9ClO (168.0341894)


   

7-Chloro-2-benzofuran-1(3H)-one

7-Chloro-2-benzofuran-1(3H)-one

C8H5ClO2 (167.99780600000003)


   

Phenol,2-chloro-6-(2-propen-1-yl)-

Phenol,2-chloro-6-(2-propen-1-yl)-

C9H9ClO (168.0341894)


   

4-Fluoro-3-formylbenzoic acid

4-Fluoro-3-formylbenzoic acid

C8H5FO3 (168.0222712)


   

1-(4-Chlorophenyl)acetone

1-(4-Chlorophenyl)acetone

C9H9ClO (168.0341894)


   

2-MERCAPTOPHENYLACETIC ACID

2-MERCAPTOPHENYLACETIC ACID

C8H8O2S (168.0244988)


   
   

2-nitronicotinic acid

2-nitronicotinic acid

C6H4N2O4 (168.0171064)


   

3-Nitro-2-pyridinecarboxylic acid

3-Nitro-2-pyridinecarboxylic acid

C6H4N2O4 (168.0171064)


   

1-Chloro-1,1,3,3,3-pentafluoropropane

1-Chloro-1,1,3,3,3-pentafluoropropane

C3H2ClF5 (167.9765182)


   

Cyclohexanehexone

Cyclohexanehexone

C6O6 (167.96949)


   

4-chloro-1H-pyrrolo[2,3-b]pyridin-5-ol

4-chloro-1H-pyrrolo[2,3-b]pyridin-5-ol

C7H5ClN2O (168.009039)


   

5-Chloro-7-aza-2-oxindole

5-Chloro-7-aza-2-oxindole

C7H5ClN2O (168.009039)


   

5-Chloro-1H-pyrrolo[2,3-c]pyridin-2(3H)-one

5-Chloro-1H-pyrrolo[2,3-c]pyridin-2(3H)-one

C7H5ClN2O (168.009039)


   

(2S)-2-aminopropanamide,hydrobromide

(2S)-2-aminopropanamide,hydrobromide

C3H9BrN2O (167.98982039999999)


   

4-Fluoro-2-formylphenylboronic acid

4-Fluoro-2-formylphenylboronic acid

C7H6BFO3 (168.0394008)


   

5,6-dihydrothieno[2,3-d]pyridazine-4,7-dione

5,6-dihydrothieno[2,3-d]pyridazine-4,7-dione

C6H4N2O2S (167.9993484)


   

2-(chloromethyl)-oxazolo[5,4-b]pyridine

2-(chloromethyl)-oxazolo[5,4-b]pyridine

C7H5ClN2O (168.009039)


   

5H-Pyrrolo[3,4-b]pyridin-5-one, 2-chloro-6,7-dihydro-

5H-Pyrrolo[3,4-b]pyridin-5-one, 2-chloro-6,7-dihydro-

C7H5ClN2O (168.009039)


   

6-CHLORO-2,3-DIHYDRO-1H-INDEN-1-OL

6-CHLORO-2,3-DIHYDRO-1H-INDEN-1-OL

C9H9ClO (168.0341894)


   

6-fluorobenzo[d]isothiazol-3-amine

6-fluorobenzo[d]isothiazol-3-amine

C7H5FN2S (168.0157462)


   

4-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

4-Chloro-3-methyl-1H-pyrazolo[3,4-d]pyrimidine

C6H5ClN4 (168.020272)


   

magnesium,1-fluoro-2-methanidylbenzene,chloride

magnesium,1-fluoro-2-methanidylbenzene,chloride

C7H6ClFMg (167.99925380000002)


   

7-Chlorobenzo[b]thiophene

7-Chlorobenzo[b]thiophene

C8H5ClS (167.980048)


   

2-phosphonobutyric acid

2-phosphonobutyric acid

C4H9O5P (168.0187594)


   

(2-Chloroethyl)(dimethoxy)methylsilane

(2-Chloroethyl)(dimethoxy)methylsilane

C5H13ClO2Si (168.0373308)


   

CALCIUM ITACONATE

CALCIUM ITACONATE

C5H4CaO4 (167.9735494)


   

5-FLUORO-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE

5-FLUORO-1H-BENZO[D]IMIDAZOLE-2(3H)-THIONE

C7H5FN2S (168.0157462)


   

6-CHLORO-3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

6-CHLORO-3-METHYL[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

C6H5ClN4 (168.020272)


   

1,1-dichlorosilinane

1,1-dichlorosilinane

C5H10Cl2Si (167.99288)


   

2-(2-fluorophenyl)-2-oxoacetic acid

2-(2-fluorophenyl)-2-oxoacetic acid

C8H5FO3 (168.0222712)


   

