Exact Mass: 122.0399

Exact Mass Matches: 122.0399

Found 116 metabolites which its exact mass value is equals to given mass value 122.0399, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Niacinamide

pyridine-3-carboxamide

C6H6N2O (122.048)


Nicotinamide is a white powder. (NTP, 1992) Nicotinamide is a pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor, a metabolite, a cofactor, an antioxidant, a neuroprotective agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, an anti-inflammatory agent, a Sir2 inhibitor, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite, a human urinary metabolite and a geroprotector. It is a vitamin B3, a pyridinecarboxamide and a pyridine alkaloid. It is functionally related to a nicotinic acid. An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. Niacinamide is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Nicotinamide is a natural product found in Mus musculus, Euonymus grandiflorus, and other organisms with data available. Niacinamide is the active form of vitamin B3 and a component of the coenzyme nicotinamide adenine dinucleotide (NAD). Niacinamide acts as a chemo- and radio-sensitizing agent by enhancing tumor blood flow, thereby reducing tumor hypoxia. This agent also inhibits poly(ADP-ribose) polymerases, enzymes involved in the rejoining of DNA strand breaks induced by radiation or chemotherapy. Nicotinamide is a uremic toxin. Uremic toxins can be subdivided into three major groups based upon their chemical and physical characteristics: 1) small, water-soluble, non-protein-bound compounds, such as urea; 2) small, lipid-soluble and/or protein-bound compounds, such as the phenols and 3) larger so-called middle-molecules, such as beta2-microglobulin. Chronic exposure of uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Niacinamide or vitamin B3 is an important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. Niacinamide is used to increase the effect of radiation therapy on tumor cells. Niacin (nicotinic acid) and niacinamide, while both labeled as vitamin B3 also have different applications. Niacinamide is useful in arthritis and early-onset type I diabetes while niacin is an effective reducer of high cholesterol levels. Niacinamide is a metabolite found in or produced by Saccharomyces cerevisiae. An important compound functioning as a component of the coenzyme NAD. Its primary significance is in the prevention and/or cure of blacktongue and PELLAGRA. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. See also: Adenosine; Niacinamide (component of); Dapsone; niacinamide (component of); Adenosine; Niacinamide; Titanium Dioxide (component of) ... View More ... Niacinamide, also known as nicotinamide (NAM), is a form of vitamin B3 found in food and used as a dietary supplement and medication. Niacinamide belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group. Its primary significance is in the prevention and/or cure of blacktongue and pellagra. The structure of nicotinamide consists of a pyridine ring to which a primary amide group is attached in the meta position. It is an amide of nicotinic acid. As an aromatic compound, it undergoes electrophilic substitution reactions and transformations of its two functional groups. Niacinamide and phosphoribosyl pyrophosphate can be converted into nicotinic acid mononucleotide and phosphate by the enzyme nicotinamide phosphoribosyltransferase. In humans, niacinamide is involved in the metabolic disorder called the nad+ signalling pathway (cancer). Niacinamide is an odorless tasting compound. Outside of the human body, niacinamide is found, on average, in the highest concentration within a few different foods, such as common sages, cow milk, and cocoa beans and in a lower concentration in common pea. Niacinamide has also been detected, but not quantified in several different foods, such as yardlong beans, roselles, apples, oyster mushrooms, and swiss chards. Niacinamide occurs in trace amounts mainly in meat, fish, nuts, and mushrooms, as well as to a lesser extent in some vegetables. It is commonly added to cereals and other foods. Many multivitamins contain 20–30 mg of vitamin B3 and it is also available in higher doses. Most animals cannot manufacture this compound in amounts sufficient to prevent nutritional deficiency and it therefore must be supplemented through dietary intake. COVID info from COVID-19 Disease Map, WikiPathways, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. Widespread in plants, e.g. rice, yeast and fungi. Dietary supplement, may be used in infant formulas Nicotinamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=98-92-0 (retrieved 2024-07-01) (CAS RN: 98-92-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4].

