Exact Mass: 126.0718986
Exact Mass Matches: 126.0718986
Found 500 metabolites which its exact mass value is equals to given mass value 126.0718986,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Melamine
Melamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66\\\% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is combined with formaldehyde to produce melamine resin, a very durable thermosetting plastic used in Formica, and melamine foam, a polymeric cleaning product. The end products include countertops, dry erase boards, fabrics, glues, housewares, dinnerware, cooking spoons, guitar saddles, guitar nuts, acoustic foam paneling, and flame retardants. Melamine is one of the major components in Pigment Yellow 150, a colorant in inks and plastics. Melamine is sometimes illegally added to food products in order to increase the apparent protein content. Standard tests, such as the Kjeldahl and Dumas tests, estimate protein levels by measuring the nitrogen content, so they can be misled by adding nitrogen-rich compounds such as melamine.There is an instrument (SPRINT) developed by the company CEM Corp that allows the determination of protein content directly in some applications; this cannot be fooled by adding melamine in the sample. Ultrasound-assisted extractive electrospray ionization mass spectrometry (EESI-MS) has been developed at ETH Zurich (Switzerland) by Zhu et al., (2008) for a rapid detection of melamine in untreated food samples. Ultrasounds are used to nebulize the melamine-containing liquids into a fine spray. The spray is then ionised by extractive electrospray ionisation (EESI) and analysed using tandem mass spectrometry (MS/MS). An analysis requires 30 seconds per sample. The limit of detection of melamine is a few nanograms of melamine per gram of milk. Crystallization and washing of melamine generates a considerable amount of waste water, which is a pollutant if discharged directly into the environment. The waste water may be concentrated into a solid (1.5-5\\\% of the weight) for easier disposal. The solid may contain approximately 70\\\% melamine, 23\\\% oxytriazines (ammeline, ammelide, and cyanuric acid), 0.7\\\% polycondensates (melem, melam, and melon). In the Eurotecnica process, however, there is no solid waste and the contaminants are decomposed to ammonia and carbon dioxide and sent as off gas to the upstream urea plant; accordingly, the waste water can be recycled to the melamine plant itself or used as clean cooling water make-up. Melamine also enters the fabrication of melamine poly-sulfonate used as superplasticizer for making high-resistance concrete. Sulfonated melamine formaldehyde (SMF) is a polymer used as cement admixture to reduce the water content in concrete while increasing the fluidity and the workability of the mix during its handling and pouring. It results in concrete with a lower porosity and a higher mechanical strength, exhibiting an improved resistance to aggressive environments and a longer life-time. Melamine appears as colorless to white monoclinic crystals or prisms or white powder. Sublimes when gently heated. (NTP, 1992) Melamine is a trimer of cyanamide, with a 1,3,5-triazine skeleton. It has a role as a xenobiotic metabolite. It is functionally related to a cyanamide. It is a conjugate base of a melamine(1+). Melamine is a natural product found in Euglena gracilis, Aeromonas veronii, and Apis cerana with data available. Melamine is an organic base and a trimer of cyanamide, with a 1,3,5-triazine skeleton. Like cyanamide, it contains 66\\\% nitrogen by mass and, if mixed with resins, has fire retardant properties due to its release of nitrogen gas when burned or charred, and has several other industrial uses. Melamine is also a metabolite of cyromazine, a pesticide. It is formed in the body of mammals who have ingested cyromazine. It has been reported that cyromazine can also be converted to melamine in plants. Melamine is described as Harmful if swallowed, inhaled or absorbed through the skin. Chronic exposure may cause cancer or reproductive damage. Eye, skin and respiratory irritant. However, the short-term lethal dose is on a par with common table salt with an LD50 of more than 3 grams per kilogram of bodyweight.[15] U.S. Food and Drug Administration (FDA) scientists explained that when melamine and cyanuric acid are absorbed into the bloodstream, they concentrate and interact in the urine-filled renal tubules, then crystallize and form large numbers of round, yellow crystals, which in turn block and damage the renal cells that line the tubes, causing the kidneys to malfunction. A trimer of cyanamide, with a 1,3,5-triazine skeleton. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3151 CONFIDENCE standard compound; INTERNAL_ID 8699 CONFIDENCE standard compound; INTERNAL_ID 3870 Melamine is a metabolite?of?cyromazine. Melamine is a intermediate for the synthesis of melamine resin and plastic materials[1].
