Exact Mass: 112.05242679999999
Exact Mass Matches: 112.05242679999999
Found 500 metabolites which its exact mass value is equals to given mass value 112.05242679999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridazine-3,6-diol
D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Uracil
Uracil, also known as U, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Uracil is a common naturally occurring pyrimidine found in RNA. It base pairs with adenine and is replaced by thymine in DNA. Uracil is one of the four nucleobases in RNA that are represented by the letters A, G, C and U. Methylation of uracil produces thymine. The name "uracil" was coined in 1885 by the German chemist Robert Behrend, who was attempting to synthesize derivatives of uric acid. Originally discovered in 1900, uracil was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. Uracil exists in all living species, ranging from bacteria to plants to humans. Uracils use in the body is to help carry out the synthesis of many enzymes necessary for cell function through bonding with riboses and phosphates. Uracil serves as an allosteric regulator and a coenzyme for many important biochemical reactions. Uracil (via the nucleoside uridine) can be phosphorylated by various kinases to produce UMP, UDP and UTP. UDP and UTP regulate carbamoyl phosphate synthetase II (CPSase II) activity in animals. Uracil is also involved in the biosynthesis of polysaccharides and in the transport of sugars containing aldehydes. Within humans, uracil participates in a number of enzymatic reactions. In particular, uracil and ribose 1-phosphate can be biosynthesized from uridine; which is mediated by the enzyme uridine phosphorylase 2. In addition, uracil can be converted into dihydrouracil through the action of the enzyme dihydropyrimidine dehydrogenase [NADP(+)]. Uracil is rarely found in DNA, and this may have been an evolutionary change to increase genetic stability. This is because cytosine can deaminate spontaneously to produce uracil through hydrolytic deamination. Therefore, if there were an organism that used uracil in its DNA, the deamination of cytosine (which undergoes base pairing with guanine) would lead to formation of uracil (which would base pair with adenine) during DNA synthesis. Uracil can be used for drug delivery and as a pharmaceutical. When elemental fluorine reacts with uracil, it produces 5-fluorouracil. 5-Fluorouracil is an anticancer drug (antimetabolite) that mimics uracil during the nucleic acid (i.e. RNA) synthesis and transcription process. Because 5-fluorouracil is similar in shape to, but does not undergo the same chemistry as, uracil, the drug inhibits RNA replication enzymes, thereby blocking RNA synthesis and stopping the growth of cancerous cells. Uracil is a common and naturally occurring pyrimidine derivative. Originally discovered in 1900, it was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. It is a planar, unsaturated compound that has the ability to absorb light. Uracil. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=66-22-8 (retrieved 2024-07-01) (CAS RN: 66-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
2-Furoic acid
Furoic acid is a metabolite that appears in the urine of workers occupationally exposed to furfural and is a marker of exposure to this compound. Furfural is a heterocyclic aldehyde that is commonly used as a solvent in industry. It is readily absorbed into the body via the lungs and has significant skin absorption. Furfural is an irritant of the eyes, mucous membranes, and skin and is a central nervous system depressant. Furfural as a confirmed animal carcinogen with unknown relevance to humans (It has been suggested that is a substance that produces hepatic cirrhosis). Once in the body, furfural is metabolized rapidly via oxidation to the metabolite furoic acid, which is then conjugated with glycine and excreted in the urine in both free and conjugated forms. (PMID: 3751566, 4630229, 12587683). 2-Furoic acid is a biomarker for the consumption of beer. 2-Furancarboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=88-14-2 (retrieved 2024-07-10) (CAS RN: 88-14-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
1,2-Cyclohexanedione
1,2-Cyclohexanedione is a flavour material for foo 1,2-Cyclohexanedione is an endogenous metabolite.
trans-1,2-Dihydrobenzene-1,2-diol
Trans-1,2-Dihydrobenzene-1,2-diol is an intermediate in the metabolism of Prostaglandin and leukotriene. It is a substrate for Aldo-keto reductase family 1 member C3, Aldo-keto reductase family 1 member C4, Aldo-keto reductase family 1 member C2 and Aldo-keto reductase family 1 member C1. [HMDB] Trans-1,2-Dihydrobenzene-1,2-diol is an intermediate in the metabolism of Prostaglandin and leukotriene. It is a substrate for Aldo-keto reductase family 1 member C3, Aldo-keto reductase family 1 member C4, Aldo-keto reductase family 1 member C2 and Aldo-keto reductase family 1 member C1.