   

Benzoic acid

ScavengePore(TM) benzoic acid, macroporous, 40-70 mesh, extent of labeling: 0.5-1.5 mmol per g loading

C7H6O2 (122.0368)


Benzoic acid appears as a white crystalline solid. Slightly soluble in water. The primary hazard is the potential for environmental damage if released. Immediate steps should be taken to limit spread to the environment. Used to make other chemicals, as a food preservative, and for other uses. Benzoic acid is a compound comprising a benzene ring core carrying a carboxylic acid substituent. It has a role as an antimicrobial food preservative, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, a plant metabolite, a human xenobiotic metabolite, an algal metabolite and a drug allergen. It is a conjugate acid of a benzoate. A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. As the sodium salt form, sodium benzoate is used as a treatment for urea cycle disorders due to its ability to bind amino acids. This leads to excretion of these amino acids and a decrease in ammonia levels. Recent research shows that sodium benzoate may be beneficial as an add-on therapy (1 gram/day) in schizophrenia. Total Positive and Negative Syndrome Scale scores dropped by 21\\\\\% compared to placebo. Benzoic acid is a Nitrogen Binding Agent. The mechanism of action of benzoic acid is as an Ammonium Ion Binding Activity. Benzoic acid, C6H5COOH, is a colourless crystalline solid and the simplest aromatic carboxylic acid. Benzoic acid occurs naturally free and bound as benzoic acid esters in many plant and animal species. Appreciable amounts have been found in most berries (around 0.05\\\\\%). Cranberries contain as much as 300-1300 mg free benzoic acid per kg fruit. Benzoic acid is a fungistatic compound that is widely used as a food preservative. It often is conjugated to glycine in the liver and excreted as hippuric acid. Benzoic acid is a byproduct of phenylalanine metabolism in bacteria. It is also produced when gut bacteria process polyphenols (from ingested fruits or beverages). A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid. See also: Salicylic Acid (active moiety of); Benzoyl Peroxide (active moiety of); Sodium Benzoate (active moiety of) ... View More ... Widespread in plants especies in essential oils and fruits, mostly in esterified formand is also present in butter, cooked meats, pork fat, white wine, black and green tea, mushroom and Bourbon vanilla. It is used in foodstuffs as antimicrobial and flavouring agent and as preservative. In practical food preservation, the Na salt of benzoic acid is the most widely used form (see MDQ71-S). The antimicrobial activity comprises a wide range of microorganisms, particularly yeasts and moulds. Undissociated benzoic acid is more effective than dissociated, thus the preservative action is more efficient in acidic foodstuffs. Typical usage levels are 500-2000 ppm. Benzoic acid is found in many foods, some of which are animal foods, common grape, lovage, and fruits. Benzoic acid, C6H5COOH, is a colourless crystalline solid and the simplest aromatic carboxylic acid. Benzoic acid occurs naturally free and bound as benzoic acid esters in many plant and animal species. Appreciable amounts have been found in most berries (around 0.05\\\\\%). Cranberries contain as much as 300-1300 mg free benzoic acid per kg fruit. Benzoic acid is a fungistatic compound that is widely used as a food preservative. It often is conjugated to glycine in the liver and excreted as hippuric acid. Benzoic acid is a byproduct of phenylalanine metabolism in bacteria. It is also produced when gut bacteria process polyphenols (from ingested fruits or beverages). It can be found in Serratia (PMID:23061754). Benzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=65-85-0 (retrieved 2024-06-28) (CAS RN: 65-85-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Benzoic acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi. Benzoic acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi.

   

4-Hydroxybenzaldehyde

4-hydroxybenzaldehyde

C7H6O2 (122.0368)


4-Hydroxybenzaldehyde, also known as 4-formylphenol or 4-hydroxybenzenecarbonal, belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 4-Hydroxybenzaldehyde exists in all living organisms, ranging from bacteria to humans. 4-Hydroxybenzaldehyde is a sweet, almond, and balsam tasting compound. 4-Hydroxybenzaldehyde is found, on average, in the highest concentration within vinegars and oats. 4-Hydroxybenzaldehyde has also been detected, but not quantified, in several different foods, such as cardoons, colorado pinyons, oyster mushrooms, common chokecherries, and potato. This could make 4-hydroxybenzaldehyde a potential biomarker for the consumption of these foods. 4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as a plant metabolite, a mouse metabolite and an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor. 4-Hydroxybenzaldehyde is a natural product found in Ficus septica, Visnea mocanera, and other organisms with data available. Occurs naturally combined in many glycosides. Constituent of vanillin. Isol. in free state from opium poppy (Papaver somniferum) A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 4-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=123-08-0 (retrieved 2024-07-02) (CAS RN: 123-08-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

3-Hydroxybenzaldehyde

Benzaldehyde, 3-hydroxy-

C7H6O2 (122.0368)