METHYL-1-(TRIFLUOROMETHYL)CYCLOPROPANECARBOXYLATE

METHYL-1-(TRIFLUOROMETHYL)CYCLOPROPANECARBOXYLATE

C6H7F3O2 (168.03981180000002)


   

3H-1,2-BENZODITHIOL-3-ONE

3H-1,2-BENZODITHIOL-3-ONE

C7H4OS2 (167.9703574)


   

5,6-dihydro-4h-cyclopenta[b]thiophene-2-carboxylic acid

5,6-dihydro-4h-cyclopenta[b]thiophene-2-carboxylic acid

C8H8O2S (168.0244988)


   
   

(2-Fluoro-5-formylphenyl)boronic acid

(2-Fluoro-5-formylphenyl)boronic acid

C7H6BFO3 (168.0394008)


   

4-(Trifluoromethyl)thiazol-2-amine

4-(Trifluoromethyl)thiazol-2-amine

C4H3F3N2S (167.99690339999998)


   

dimethyl 2,2-difluoropropanedioate

dimethyl 2,2-difluoropropanedioate

C5H6F2O4 (168.023414)


   

1,3-BENZENEDICARBOXALDEHYDE, 2-CHLORO-

1,3-BENZENEDICARBOXALDEHYDE, 2-CHLORO-

C8H5ClO2 (167.99780600000003)


   

(E)-2-METHYL-HEPTA-2,6-DIEN-1-OL

(E)-2-METHYL-HEPTA-2,6-DIEN-1-OL

C9H9ClO (168.0341894)


   

3,3-Difluoropentanedioic acid

3,3-Difluoropentanedioic acid

C5H6F2O4 (168.023414)


   

1-bromo-3-methoxypropan-1-ol

1-bromo-3-methoxypropan-1-ol

C4H9BrO2 (167.9785874)


   

3-Chloro-1-phenyl-1-propanone

3-Chloro-1-phenyl-1-propanone

C9H9ClO (168.0341894)


   

pyrazine-2,6-dicarboxylic acid

pyrazine-2,6-dicarboxylic acid

C6H4N2O4 (168.0171064)


   

4-NITRO-3-FORMYLPYRIDINE-OXIDE

4-NITRO-3-FORMYLPYRIDINE-OXIDE

C6H4N2O4 (168.0171064)


   

Imidazo[5,1-b]thiazole-7-carboxylic acid (9CI)

Imidazo[5,1-b]thiazole-7-carboxylic acid (9CI)

C6H4N2O2S (167.9993484)


   

2-Nitropyridine-5-carboxylic acid

2-Nitropyridine-5-carboxylic acid

C6H4N2O4 (168.0171064)


   

3,4-dimethylthieno[2,3-b]thiophene

3,4-dimethylthieno[2,3-b]thiophene

C8H8S2 (168.0067408)


   
   

dimethylmalonyl chloride

dimethylmalonyl chloride

C5H6Cl2O2 (167.9744836)


   

4-Chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

4-Chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine

C6H5ClN4 (168.020272)


   

2-(Chloromethyl)[1,3]oxazolo[4,5-b]pyridine

2-(Chloromethyl)[1,3]oxazolo[4,5-b]pyridine

C7H5ClN2O (168.009039)


   
   

Thiazolo[4,5-c]pyridine-2-thiol

Thiazolo[4,5-c]pyridine-2-thiol

C6H4N2S2 (167.9815904)


   

5-trifluoromethylthiophene-3-one

5-trifluoromethylthiophene-3-one

C5H3F3OS (167.98567039999998)


   

1,2,2-TRIFLUOROETHYL TRIFLUOROMETHYL ETHER

1,2,2-TRIFLUOROETHYL TRIFLUOROMETHYL ETHER

C3H2F6O (168.0009834)


   

Imidazo[2.1-b][1.3]thiazole-6-carboxylic acid

Imidazo[2.1-b][1.3]thiazole-6-carboxylic acid

C6H4N2O2S (167.9993484)


   

3-Chloro-2-benzofuran-1(3H)-one

3-Chloro-2-benzofuran-1(3H)-one

C8H5ClO2 (167.99780600000003)


   

(1S)-1-chloro-1-phenylpropan-2-one

(1S)-1-chloro-1-phenylpropan-2-one

C9H9ClO (168.0341894)


   

1(3H)-Isobenzofuranone,5-chloro-

1(3H)-Isobenzofuranone,5-chloro-

C8H5ClO2 (167.99780600000003)


   

5-(Trifluoromethyl)-1,3-thiazol-2-amine

5-(Trifluoromethyl)-1,3-thiazol-2-amine

C4H3F3N2S (167.99690339999998)


   
   

4-Chloro-2-benzoxazolamine

4-Chloro-2-benzoxazolamine

C7H5ClN2O (168.009039)


   