(2E,4E)-2,4-Hexadienoic acid
Sorbic acid appears as white powder or crystals. Melting point 134.5 °C. Slightly acidic and astringent taste with a faint odor. Sorbic acid is a hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. It is a hexadienoic acid, a polyunsaturated fatty acid, a medium-chain fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of a sorbate. Sorbic acid is a natural product found in Prunus domestica and Schisandra chinensis with data available. (2E,4E)-2,4-Hexadienoic acid is a preservative for many foodstuffs. Generally used as K salt or (less frequently) as Ca salt. (2E,4E)-2,4-Hexadienoic acid is an antimicrobial agent against a wide variety of microorganisms, especially yeasts and moulds. (2E,4E)-2,4-Hexadienoic acid is a preservative action more efficient in acidic foods. Typical usage levels 500-2000 ppm(2E,4E)-2,4-Hexadienoic acid belongs to the family of Unsaturated Fatty Acids. These are fatty acids whose chain contains at least one CC double bond. Sorbic acid is a metabolite found in or produced by Saccharomyces cerevisiae. Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses. (2E,4E)-2,4-Hexadienoic acid is a preservative for many foodstuffs. Generally used as K salt or (less frequently) as Ca salt. (2E,4E)-2,4-Hexadienoic acid is an antimicrobial agent against a wide variety of microorganisms, especially yeasts and moulds. (2E,4E)-2,4-Hexadienoic acid is a preservative action more efficient in acidic foods. Typical usage levels 500-2000 pp Preservative for many foodstuffs. Generally used as K salt or (less frequently) as Ca salt. Antimicrobial agent against a wide variety of microorganisms, especies yeasts and moulds. Preservative action more efficient in acidic foods. Typical usage levels 500-2000 ppm. A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1]. Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1].
3-Furoic acid
3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315) [HMDB] 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315). 3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
(2E)-2-Heptenal
(2E)-2-Heptenal, also known as 3-butylacrolein or 2-trans-heptenal, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. (2E)-2-Heptenal is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (2E)-2-heptenal is considered to be a fatty aldehyde lipid molecule. Uremic toxins such as 2-Heptenal are actively transported into the kidneys via organic ion transporters (especially OAT3). (2E)-2-Heptenal is an almond, and fatty tasting compound. (2E)-2-Heptenal is found, on average, in the highest concentration within safflowers. (2E)-2-Heptenal has also been detected, but not quantified, in several different foods, such as roselles, common grapes, cucumbers, garden tomato, and evergreen blackberries. (2E)-2-Heptenal is a potentially toxic compound. Uremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. As a uremic toxin, this compound can cause uremic syndrome. Chronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. (2e)-2-heptenal, also known as 3-butylacrolein or alpha-heptenal, is a member of the class of compounds known as medium-chain aldehydes. Medium-chain aldehydes are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Thus, (2e)-2-heptenal is considered to be a fatty aldehyde lipid molecule (2e)-2-heptenal is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (2e)-2-heptenal is an almond, fat, and fatty tasting compound and can be found in a number of food items such as watermelon, safflower, oat, and common grape, which makes (2e)-2-heptenal a potential biomarker for the consumption of these food products (2e)-2-heptenal can be found primarily in blood and saliva (2e)-2-heptenal is a non-carcinogenic (not listed by IARC) potentially toxic compound. As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present (T3DB).
5,5-Dimethyl-2(5H)-furanone
Aroma component of hop extract, and of lavender, sagebrush, narcissus and salmon oils. 5,5-Dimethyl-2(5H)-furanone is found in fishes and herbs and spices. 5,5-Dimethyl-2(5H)-furanone is found in fishes. Aroma component of hop extract, and of lavender, sagebrush, narcissus and salmon oils.