3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3. 3-Hydroxybenzaldehyde is a natural product found in Rhytidoponera metallica, Marchantia polymorpha, and other organisms with data available. 3-Hydroxybenzaldehyde, also known as 3-hydroxybenzaldehyde or m-hydroxybenzaldehyde, is an organic compound belonging to the class of aromatic aldehydes. Its chemical formula is C7H6O2 and it is characterized by a benzene ring with a hydroxyl group (-OH) and an aldehyde group (-CHO) attached at the meta position on the ring. Biologically, 3-hydroxybenzaldehyde has been found to possess several interesting properties: 1. **Antioxidant Activity**: It exhibits antioxidant properties, which means it can neutralize harmful free radicals in the body. This can be beneficial in reducing oxidative stress, which is associated with various diseases and aging. 2. **Antimicrobial Effects**: 3-Hydroxybenzaldehyde has shown antimicrobial activity against a range of microorganisms, including bacteria and fungi. This makes it a potential candidate for the development of new antimicrobial agents. 3. **Anti-inflammatory Properties**: Some studies have indicated that this compound may have anti-inflammatory effects, which could be useful in the treatment of inflammatory conditions. 4. **Cytotoxicity**: It has been observed to have cytotoxic effects on certain types of cancer cells, suggesting a potential role in cancer therapy. However, more research is needed in this area. 5. **Enzyme Inhibition**: 3-Hydroxybenzaldehyde can inhibit the activity of certain enzymes, which may have implications in the management of conditions where these enzymes play a pathological role. It's important to note that while 3-hydroxybenzaldehyde has these biological properties, its use in practical applications, especially in a medical context, is still largely experimental and requires further research. The compound's effects and safety profile need to be thoroughly evaluated before it can be considered for widespread use in therapeutic or preventive treatments. 3-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=100-83-4 (retrieved 2024-08-06) (CAS RN: 100-83-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1].

   

2-Hydroxybenzaldehyde

2-Hydroxy-1-benzaldehyde

C7H6O2 (122.0368)


2-Hydroxybenzaldehyde, also known as salicylal or O-formylphenol, belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. 2-Hydroxybenzaldehyde is a cinnamon, cooling, and medical tasting compound. 2-Hydroxybenzaldehyde is found, on average, in the highest concentration within peppermints. 2-Hydroxybenzaldehyde has also been detected, but not quantified, in several different foods, such as common buckwheats, garden tomato (var.), herbs and spices, and tea. This could make 2-hydroxybenzaldehyde a potential biomarker for the consumption of these foods. 2-Hydroxybenzaldehyde is a potentially toxic compound. Present in cinnamon (Cinnamomum versum). Flavouring ingredient. 2-Hydroxybenzaldehyde is found in many foods, some of which are garden tomato (variety), herbs and spices, common buckwheat, and tea.

   

Isonicotinamide

Pyridine-4-carboxylic acid amide

C6H6N2O (122.048)


KEIO_ID I051

   

Picolinamide

pyridine-2-carboximidic acid

C6H6N2O (122.048)


KEIO_ID P099

   

Tropolone

2-Hydroxy-2,4,6-cycloheptatrien-1-one

C7H6O2 (122.0368)


Tropolone, a ?tropone derivative with a?hydroxyl group?in the 2-position, is a precursor?of manyazulene derivatives such as?methyl 2-methylazulene-1-carboxylate[1]. Tropolone is a potent inhibitor of mushroom tyrosinase with a IC50 of 0.4 μM, and the inhibition can be reversed by dialysis or by excess CU2+[2].

   

2-Acetylpyrazine

1-(1,4-Dihydro-2-pyrazinyl)ethanone

C6H6N2O (122.048)


2-Acetylpyrazine is a flavouring ingredient. 2-Acetylpyrazine is a component of roasted sesame seed arom Flavouring ingredient. Component of roasted sesame seed aroma Acetylpyrazine (2-Acetylpyrazine) is used to form many polycyclic compounds, as useful structures in pharmaceuticals and perfumes. Acetylpyrazine is a component of the folates (vitamin B compounds)[1].