1-THIEN-2-YL-1,4-DIHYDRO-5H-TETRAZOL-5-ONE

1-THIEN-2-YL-1,4-DIHYDRO-5H-TETRAZOL-5-ONE

C5H4N4OS (168.01058139999998)


   

1,2-Butanediol, 4-bromo-

1,2-Butanediol, 4-bromo-

C4H9BrO2 (167.9785874)


   

6-Chloro-1-benzothiophene

6-Chloro-1-benzothiophene

C8H5ClS (167.980048)


   

6,7-difluoro-2,3-dihydro-1H-inden-1-one

6,7-difluoro-2,3-dihydro-1H-inden-1-one

C9H6F2O (168.03866899999997)


   

4-Chloro-6-Methoxypyridine-3-Carbonitrile

4-Chloro-6-Methoxypyridine-3-Carbonitrile

C7H5ClN2O (168.009039)


   
   

Furo[3,4-D]pyrimidine-2,4,7(1H,3H,5H)-trione

Furo[3,4-d]pyrimidine-2,4,7(3H)-trione,1,5-dihydro-

C6H4N2O4 (168.0171064)


   

5-CHLOROBENZO[D]ISOXAZOL-3-YLAMINE

5-CHLOROBENZO[D]ISOXAZOL-3-YLAMINE

C7H5ClN2O (168.009039)


   

1,3-benzodithiol-2-one

1,3-benzodithiol-2-one

C7H4OS2 (167.9703574)


   

2-AMINO-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE

2-AMINO-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE

C7H8N2OS (168.03573179999998)


   

P-DINITROBENZENE

1,4-Dinitrobenzene

C6H4N2O4 (168.0171064)


   

(2-(Methylthio)phenyl)boronic acid

(2-(Methylthio)phenyl)boronic acid

C7H9BO2S (168.0416284)


   

2-(4-Chlorophenyl)-2-oxoacetaldehyde

2-(4-chlorophenyl)-2-oxo-acetaldehyde

C8H5ClO2 (167.99780600000003)


   
   

2-ETHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE

2-ETHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE

C7H8N2OS (168.03573179999998)


   

6-Chloro-7-methyl-7H-purine

6-Chloro-7-methyl-7H-purine

C6H5ClN4 (168.020272)


   

1,4-Difluoro-2-(prop-2-yn-1-yloxy)benzene

1,4-Difluoro-2-(prop-2-yn-1-yloxy)benzene

C9H6F2O (168.03866899999997)


   
   

Chlorindanol

Chlorindanol

C9H9ClO (168.0341894)


C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent

   

(3-Fluoro-4-formylphenyl)boronic acid

(3-Fluoro-4-formylphenyl)boronic acid

C7H6BFO3 (168.0394008)


   

Alpha-Ketoglutaric acid sodium salt

Alpha-Ketoglutaric acid sodium salt

C5H5NaO5 (168.003468)


   

2,4-Pyrimidinedicarboxylic acid (9CI)

2,4-Pyrimidinedicarboxylic acid (9CI)

C6H4N2O4 (168.0171064)


   
   

pyrido[3,2-d][1,3]thiazole-2-thiol

pyrido[3,2-d][1,3]thiazole-2-thiol

C6H4N2S2 (167.9815904)


   

2-Methoxy-4-pyridinecarbothioamide

2-Methoxy-4-pyridinecarbothioamide

C7H8N2OS (168.03573179999998)


   

2,3-Dihydro-1,4-benzodithiin

2,3-Dihydro-1,4-benzodithiin

C8H8S2 (168.0067408)


   

3-Fluoro-4-thiocyanatoaniline

3-Fluoro-4-thiocyanatoaniline

C7H5FN2S (168.0157462)


   

TRIMETHYL PHOSPHONOFORMATE

TRIMETHYL PHOSPHONOFORMATE

C4H9O5P (168.0187594)


   
   

6-chloro-3,4-dihydro-2H-chromene

6-chloro-3,4-dihydro-2H-chromene

C9H9ClO (168.0341894)


   

m-Chloropropiophenone

m-Chloropropiophenone

C9H9ClO (168.0341894)


   
   

3-(3,4-difluorophenyl)prop-2-yn-1-ol

3-(3,4-difluorophenyl)prop-2-yn-1-ol

C9H6F2O (168.03866899999997)


   

PYRIDAZINE-4,5-DICARBOXYLIC ACID

PYRIDAZINE-4,5-DICARBOXYLIC ACID

C6H4N2O4 (168.0171064)


   

o,o-diethyl methylphosphonothioate

o,o-diethyl methylphosphonothioate

C5H13O2PS (168.03738479999998)


   

methylaminoacetonitrile sulfate

methylaminoacetonitrile sulfate

C3H8N2O4S (168.0204768)