(R)-3-Methylcyclohexanone
(R)-3-Methylcyclohexanone is found in fats and oils. (R)-3-Methylcyclohexanone is isolated from oil of Hedeoma pulegioides (American pennyroyal), Mentha species and other oils. Flavouring ingredient for candies etc
(E)-4-Hepten-2-one
(Z)-4-Hepten-2-one is found in fruits. (Z)-4-Hepten-2-one is a constituent of bananas. Constituent of bananas. (Z)-4-Hepten-2-one is found in fruits.
(Z)-4-Heptenal
(Z)-4-Heptenal is found in milk and milk products. (Z)-4-Heptenal is a flavouring agent. (Z)-4-Heptenal is used in cream and butter flavourings. (Z)-4-Heptenal is a component of butter. (Z)-4-Heptenal is widespread trace constituent of food flavour Flavouring agent. It is used in cream and butter flavourings. Component of butter. Widespread trace constituent of food flavours. (Z)-4-Heptenal is found in milk and milk products.
5-Methyl-3-hexen-2-one
(E)-5-Methyl-3-hexen-2-one is a flavouring ingredien It is used as a food additive .
xi-3,5-Dimethyl-2(5H)-furanone
xi-3,5-Dimethyl-2(5H)-furanone is found in animal foods. xi-3,5-Dimethyl-2(5H)-furanone is a flavour component of the edible miller mushroom (Coprinus comatus), cooked bacon and smoke condensates. Flavour component of the edible miller mushroom (Coprinus comatus), cooked bacon and smoke condensates. xi-3,5-Dimethyl-2(5H)-furanone is found in mushrooms and animal foods.
3-Hepten-2-one
3-Hepten-2-one is a flavouring ingredien Flavouring ingredient
4-Methylcyclohexanone
4-Methylcyclohexanone is a flavouring for baked goods and candie Flavouring for baked goods and candies
(E)-4-Oxo-2-hexen-1-al
(E)-4-Oxo-2-hexen-1-al is found in herbs and spices. (E)-4-Oxo-2-hexen-1-al is a constituent of soy sauce
3-Methyl-1,2-cyclopentanedione
3-Methyl-1,2-cyclopentanedione is found in cereals and cereal products. 3-Methyl-1,2-cyclopentanedione is a constituent of coffee aroma, roast barley and many other foods. 3-Methyl-1,2-cyclopentanedione is an important flavouring ingredient Constituent of coffee aroma, roast barley and many other foods. Important flavouring ingredient. 3-Methyl-1,2-cyclopentanedione is found in cereals and cereal products and coffee and coffee products.
2,5-Heptadien-1-ol
2,5-Heptadien-1-ol is found in green vegetables. 2,5-Heptadien-1-ol is a constituent of the flowers of Viola odorata (sweet violet). Constituent of the flowers of Viola odorata (sweet violet). 2,5-Heptadien-1-ol is found in tea and green vegetables.
2,5-Dimethylthiophene
2,5-Dimethylthiophene is found in garden onion. 2,5-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 2,5-Dimethylthiophene is found in garden onion and soft-necked garlic.
2,3-Dihydroxy-2,4-cyclopentadien-1-one
2,3-Dihydroxy-2,4-cyclopentadien-1-one is found in herbs and spices. 2,3-Dihydroxy-2,4-cyclopentadien-1-one is a constituent of the seeds of Trifolium repens (white clover). Constituent of the seeds of Trifolium repens (white clover). 2,3-Dihydroxy-2,4-cyclopentadien-1-one is found in tea, herbs and spices, and pulses.
3-Hydroxy-2H-pyran-2-one
3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages. 3-Hydroxy-2H-pyran-2-one is a component of brandy spirit. Component of brandy spirit. 3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages.
Syoyualdehyde
Syoyualdehyde is found in pulses. Odoriferous constituent of soya. Odoriferous constituent of soya. Syoyualdehyde is found in pulses.
2,4-Dimethylthiophene
2,4-Dimethylthiophene is found in garden onion. 2,4-Dimethylthiophene is a constituent of Allium species. Also found in various cooked foods. 2,4-Dimethylthiophene is an odorant used in food flavouring. Constituent of Allium subspecies. Also found in various cooked foods. Odorant used in food flavouring.
2-Hepten-4-one
2-Hepten-4-one is a flavouring ingredien Flavouring ingredient
2-Methylcyclohexanone
(±)-2-Methylcyclohexanone is a flavouring ingredien It is used as a food additive . 2-Methylcyclohexanone is an endogenous metabolite.