   

3-(2-Furanyl)-2-propenal

(2Z)-3-(furan-2-yl)prop-2-enal

C7H6O2 (122.0368)


3-(2-Furanyl)-2-propenal is found in alcoholic beverages. 3-(2-Furanyl)-2-propenal is present in rum and coffee. 3-(2-Furanyl)-2-propenal is a flavouring ingredient. Present in rum and coffee. Flavouring ingredient. 3-(2-Furanyl)-2-propenal is found in alcoholic beverages and coffee and coffee products.

   

Thiodiglycol

2-[(2-Hydroxyethyl)sulphanyl]ethan-1-ol

C4H10O2S (122.0401)


Thiodiglycol, or bis(2-hydroxyethyl)sulfide (also known as 2,2-thiodiethanol or TDE), is a viscous, clear to pale-yellow liquid used as a solvent. Its chemical formula is C4H10O2S, or HOCH2CH2SCH2CH2OH. It is miscible with acetone, alcohols, and chloroform. It is soluble in benzene, ether, and tetrachloromethane. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors

   

1,3-Benzodioxole

1,2-(Methylenedioxy)benzene

C7H6O2 (122.0368)


   

3-Aminopicolinaldehyde

3-Amino-2-pyridinecarboxaldehyde

C6H6N2O (122.048)


   

Diethyl sulfone

3,4-Dipropionylhelveticosol

C4H10O2S (122.0401)


   

Imidazotetrazine

5H-imidazo[4,5-e][1,2,3,4]tetrazine

C3H2N6 (122.0341)


   

Pyridine-2-aldoxime

N-[(pyridin-2-yl)methylidene]hydroxylamine

C6H6N2O (122.048)


   

2-(Nitrosomethyl)pyridine

2-(Nitrosomethyl)pyridine

C6H6N2O (122.048)


   

Oxalates

diazaniumyl oxalate

C2H6N2O4 (122.0328)


Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2‚àí 4, also written (COO)2‚àí 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox . Oxalates is slightly soluble (in water) and a moderately basic compound (based on its pKa). Oxalates can be found in cocoa bean and purslane, which makes oxalates a potential biomarker for the consumption of these food products. Oxalate (IUPAC: ethanedioate) is the dianion with the formula C 2O2− 4, also written (COO)2− 2. Either name is often used for derivatives, such as salts of oxalic acid, for example sodium oxalate Na2C2O4, or dimethyl oxalate ((CH3)2C2O4). Oxalate also forms coordination compounds where it is sometimes abbreviated as ox .

   

p-Toluquinone

2-Methylcyclohexa-2,5-diene-1,4-dione

C7H6O2 (122.0368)


   

PHENYL FORMATE

PHENYL FORMATE

C7H6O2 (122.0368)


   

Tropolone

InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9

C7H6O2 (122.0368)


Tropolone is a cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. It has a role as a bacterial metabolite, a toxin and a fungicide. It is a cyclic ketone, an enol and an alpha-hydroxy ketone. It derives from a hydride of a cyclohepta-1,3,5-triene. A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS). A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. Tropolone, a ?tropone derivative with a?hydroxyl group?in the 2-position, is a precursor?of manyazulene derivatives such as?methyl 2-methylazulene-1-carboxylate[1]. Tropolone is a potent inhibitor of mushroom tyrosinase with a IC50 of 0.4 μM, and the inhibition can be reversed by dialysis or by excess CU2+[2].

   

Nicotinamide

Nicotinamide

C6H6N2O (122.048)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; DFPAKSUCGFBDDF_STSL_0168_Niacinamide_0500fmol_180506_S2_LC02_MS02_161; 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. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4].

   

Niacinamide

Nicotinamide

C6H6N2O (122.048)


Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4].

   

p-Hydroxybenzaldehyde

p-Hydroxybenzaldehyde

C7H6O2 (122.0368)


p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

Benzoic Acid

Benzoic Acid

C7H6O2 (122.0368)


Benzoic acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi. Benzoic acid is an aromatic alcohol existing naturally in many plants and is a common additive to food, drinks, cosmetics and other products. It acts as preservatives through inhibiting both bacteria and fungi.

   

4-Hydroxybenzaldehyde

4-Hydroxybenzaldehyde

C7H6O2 (122.0368)


p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

2-Hydroxybenzaldehyde

2-Hydroxybenzaldehyde

C7H6O2 (122.0368)


   

2-Acetylpyrazine

2-Acetylpyrazine

C6H6N2O (122.048)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; DBZAKQWXICEWNW-UHFFFAOYSA-N_STSL_0202_2-Acetylpyrazine_0125fmol_180831_S2_L02M02_11; 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.