   

1-(2-Chlorophenyl)acetone

1-(2-Chlorophenyl)acetone

C9H9ClO (168.0341894)


   

2-AMINO-5-CHLORO[1,2,4]TRIAZOLO[1,5-A]PYRIDINE

2-AMINO-5-CHLORO[1,2,4]TRIAZOLO[1,5-A]PYRIDINE

C6H5ClN4 (168.020272)


   

5-Chloropyrazolo[1,5-a]pyrimidin-7-amine

5-Chloropyrazolo[1,5-a]pyrimidin-7-amine

C6H5ClN4 (168.020272)


   

6-CHLOROISOBENZOFURAN-1(3H)-ONE

6-CHLOROISOBENZOFURAN-1(3H)-ONE

C8H5ClO2 (167.99780600000003)


   

4-Nitropicolinic acid

4-Nitropicolinic acid

C6H4N2O4 (168.0171064)


   

Chloromethyl p-tolyl ketone

Chloromethyl p-tolyl ketone

C9H9ClO (168.0341894)


   
   

2-Fluoro-5-formylbenzoic acid

2-Fluoro-5-formylbenzoic acid

C8H5FO3 (168.0222712)


   

glutaryl dichloride

glutaryl dichloride

C5H6Cl2O2 (167.9744836)


   

4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE 7-OXIDE

4-CHLORO-1H-PYRROLO[2,3-B]PYRIDINE 7-OXIDE

C7H5ClN2O (168.009039)


   

5-Chloro-1H-pyrrolo[2,3-b]pyridine 7-oxide

5-Chloro-1H-pyrrolo[2,3-b]pyridine 7-oxide

C7H5ClN2O (168.009039)


   

Pyrazine-2,5-dicarboxylic acid

Pyrazine-2,5-dicarboxylic acid

C6H4N2O4 (168.0171064)


   

5-CHLORO-1H-PYRAZOLO[3,4-B]PYRIDIN-3-AMINE

5-CHLORO-1H-PYRAZOLO[3,4-B]PYRIDIN-3-AMINE

C6H5ClN4 (168.020272)


   

3-(4-chlorophenyl)propanal

3-(4-chlorophenyl)propanal

C9H9ClO (168.0341894)


   

4-(mercaptomethyl)benzoic acid

4-(mercaptomethyl)benzoic acid

C8H8O2S (168.0244988)


   

pyrazinedicarboxylic acid

pyrazinedicarboxylic acid

C6H4N2O4 (168.0171064)


   

4-Ethylbenzoyl chloride

4-Ethylbenzoyl chloride

C9H9ClO (168.0341894)


   
   

4-Chloro-2,5-dimethylbenzaldehyde

4-Chloro-2,5-dimethylbenzaldehyde

C9H9ClO (168.0341894)


   

5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-5-CARBOXYLIC ACID

5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-5-CARBOXYLIC ACID

C8H8O2S (168.0244988)


   

2,3-Dimethylbenzoyl chloride

2,3-Dimethylbenzoyl chloride

C9H9ClO (168.0341894)


   

5-Chloro-1-benzothiophene

5-Chloro-1-benzothiophene

C8H5ClS (167.980048)


   

2-Amino-4,7-dihydro-1,3-benzothiazol-6(5H)-one

2-Amino-4,7-dihydro-1,3-benzothiazol-6(5H)-one

C7H8N2OS (168.03573179999998)


   

2-Chloro-1H-pyrrolo[2,3-d]pyrimidin-4-amine

2-Chloro-1H-pyrrolo[2,3-d]pyrimidin-4-amine

C6H5ClN4 (168.020272)


   

3,3-Dichlorocyclobutanecarboxylic acid

3,3-Dichlorocyclobutanecarboxylic acid

C5H6Cl2O2 (167.9744836)


   

1-[2-(Methylthio)-4-pyrimidinyl]-ethanone

1-[2-(Methylthio)-4-pyrimidinyl]-ethanone

C7H8N2OS (168.03573179999998)


   

5-NITRONICOTINIC ACID

5-NITRONICOTINIC ACID

C6H4N2O4 (168.0171064)


   

4-NITRONICOTINIC ACID

4-NITRONICOTINIC ACID

C6H4N2O4 (168.0171064)


   

1-(4-Chloro-3-methylphenyl)ethanone

1-(4-Chloro-3-methylphenyl)ethanone

C9H9ClO (168.0341894)


   

Meso-tartaric acid monohydrate

Meso-tartaric acid monohydrate

C4H8O7 (168.0270018)


   

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde

6,7-Dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde

C7H8N2OS (168.03573179999998)


   

Benzoic acid, 3-bromo-2-Methyl-, ethyl ester

Benzoic acid, 3-bromo-2-Methyl-, ethyl ester

C5H4N4OS (168.01058139999998)