5-Methyl-5-hexen-2-one
5-Methyl-5-hexen-2-one is a flavouring ingredien Flavouring ingredient
2,5-Dimethyl-3(2H)-furanone
2,5-Dimethyl-3(2H)-furanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
trans-2-trans-4-Heptadien-1-ol
trans-2-trans-4-Heptadien-1-ol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2,3-Dimethylthiophene
2,3-Dimethylthiophene is found in garden onion. 2,3-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 2,3-Dimethylthiophene is found in garden onion.
3,4-Dimethylthiophene
3,4-Dimethylthiophene is found in garden onion. 3,4-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 3,4-Dimethylthiophene is found in garden onion.
2-(Methoxymethyl)furan
2-(Methoxymethyl)furan is found in coffee and coffee products. Aroma constituent of roasted coffee and roasted almonds. 2-(Methoxymethyl)furan is a flavouring agent Aroma constituent of roasted coffee and roasted almonds. Flavouring agent. 2-(Methoxymethyl)furan is found in coffee and coffee products and nuts.
xi-3-Methyl-3-cyclohexen-1-ol
xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices. xi-3-Methyl-3-cyclohexen-1-ol is a constituent of oil of Thymus vulgaris (thyme) Constituent of oil of Thymus vulgaris (thyme). xi-3-Methyl-3-cyclohexen-1-ol is found in herbs and spices.
2-Ethylthiophene
2-Ethylthiophene is found in animal foods. 2-Ethylthiophene is a maillard product; present in roast meat arom Maillard product; present in roast meat aroma. 2-Ethylthiophene is found in animal foods and guava.
3-Ethylthiophene
3-Ethylthiophene is found in animal foods. 3-Ethylthiophene is a maillard product; present in roast meat arom Maillard product; present in roast meat aroma. 3-Ethylthiophene is found in animal foods.
4-Carboxypyrazole
4-Carboxypyrazole is a metabolite of fomepizole. Fomepizole or 4-methylpyrazole is indicated for use as an antidote in confirmed or suspected methanol or ethylene glycol poisoning. It may be used alone or in combination with hemodialysis. Apart from medical uses, the role of 4-methylpyrazole in coordination chemistry has been studied. (Wikipedia) 4-Carboxypyrazole is an endogenous metabolite.
Parasorbic acid
Parasorbic acid, also known as parasorbate, is a member of the class of compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Parasorbic acid is soluble (in water) and an extremely weak acidic compound (based on its pKa). Parasorbic acid can be found in american cranberry and rowanberry, which makes parasorbic acid a potential biomarker for the consumption of these food products. Parasorbic acid is the cyclic lactone of sorbic acid. Thermal treatment or hydrolysis converts the lactone to sorbic acid .
3-Methyl-2-cyclopentene-1-thione
3-methyl-2-cyclopentene-1-thione is a member of the class of compounds known as thioketones. Thioketones are compounds in which the oxygen of a ketone has been replaced by divalent sulfur R2C=S ( R not H ). Thioketones that have an alpha-hydrogen interconvert with Thioenols. Moreover, they interconvert with thioaldehydes. 3-methyl-2-cyclopentene-1-thione is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methyl-2-cyclopentene-1-thione can be found in soft-necked garlic, which makes 3-methyl-2-cyclopentene-1-thione a potential biomarker for the consumption of this food product.
2-Hexen-4-olide
2-Hexen-4-olide is a member of the class of compounds known as butenolides. Butenolides are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-hexen-4-olide is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hexen-4-olide is a spice tasting compound found in red raspberry, which makes 2-hexen-4-olide a potential biomarker for the consumption of this food product.
Methylfurfuryl alcohol
Methylfurfuryl alcohol, also known as 1-(2-furyl)ethanol, is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Methylfurfuryl alcohol is soluble (in water) and a very weakly acidic compound (based on its pKa). Methylfurfuryl alcohol can be found in cloves, which makes methylfurfuryl alcohol a potential biomarker for the consumption of this food product.