   

benzoate

benzoate

C7H6O2 (122.0368)


   

Benzoic acid; LC-tDDA; CE10

Benzoic acid; LC-tDDA; CE10

C7H6O2 (122.0368)


   

NIACINAMIDE_major

NIACINAMIDE_major

C6H6N2O (122.048)


   

Sodium Benzoate

Sodium Benzoate

C7H6O2 (122.0368)


   

thiodiglycol

thiodiglycol

C4H10O2S (122.0401)


A diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D004791 - Enzyme Inhibitors

   

Acetylpyrazine

1-(1,4-Dihydro-2-pyrazinyl)ethanone

C6H6N2O (122.048)


Acetylpyrazine (2-Acetylpyrazine) is used to form many polycyclic compounds, as useful structures in pharmaceuticals and perfumes. Acetylpyrazine is a component of the folates (vitamin B compounds)[1].

   

&beta

(2Z)-3-(furan-2-yl)prop-2-enal

C7H6O2 (122.0368)


   

2-(chloromethoxy)-2-methylpropane

2-(chloromethoxy)-2-methylpropane

C5H11ClO (122.0498)


   

2-Methylpyrimidine-5-carbaldehyde

2-Methylpyrimidine-5-carbaldehyde

C6H6N2O (122.048)


   

1,1,2-TRIFLUORO-1,3-PENTADIENE

1,1,2-TRIFLUORO-1,3-PENTADIENE

C5H5F3 (122.0343)


   

Furylacrolein

2-Propenal,3-(2-furanyl)-, (2E)-

C7H6O2 (122.0368)


   

Isopropyl Methyl Sulfone

Isopropyl Methyl Sulfone

C4H10O2S (122.0401)


   

METHYL 2-FLUORO-3-HYDROXYPROPANOATE

METHYL 2-FLUORO-3-HYDROXYPROPANOATE

C4H7FO3 (122.0379)


   

2-(1-Methoxyethylidene)Malononitrile

2-(1-Methoxyethylidene)Malononitrile

C6H6N2O (122.048)


   

benzoic acid-13C

benzoic acid-13C

C7H6O2 (122.0368)


   

2-(2-sulfanylethoxy)ethanol

2-(2-sulfanylethoxy)ethanol

C4H10O2S (122.0401)


   

5-AMINOMETHYL-FURAN-2-CARBONITRILE

5-AMINOMETHYL-FURAN-2-CARBONITRILE

C6H6N2O (122.048)


   

1-Pyridazin-3-ylethanone

1-Pyridazin-3-ylethanone

C6H6N2O (122.048)


   

4-Aminonicotinaldehyde

4-Aminonicotinaldehyde

C6H6N2O (122.048)


   

6-methylpyrazine-2-carboxyaldehyde

6-methylpyrazine-2-carboxyaldehyde

C6H6N2O (122.048)


   

4-methylpyrimidine-2-carbaldehyde

4-methylpyrimidine-2-carbaldehyde

C6H6N2O (122.048)


   

5-Chloro-2-pentanol

5-Chloro-2-pentanol

C5H11ClO (122.0498)


   

2-Methylpyrimidine-4-carbaldehyde

2-Methylpyrimidine-4-carbaldehyde

C6H6N2O (122.048)


   

PICOLINALDEHYDE OXIME

2-Pyridinecarbaldehyde oxime

C6H6N2O (122.048)


   

5H-PYRROLO[1,2-C]IMIDAZOL-7(6H)-ONE

5H-PYRROLO[1,2-C]IMIDAZOL-7(6H)-ONE

C6H6N2O (122.048)


   

5-(aminomethyl)furan-3-carbonitrile

5-(aminomethyl)furan-3-carbonitrile

C6H6N2O (122.048)


   

2-AMINO-4-METHYL-3-FURONITRILE

2-AMINO-4-METHYL-3-FURONITRILE

C6H6N2O (122.048)


   

benzenediazonium,hydroxide

benzenediazonium,hydroxide

C6H6N2O (122.048)


   

1-Chloro-4-methoxybutane

1-Chloro-4-methoxybutane

C5H11ClO (122.0498)


   

3-methylsulfanylpropane-1,2-diol

3-methylsulfanylpropane-1,2-diol

C4H10O2S (122.0401)


   

2-Aminonicotinaldehyde

2-Aminonicotinaldehyde

C6H6N2O (122.048)