   

4-Chloro-3,5-dimethylbenzaldehyde

4-Chloro-3,5-dimethylbenzaldehyde

C9H9ClO (168.0341894)


   

4-chloro-2-methylfuro[3,2-d]pyrimidine

4-chloro-2-methylfuro[3,2-d]pyrimidine

C7H5ClN2O (168.009039)


   

Thieno[2,3-d]pyrimidine-4-thiol

Thieno[2,3-d]pyrimidine-4-thiol

C6H4N2S2 (167.9815904)


   

2-hydroxy-5-(methylthio)benzaldehyde

2-hydroxy-5-(methylthio)benzaldehyde

C8H8O2S (168.0244988)


   

4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile

4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile

C6H5ClN4 (168.020272)


   

5-Hydroxy-1,3-benzoxathiol-2-one

5-Hydroxy-1,3-benzoxathiol-2-one

C7H4O3S (167.9881154)


   

1H-Inden-1-one,2,2-difluoro-2,3-dihydro-

1H-Inden-1-one,2,2-difluoro-2,3-dihydro-

C9H6F2O (168.03866899999997)


   
   

3-Chloro-1H-indazol-5-ol

3-Chloro-1H-indazol-5-ol

C7H5ClN2O (168.009039)


   

6-Chloro-7-aza-2-oxindole

6-Chloro-7-aza-2-oxindole

C7H5ClN2O (168.009039)


   

6-CHLORO-1H-PYRROLO[3,2-C]PYRIDIN-2(3H)-ONE

6-CHLORO-1H-PYRROLO[3,2-C]PYRIDIN-2(3H)-ONE

C7H5ClN2O (168.009039)


   

4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

4-Chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C6H5ClN4 (168.020272)


   

4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

4-Chloro-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

C7H5ClN2O (168.009039)


   

4-Fluorobenzo[d]thiazol-2-amine

4-Fluorobenzo[d]thiazol-2-amine

C7H5FN2S (168.0157462)


   

Ethyl-(2E)-4,4,4-trifluorbut-2-enoat

Ethyl-(2E)-4,4,4-trifluorbut-2-enoat

C6H7F3O2 (168.03981180000002)


   

1,1,1-trifluorohexane-2,4-dione

1,1,1-trifluorohexane-2,4-dione

C6H7F3O2 (168.03981180000002)


   

nickel(ii) fluoride tetrahydrate

nickel(ii) fluoride tetrahydrate

F2H8NiO4 (167.9744102)


   

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

C6H7F3O2 (168.03981180000002)


   

Bromoacetaldehyde dimethyl acetal

Bromoacetaldehyde dimethyl acetal

C4H9BrO2 (167.9785874)


   

3,6-pyridazinedicarboxylic acid

3,6-pyridazinedicarboxylic acid

C6H4N2O4 (168.0171064)


   

methyl 3-(thien-2-yl)acrylate

methyl 3-(thien-2-yl)acrylate

C8H8O2S (168.0244988)


   
   

3-FLUORO-5-FORMYLPHENYLBORONIC ACID

3-FLUORO-5-FORMYLPHENYLBORONIC ACID

C7H6BFO3 (168.0394008)


   

1H-BENZIMIDAZOL-5-OL, 4-CHLORO

1H-BENZIMIDAZOL-5-OL, 4-CHLORO

C7H5ClN2O (168.009039)


   

8-chloro-3,4-dihydro-2H-chromene

8-chloro-3,4-dihydro-2H-chromene

C9H9ClO (168.0341894)


   
   

6-Nitropyridine-2-carboxylic acid

6-Nitropyridine-2-carboxylic acid

C6H4N2O4 (168.0171064)


   
   

o-chloro-α-methylstyrene oxide

o-chloro-α-methylstyrene oxide

C9H9ClO (168.0341894)


   

2,4-dimethylbenzoyl chloride

2,4-dimethylbenzoyl chloride

C9H9ClO (168.0341894)


   

2,4-Pentanedione,1,5-dichloro-

2,4-Pentanedione,1,5-dichloro-

C5H6Cl2O2 (167.9744836)


   

1 3-dinitrobenzene-ul-14c

1 3-dinitrobenzene-ul-14c

C6H4N2O4 (168.0171064)


   

(5-Fluoro-2-formylphenyl)boronic acid

(5-Fluoro-2-formylphenyl)boronic acid

C7H6BFO3 (168.0394008)


   

5-furan-2-yl-[1,3,4]oxadiazole-2-thiol

5-furan-2-yl-[1,3,4]oxadiazole-2-thiol

C6H4N2O2S (167.9993484)


   

(E)-3-(4-CHLOROPHENYL)PROP-2-EN-1-OL

(E)-3-(4-CHLOROPHENYL)PROP-2-EN-1-OL

C9H9ClO (168.0341894)