2-Hydroxy-3-methyl-2-cyclopenten-1-one
2-hydroxy-3-methyl-2-cyclopenten-1-one, also known as cyclotene, is a member of the class of compounds known as cyclic ketones. Cyclic ketones are organic compounds containing a ketone that is conjugated to a cyclic moiety. 2-hydroxy-3-methyl-2-cyclopenten-1-one is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-hydroxy-3-methyl-2-cyclopenten-1-one is a caramel, maple, and maple syrup tasting compound and can be found in a number of food items such as pepper (c. annuum), green bell pepper, red bell pepper, and yellow bell pepper, which makes 2-hydroxy-3-methyl-2-cyclopenten-1-one a potential biomarker for the consumption of these food products.
Sodium lactate
Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses. Sodium lactate is the sodium salt of lactic acid produced by fermentation of a sugar source, such as corn or beets. As a food additive, sodium lactate has the E number E325 and naturally is a Liquid product, but also is available in powder form. Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses
5,5-Dimethyl-2(5H)-furanone|Lactone-(E)-4-Hydroxy-4-methyl-2-pentenoic acid
acetylene dicarboxamide|acetylene dicarboxylic acid diamide|acetylene dicarboxylic diamide|acetylene-dicarboxamide|Acetylenedicarbonitrile|acetylenedicarboxamide|acetylenedicarboxylic acid diamide
8J0G2X46R7
3-Hydroxy-4H-pyran-4-one is a natural product found in Parthenium integrifolium, Erigeron breviscapus, and Erigeron annuus with data available. Pyromeconic acid is an antifungal substance[1]. Pyromeconic acid is an antifungal substance[1].
ghl.PD_Mitscher_leg0.841
2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1]. 2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1].
5-Methylfurfuryl alcohol
5-Methylfurfuryl alcohol is a natural product found in Nicotiana tabacum with data available. 5-Methyl-2-furanmethanol is a natural product that can be isolated from the essential oil of D. rupicola Biv.. 5-Methyl-2-furanmethanol also acts as a oxidative product of 2,5 dimethylfuran (DMF) by cytochrome P450 (CYP)[1][2]. 5-Methyl-2-furanmethanol is a natural product that can be isolated from the essential oil of D. rupicola Biv.. 5-Methyl-2-furanmethanol also acts as a oxidative product of 2,5 dimethylfuran (DMF) by cytochrome P450 (CYP)[1][2].
Uracil
A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ISAKRJDGNUQOIC_STSL_0177_Uracil_8000fmol_180430_S2_LC02_MS02_198; 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. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
3-FUROIC ACID
A furoic acid carrying the carboxy group at position 3. 3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
2-FUROIC ACID
A furoic acid having the carboxylic acid group located at position 2. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
Sorbic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1]. Sorbic acid is a highly efficient, and nonpoisonous?food preservative.?Sorbic acid generally is an effective inhibitor of most molds and yeasts and some bacteria[1].
1,2,4-Triazole-3-carboxamide
A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin.
3-Furoate
3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
2-heptenal
Isolated from soya bean oil (Glycine max). Flavouring constituent of many foods. 2-Heptenal is found in pulses.
3,4-Dimethylthiophene
A thiophene that is substituted by methyl groups at positions 3 and 4.
1-hepten-3-one
An enone that is hept-1-ene substituted by an oxo group at position 3.
1-AZABICYCLO[2.2.2]OCTAN-3-AMINE,N-[(1S)-1-PHENYLETHYL]-
Sodium lactate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
1,3,4-Oxadiazole-2-carboxaldehyde, 5-methyl- (9CI)
Sodium D-lactate
D-(-)-Lactic acid ((R)-2-Hydroxypropionic acid ) sodium is an endogenous metabolite.
Cellocidin
A dicarboxylic acid diamide resulting from the formal condensation of both of the carboxy groups of butynedioic acid with ammonia. An antibacterial agent produced by Streptomyces chibaensis.
O-(2-aminoethyl)hydroxylamine,hydrochloride
C2H9ClN2O (112.04033740000001)
(2Z,4E)-hexa-2,4-dienoic acid
One of four possible geometric isomers of sorbic acid, having cis- and trans-double bonds at positions 2 and 4 respectively.