   

3-Chloro-2,2-dimethyl-1-propanol

3-Chloro-2,2-dimethyl-1-propanol

C5H11ClO (122.0498)


   

Silanetriol, propyl-, homopolymer

Silanetriol, propyl-, homopolymer

C3H10O3Si (122.0399)


   

diethylphosphinic acid

diethylphosphinic acid

C4H11O2P (122.0497)


   

dimethyl ethylphosphonite

dimethyl ethylphosphonite

C4H11O2P (122.0497)


   

1-(2-Chloroethoxy)propane

1-(2-Chloroethoxy)propane

C5H11ClO (122.0498)


   

4-Acetylpyrimidine

4-Acetylpyrimidine

C6H6N2O (122.048)


   

2-Pyrimidine carboxaldehyde,5-methyl-(9ci)

2-Pyrimidine carboxaldehyde,5-methyl-(9ci)

C6H6N2O (122.048)


   

6-Aminonicotinaldehyde

6-Aminonicotinaldehyde

C6H6N2O (122.048)


   

Chloro(ethyl)dimethylsilane

Chloro(ethyl)dimethylsilane

C4H11ClSi (122.0319)


   

Ethoxymethylenemalononitrile

Ethoxymethylenemalononitrile

C6H6N2O (122.048)


   

DIETHYL SULFONE

DIETHYL SULFONE

C4H10O2S (122.0401)


D020011 - Protective Agents > D002316 - Cardiotonic Agents > D004071 - Digitalis Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

   

benzoic acid[7-14c]

benzoic acid[7-14c]

C7H6O2 (122.0368)


   

2-Aminoisonicotinaldehyde

2-Aminoisonicotinaldehyde

C6H6N2O (122.048)


   

2-Pyridinecarboxaldehyde, 6-amino-

2-Pyridinecarboxaldehyde, 6-amino-

C6H6N2O (122.048)


   

2-(FORMYLAMINO)PYRIDINE

2-(FORMYLAMINO)PYRIDINE

C6H6N2O (122.048)


   

1-(2-Pyrimidinyl)ethanone

1-(2-Pyrimidinyl)ethanone

C6H6N2O (122.048)


   

1-Chloro-3-ethoxypropane

1-Chloro-3-ethoxypropane

C5H11ClO (122.0498)


   

5-chloropentanol

5-chloropentanol

C5H11ClO (122.0498)


   

Guanidine nitrate

Guanidine nitrate

CH6N4O3 (122.044)


   

4-chloro-2-methylbutan-2-ol

4-chloro-2-methylbutan-2-ol

C5H11ClO (122.0498)


   

3-Methyl-2-pyrazinecarbaldehyde

3-Methyl-2-pyrazinecarbaldehyde

C6H6N2O (122.048)


   

pyridine-3-carboxamide

pyridine-3-carboxamide

C6H6N2O (122.048)


   

Trimethoxysilane

Trimethoxysilane

C3H10O3Si (122.0399)


   

1H-imidazo[5,1-c][1,4]oxazine

1H-imidazo[5,1-c][1,4]oxazine

C6H6N2O (122.048)


   

1H-imidazo[2,1-c][1,4]oxazine

1H-imidazo[2,1-c][1,4]oxazine

C6H6N2O (122.048)


   

7H-Pyrrolo[1,2-a]imidazol-7-one,5,6-dihydro-(9CI)

7H-Pyrrolo[1,2-a]imidazol-7-one,5,6-dihydro-(9CI)

C6H6N2O (122.048)


   

Chloromethyltrimethylsilane

(Chloromethyl)trimethylsilane

C4H11ClSi (122.0319)


   

5-Methyl-2-pyrazinecarbaldehyde

5-Methyl-2-pyrazinecarbaldehyde

C6H6N2O (122.048)


   

1-(Pyridazin-4-yl)ethanone

1-(Pyridazin-4-yl)ethanone

C6H6N2O (122.048)


   

3-Amino-4-carboxaldehyde

3-Amino-4-carboxaldehyde

C6H6N2O (122.048)


   

3-pyridinealdoxime

3-pyridinealdoxime

C6H6N2O (122.048)


   

4-AMINO-PYRIDINE-2-CARBALDEHYDE

4-AMINO-PYRIDINE-2-CARBALDEHYDE

C6H6N2O (122.048)


   

benzoic acid-14C

benzoic acid-14C

C7H6O2 (122.0368)