   

8H-Imidazo[2,1-c][1,4]thiazine-2-carboxaldehyde,5,6-dihydro-(9CI)

8H-Imidazo[2,1-c][1,4]thiazine-2-carboxaldehyde,5,6-dihydro-(9CI)

C7H8N2OS (168.03573179999998)


   

1-(5-chloro-2-Methylphenyl)ethan-1-one

1-(5-chloro-2-Methylphenyl)ethan-1-one

C9H9ClO (168.0341894)


   

4-CHLORO-2-METHYLACETOPHENONE

4-CHLORO-2-METHYLACETOPHENONE

C9H9ClO (168.0341894)


   

2,5-Pyrimidinedicarboxylicacid(9CI)

2,5-Pyrimidinedicarboxylicacid(9CI)

C6H4N2O4 (168.0171064)


   

2,2-(Methylenedisulfanediyl)diethanol

2,2-(Methylenedisulfanediyl)diethanol

C5H12O2S2 (168.0278692)


   

3,5-Dimethylbenzoyl chloride

3,5-Dimethylbenzoyl chloride

C9H9ClO (168.0341894)


   

Trimethylsilyl methanesulfonate

Trimethylsilyl methanesulfonate

C4H12O3SSi (168.0276402)


   

8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

8-Chloro-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine

C6H5ClN4 (168.020272)


   

1,1,1,3,3,3-hexafluoro-2-propanol

1,1,1,3,3,3-hexafluoro-2-propanol

C3H2F6O (168.0009834)


   

4-AMINO-3-FLUOROPHENYL THIOCYANATE

4-AMINO-3-FLUOROPHENYL THIOCYANATE

C7H5FN2S (168.0157462)


   
   

7-CHLORO-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YLAMINE

7-CHLORO-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YLAMINE

C6H5ClN4 (168.020272)


   

THIAZOLO[4,5-B]PYRIDINE-2(3H)-THIONE

THIAZOLO[4,5-B]PYRIDINE-2(3H)-THIONE

C6H4N2S2 (167.9815904)


   

THIENO[3,2-B]THIOPHENE-2-CARBALDEHYDE

THIENO[3,2-B]THIOPHENE-2-CARBALDEHYDE

C7H4OS2 (167.9703574)


   

6-CHLORO-1H-PYRROLO[3,2-B]PYRIDIN-2(3H)-ONE

6-CHLORO-1H-PYRROLO[3,2-B]PYRIDIN-2(3H)-ONE

C7H5ClN2O (168.009039)


   

3-fluoro-2-methylphenylmagnesium chlori&

3-fluoro-2-methylphenylmagnesium chlori&

C7H6ClFMg (167.99925380000002)


   

6-Chloro-1,2-dihydro-3H-indazol-3-one

6-Chloro-1,2-dihydro-3H-indazol-3-one

C7H5ClN2O (168.009039)


   

Pentafluorobenzene

Pentafluorobenzene

C6HF5 (167.9998406)


   

1,3-Dinitrobenzene-13C6

1,3-Dinitrobenzene-13C6

C6H4N2O4 (168.0171064)


   

6-Chloro-9-methyl-9H-purine

6-Chloro-9-methyl-9H-purine

C6H5ClN4 (168.020272)


   

2-Chloro-4-methoxynicotinonitrile

2-Chloro-4-methoxynicotinonitrile

C7H5ClN2O (168.009039)


   
   
   

Sodium sulfide hydrate (2:1:5)

Sodium sulfide hydrate (2:1:5)

H10Na2O5S (168.004433)


   
   

1-(2-CHLOROPHENYL)IMIDAZOLINE-2-THIONE

1-(2-CHLOROPHENYL)IMIDAZOLINE-2-THIONE

C9H9ClO (168.0341894)


   

4-hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine

4-hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine

C5H4N4OS (168.01058139999998)


   

4-Fluoro-3-formylphenylboronic acid

4-Fluoro-3-formylphenylboronic acid

C7H6BFO3 (168.0394008)


   

1,1,1-trifluoro-4-methoxy-3-penten-2-one

1,1,1-trifluoro-4-methoxy-3-penten-2-one

C6H7F3O2 (168.03981180000002)


   

Imidazo[2,1-b]thiazole-5-carboxylicacid

Imidazo[2,1-b]thiazole-5-carboxylicacid

C6H4N2O2S (167.9993484)


   

2-THIOXO-2,3-DIHYDROPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(1H)-ONE

2-THIOXO-2,3-DIHYDROPYRAZOLO[1,5-A][1,3,5]TRIAZIN-4(1H)-ONE

C5H4N4OS (168.01058139999998)


   