(2E,4Z)-hexa-2,4-dienoic acid
One of four possible geometric isomers of sorbic acid, having trans- and cis-double bonds at positions 2 and 4 respectively.
Sodium methoxyacetate
An organic sodium salt comprising equal numbers of sodium and methoxyacetate ions.
Pirod
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
furoic acid
2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
765-69-5
2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1]. 2-Methylcyclopentane-1,3-dione is a key intermediate for the total synthesis of steroids[1].
Histaminium
An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Pyrroline-2-carboxylate
The anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid.
3,4-Dihydro-2H-Pyrrole-2-carboxylate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(R)-1-pyrroline-5-carboxylate
A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (R)-1-pyrroline-5-carboxylic acid.
(E)-2-methylidenepent-3-enoic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives
MALEIC HYDRAZIDE
D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
hex-5-ynoic acid
A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.
2-Methylcyclohexanone
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 2. 2-Methylcyclohexanone is an endogenous metabolite.
4-METHYLCYCLOHEXANONE
A member of the class of cyclohexanones that is cyclohexanone substituted by a methyl group at position 4.
(2Z,4Z)-hexa-2,4-dienoic acid
One of four possible geometric isomers of sorbic acid, having cis-double bonds at positions 2 and 4.
(4E)-hept-4-en-2-one
A methyl ketone heptan-2-one carrying a double bond at position 4.
(S)-1-Pyrroline-5-carboxylate
A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid.
1-Pyrroline-5-carboxylate
A 1-pyrrolinecarboxylate resulting from the removal of the proton from the carboxy group of 1-pyrroline-5-carboxylic acid.
(E)-Hept-2-enal
A monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax.
cyclohexanecarbaldehyde
An aliphatic aldehyde that is cyclohexane substituted by a formyl group at position 1.
(2E,4E)-hexa-2,4-dienoic acid
A sorbic acid having trans-double bonds at positions 2 and 4; a food preservative that can induce cutaneous vasodilation and stinging upon topical application to humans. It is the most thermodynamically stable of the four possible geometric isomers possible, as well as the one with the highest antimicrobial activity.
1-propenyl-1-propynyl sulfide
{"Ingredient_id": "HBIN002999","Ingredient_name": "1-propenyl-1-propynyl sulfide","Alias": "NA","Ingredient_formula": "C6H8S","Ingredient_Smile": "CC=CSC#CC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-4'-imidazlylethanol
{"Ingredient_id": "HBIN004424","Ingredient_name": "2-4'-imidazlylethanol","Alias": "NA","Ingredient_formula": "C5H8N2O","Ingredient_Smile": "C1=C(NC=N1)CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31305","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-butylacrolein
{"Ingredient_id": "HBIN005429","Ingredient_name": "2-butylacrolein","Alias": "NA","Ingredient_formula": "C7H12O","Ingredient_Smile": "CCCCC(=C)C=O","Ingredient_weight": "112.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35220","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "70612","DrugBank_id": "NA"}
(2E)-3-ethylpenta-2,4-dien-1-ol
{"Ingredient_id": "HBIN005548","Ingredient_name": "(2E)-3-ethylpenta-2,4-dien-1-ol","Alias": "2,4-Pentadien-1-ol, 3-ethyl-, (2Z)-","Ingredient_formula": "C7H12O","Ingredient_Smile": "CCC(=CCO)C=C","Ingredient_weight": "112.17 g/mol","OB_score": "27.1293882","CAS_id": "NA","SymMap_id": "SMIT08902","TCMID_id": "NA","TCMSP_id": "MOL007470","TCM_ID_id": "NA","PubChem_id": "5364723","DrugBank_id": "NA"}
beta-heptenal
{"Ingredient_id": "HBIN018141","Ingredient_name": "beta-heptenal","Alias": "NA","Ingredient_formula": "C7H12O","Ingredient_Smile": "CCCCC=CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31083","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Bicyclo[3.1.1]heptan-3-ol
{"Ingredient_id": "HBIN018437","Ingredient_name": "Bicyclo[3.1.1]heptan-3-ol","Alias": "NA","Ingredient_formula": "C7H12O","Ingredient_Smile": "C1C2CC1CC(C2)O","Ingredient_weight": "112.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36567","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91419167","DrugBank_id": "NA"}