   

4-Pyridinealdoxime

4-Pyridinealdoxime

C6H6N2O (122.048)


   

1-(5-Pyrimidinyl)ethanone

1-(5-Pyrimidinyl)ethanone

C6H6N2O (122.048)


   

1-(chloromethoxy)butane

1-(chloromethoxy)butane

C5H11ClO (122.0498)


   

3,5-DIMETHYLISOXAZOLE-4-CARBONITRILE

3,5-DIMETHYLISOXAZOLE-4-CARBONITRILE

C6H6N2O (122.048)


   

2-(Ethanesulfinyl)ethanol

2-(Ethanesulfinyl)ethanol

C4H10O2S (122.0401)


   

bis(Hydroxymethyl)nitramine

bis(Hydroxymethyl)nitramine

C2H6N2O4 (122.0328)


   

5H-imidazo[2,1-b][1,3]oxazine

5H-imidazo[2,1-b][1,3]oxazine

C6H6N2O (122.048)


   

Pelmin

InChI=1\C6H6N2O\c7-6(9)5-2-1-3-8-4-5\h1-4H,(H2,7,9

C6H6N2O (122.048)


COVID info from COVID-19 Disease Map, WikiPathways, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials A - Alimentary tract and metabolism > A11 - Vitamins C26170 - Protective Agent > C275 - Antioxidant D018977 - Micronutrients > D014815 - Vitamins Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4]. Nicotinamide is a form of vitamin B3 or niacin. Nicotinamide Hydrochloride inhibits SIRT2 activity (IC50: 2 μM). Nicotinamide also inhibits SIRT1. Nicotinamide increases cellular NAD+, ATP, ROS levels. Nicotinamide inhibits tumor growth and improves survival. Nicotinamide also has anti-HBV activity[1][2][3][4].

   

FR-0985

4-08-00-00251 (Beilstein Handbook Reference)

C7H6O2 (122.0368)


p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations. p-Hydroxybenzaldehyde is a one of the major components in vanilla aroma, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.

   

3-Formylphenol

3-Hydroxybenzaldehyde

C7H6O2 (122.0368)


3-Hydroxybenzaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=100-83-4 (retrieved 2024-08-06) (CAS RN: 100-83-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1]. 3-Hydroxybenzaldehyde?is a precursor compound for phenolic compounds, such as Protocatechualdehyde (HY-N0295). 3-Hydroxybenzaldehyde is a substrate of aldehyde dehydrogenase (ALDH) in rats and humans (ALDH2). 3-Hydroxybenzaldehyde has vasculoprotective effects?in vitro and in vivo[1].

   

Salicylal

4-08-00-00176 (Beilstein Handbook Reference)

C7H6O2 (122.0368)


   
   

E-pyridine-3-aldoxime

E-pyridine-3-aldoxime

C6H6N2O (122.048)


   

3-Pyridine aldoxime

3-Pyridine aldoxime

C6H6N2O (122.048)


   

3H-1,2-benzodioxole

3H-1,2-benzodioxole

C7H6O2 (122.0368)


   

SALICYLALDEHYDE

SALICYLALDEHYDE

C7H6O2 (122.0368)


A hydroxybenzaldehyde carrying a hydroxy substituent at position 2.

   

Isonicotinamide

Isonicotinamide

C6H6N2O (122.048)


   

Picolinamide

PYRIDINE-2-CARBOXAMIDE

C6H6N2O (122.048)


   

1,3-Benzodioxole

1,3-Benzodioxole

C7H6O2 (122.0368)


   

Hydroxybenzaldehyde

Hydroxybenzaldehyde

C7H6O2 (122.0368)


   

3-methylcyclohexa-3,5-diene-1,2-dione

3-methylcyclohexa-3,5-diene-1,2-dione

C7H6O2 (122.0368)


   

benzonic acid methyl ester

NA

C7H6O2 (122.0368)


{"Ingredient_id": "HBIN017800","Ingredient_name": "benzonic acid methyl ester","Alias": "NA","Ingredient_formula": "C7H6O2","Ingredient_Smile": "C1=CC=C(C=C1)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

5-methylidenecyclopenta-1,3-diene-1-carboxylic acid

5-methylidenecyclopenta-1,3-diene-1-carboxylic acid

C7H6O2 (122.0368)


   

vitamin b>3<

vitamin b>3<

C6H6N2O (122.048)