5-AMINO-7-CHLOROIMIDAZO[1,2-A]PYRIMIDINE

5-AMINO-7-CHLOROIMIDAZO[1,2-A]PYRIMIDINE

C6H5ClN4 (168.020272)


   

1,3-Butanedione,1-(2-thienyl)-

1,3-Butanedione,1-(2-thienyl)-

C8H8O2S (168.0244988)


   

2,4-dinitrosoresorcinol

2,4-dinitrosoresorcinol

C6H4N2O4 (168.0171064)


   

1,1-Dichloro-3,3-dimethyl-2-butanone

1,1-Dichloro-3,3-dimethyl-2-butanone

C6H10Cl2O (168.01086700000002)


   

3,5-Bis(difluoromethyl)-1H-pyrazole

3,5-Bis(difluoromethyl)-1H-pyrazole

C5H4F4N2 (168.0310592)


   

2,6-Dimethylbenzoyl chloride

2,6-Dimethylbenzoyl chloride

C9H9ClO (168.0341894)


   

Nicotinamide, 2-hydroxy-6-methylthio- (7CI)

Nicotinamide, 2-hydroxy-6-methylthio- (7CI)

C7H8N2OS (168.03573179999998)


   

2-phenylpropanoyl chloride

2-phenylpropanoyl chloride

C9H9ClO (168.0341894)


   

4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one

4-Chloro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one

C7H5ClN2O (168.009039)


   

4-mercaptophenylacetic acid

4-mercaptophenylacetic acid

C8H8O2S (168.0244988)


   

Ethanone, 1-[2-(methylthio)-5-pyrimidinyl]- (9CI)

Ethanone, 1-[2-(methylthio)-5-pyrimidinyl]- (9CI)

C7H8N2OS (168.03573179999998)


   

4H-PYRROLO[2,3-D]THIAZOLE-5-CARBOXYLIC ACID

4H-PYRROLO[2,3-D]THIAZOLE-5-CARBOXYLIC ACID

C6H4N2O2S (167.9993484)


   

2,1-Benzoxaborole, 5-chloro-1,3-dihydro-1-hydroxy-

2,1-Benzoxaborole, 5-chloro-1,3-dihydro-1-hydroxy-

C7H6BClO2 (168.0149356)


   

(2-Hydroxy-3-oxopropyl) phosphate

(2-Hydroxy-3-oxopropyl) phosphate

C3H5O6P-2 (167.98237600000002)


   
   

5,7-dihydro-1H-purine-2,6,8(9H)-trione

5,7-dihydro-1H-purine-2,6,8(9H)-trione

C5H4N4O3 (168.0283394)


   

(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane

(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane

C3H2F6O (168.0009834)


   

3-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine

3-(4-Amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-amine

C4H4N6O2 (168.03957240000003)


   
   
   
   

Glycerone phosphate(2-)

Glycerone phosphate(2-)

C3H5O6P-2 (167.98237600000002)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

L-Cysteate

L-Cysteate

C3H6NO5S- (167.9966686)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

D-glyceraldehyde 3-phosphate(2-)

D-glyceraldehyde 3-phosphate(2-)

C3H5O6P-2 (167.98237600000002)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

(2S)-3-Sulfolactate

(2S)-3-Sulfolactate

C3H4O6S-2 (167.9728604)


   

2-Hydroxy-3-sulfonatopropanoate

2-Hydroxy-3-sulfonatopropanoate

C3H4O6S-2 (167.9728604)


   

3-Ammonio-2-oxopropyl phosphate(1-)

3-Ammonio-2-oxopropyl phosphate(1-)

C3H7NO5P- (168.00618419999998)


   

3-Amino-2,4-dihydroxybenzoate

3-Amino-2,4-dihydroxybenzoate

C7H6NO4- (168.0296816)


An aminobenzoate that is the conjugate base of 3-amino-2,4-dihydroxybenzoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.

   

5-chloro-5-deoxy-D-ribose

5-chloro-5-deoxy-D-ribose

C5H9ClO4 (168.0189344)


   

(2R)-2-(sulfonatooxy)propanoate

(2R)-2-(sulfonatooxy)propanoate

C3H4O6S-2 (167.9728604)


   
   
   

(S)-2-(sulfonatooxy)propanoate

(S)-2-(sulfonatooxy)propanoate

C3H4O6S-2 (167.9728604)


   
   

2-(Sulfooxy)propanoic acid

2-(Sulfooxy)propanoic acid

C3H4O6S-2 (167.9728604)


   
   
   

6-Hydroxy-3-methyl-2-nitrophenolate

6-Hydroxy-3-methyl-2-nitrophenolate

C7H6NO4- (168.0296816)


   

[(Furan-2-carbonyl)amino]acetate

[(Furan-2-carbonyl)amino]acetate

C7H6NO4- (168.0296816)


   

DESFLURANE

DESFLURANE

C3H2F6O (168.0009834)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics N - Nervous system > N01 - Anesthetics > N01A - Anesthetics, general > N01AB - Halogenated hydrocarbons C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   
   

2-Methylpropanoyl phosphate

2-Methylpropanoyl phosphate

C4H9O5P (168.0187594)


   

Butanoyl dihydrogen phosphate

Butanoyl dihydrogen phosphate

C4H9O5P (168.0187594)


   

2-Oxo-3-(5-oxofuran-2-ylidene)propanoic acid

2-Oxo-3-(5-oxofuran-2-ylidene)propanoic acid

C7H4O5 (168.00587339999998)


   

Glycerone phosphate(2-)

Glycerone phosphate(2-)

C3H5O6P (167.98237600000002)


A dianionic form of glycerone phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

   

D-glyceraldehyde 3-phosphate(2-)

D-glyceraldehyde 3-phosphate(2-)

C3H5O6P (167.98237600000002)


Dianion of D-glyceraldehyde 3-phosphate arising from deprotonation of both OH groups of the phosphate.

   

(S)-3-sulfonatolactate(2-)

(S)-3-sulfonatolactate(2-)

C3H4O6S (167.9728604)


An optically active form of (S)-3-sulfonatolactate having (S)-configuration.

   

glyceraldehyde 3-phosphate(2-)

glyceraldehyde 3-phosphate(2-)

C3H5O6P (167.98237600000002)


An organophosphate oxoanion taht is the dianion of glyceraldehyde 3-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

   

dinitrobenzene

1,2-Dinitrobenzene

C6H4N2O4 (168.0171064)


   

Zoxazolamine

Zoxazolamine

C7H5ClN2O (168.009039)


D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant C26170 - Protective Agent > C921 - Uricosuric Agent D002491 - Central Nervous System Agents

   

1,1,1,3,3,3-hexafluoropropan-2-ol

1,1,1,3,3,3-hexafluoropropan-2-ol

C3H2F6O (168.0009834)


An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.

   

Methyl 1-(methylthio)propyl disulfide

Methyl 1-(methylthio)propyl disulfide

C5H12S3 (168.01011119999998)


   

Ethyl (ethylthio)methyl disulfide

Ethyl (ethylthio)methyl disulfide

C5H12S3 (168.01011119999998)


   

1-(Ethylthio)ethyl methyl disulfide

1-(Ethylthio)ethyl methyl disulfide

C5H12S3 (168.01011119999998)


   

N-(2-furoyl)glycinate

N-(2-furoyl)glycinate

C7H6NO4 (168.0296816)


A monocarboxylic acid anion that is the conjugate base of N-(2-furoyl)glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

2,6-dihydroxy-7,9-dihydro-8H-purin-8-one

2,6-dihydroxy-7,9-dihydro-8H-purin-8-one

C5H4N4O3 (168.0283394)


   

9H-purine-2,6,8-triol

9H-purine-2,6,8-triol

C5H4N4O3 (168.0283394)


   

7H-purine-2,6,8-triol

7H-purine-2,6,8-triol

C5H4N4O3 (168.0283394)


   

1H-Purine-2,6,8-triol

1H-Purine-2,6,8-triol

C5H4N4O3 (168.0283394)


   

L-cysteate(1-)

L-cysteate(1-)

C3H6NO5S (167.9966686)


A L-alpha-amino acid anion that is the conjugate base of L-cysteic acid arising from deprotonation of the carboxy and sulfo groups and protonation of the amino group; major species at pH 7.3.

   

6-hydroxy-1H-purine-2,8(7H,9H)-dione

6-hydroxy-1H-purine-2,8(7H,9H)-dione

C5H4N4O3 (168.0283394)


A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.

   

3-Sulfopyruvic acid

3-Sulfopyruvic acid

C3H4O6S (167.9728604)


A carboxyalkanesulfonic acid comprising pyruvic acid with a sulfo group attached at the C-3 position.

   

7,9-Dihydro-1H-purine-2,6,8(3H)-trione

7,9-Dihydro-1H-purine-2,6,8(3H)-trione

C5H4N4O3 (168.0283394)


An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.

   

Methylpropanoyl phosphate

Methylpropanoyl phosphate

C4H9O5P (168.0187594)


   

4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

1-methyl-3-(sec-butyl)trisulfane

1-methyl-3-(sec-butyl)trisulfane

C5H12S3 (168.01011119999998)


   

(2r)-2-amino-3-sulfopropanimidic acid

(2r)-2-amino-3-sulfopropanimidic acid

C3H8N2O4S (168.0204768)


   

(1s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

(1s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

(1s,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

(1s,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

(1r,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

(1r,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)