5-Aminoimidazole-4-carboxamide
5-Aminoimidazole-4-carboxamide is an imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. -- Pubchem. An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. -- Pubchem [HMDB] KEIO_ID A136 5-Amino-3H-imidazole-4-Carboxamide (AICA) is an important precursor for the synthesis of purines in general and of the nucleobases adenine and guanine in particular.
4-imidazoleacetate
Imidazol-4-ylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. It has a role as a mouse metabolite. It is a monocarboxylic acid and a member of imidazoles. It derives from an acetic acid. It is a conjugate acid of an imidazol-4-ylacetate. It is a tautomer of an imidazol-5-ylacetic acid and a 2H-imidazol-4-ylacetic acid. Imidazoleacetic acid, also known as 4(5)-imidazoleacetate or IAA, belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazoleacetic acid exists in all living organisms, ranging from bacteria to humans. imidazoleacetic acid can be biosynthesized from imidazole-4-acetaldehyde through its interaction with the enzyme aldehyde dehydrogenase, mitochondrial. In humans, imidazoleacetic acid is involved in histidine metabolism. Outside of the human body, Imidazoleacetic acid has been detected, but not quantified in several different foods, such as chinese cinnamons, jostaberries, vanilla, butternut squash, and red rices. Imidazoleacetic acid is a potentially toxic compound. Imidazoleacetic acid is a metabolite product of Histamine metabolism. Imidazoleacetic acid, also known as 4(5)-imidazoleacetate or imac, belongs to imidazolyl carboxylic acids and derivatives class of compounds. Those are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. Imidazoleacetic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Imidazoleacetic acid can be found in a number of food items such as grapefruit, garden onion (variety), black crowberry, and yellow zucchini, which makes imidazoleacetic acid a potential biomarker for the consumption of these food products. Imidazoleacetic acid can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine. In humans, imidazoleacetic acid is involved in the histidine metabolism. Imidazoleacetic acid is also involved in histidinemia, which is a metabolic disorder. 1H-Imidazole-5-acetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=645-65-8 (retrieved 2024-07-16) (CAS RN: 645-65-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Thymine
Thymine, also known as 5-methyluracil, belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Thymine was first isolated in 1893 by Albrecht Kossel and Albert Neumann from calves thymus glands, hence its name. Thymine is one of the 4 nuelcoebases found in DNA and is essential to all life. Thymine exists in all living species, ranging from bacteria to plants to humans. Thymine combined with deoxyribose creates the nucleoside deoxythymidine (also called thymidine) which when phosphorylated to dTDP can be incorporated into DNA via DNA polymerases. Thymidine can be phosphorylated with up to three phosphoric acid groups, producing dTMP (deoxythymidine monophosphate) dTDP and/or dTTP. In RNA thymine is replaced with uracil in most cases. In DNA, thymine binds to adenine via two hydrogen bonds to assist in stabilizing the nucleic acid structures. Within humans, thymine participates in a number of enzymatic reactions. In particular, thymine and deoxyribose 1-phosphate can be biosynthesized from thymidine through its interaction with the enzyme thymidine phosphorylase. In addition, thymine can be converted into dihydrothymine; which is mediated by the enzyme dihydropyrimidine dehydrogenase [NADP(+)]. One of the pyrimidine bases of living matter. Derivation: Hydrolysis of deoxyribonucleic acid, from methylcyanoacetylurea by catalytic reduction. Use: Biochemical research. (Hawleys Condensed Chemical Dictionary) Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from COVID-19 Disease Map Corona-virus KEIO_ID T015 Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.
Sulcatone
Sulcatone, also known as methylheptenone or fema 2707, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Sulcatone is a very hydrophobic methylketone, practically insoluble in water, and relatively neutral. It exists as a clear, colorless liquid. Sulcatone can be found in all eukaryotes, ranging from yeast to plants to humans. Sulcatone has a musty, apple green-bean, and pear-like taste. and a citrus-like lemongrass odor. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. Sulcatone is naturally found in bay leaf, blackberry fruit, sour cherries, cloves, ginger and lavender. In insects and animals, it has a role as an alarm or attractant pheromone. In fact, sulcatone is one of a number of mosquito attractants, especially for those species such as Aedes aegypti with the odor receptor gene Or4 (PMID:25391959 ). Sulcatone is secreted by humans in their sweat and is a compound frequently found in human body odors (but in few other mammals). Sulcoatone is used as a pheromone by ferrets, european badgers, red foxes, treefrogs, bedbugs, wasps and butterflies. Sulcatone is one of several ketones found in Cannabis sativa (PMID:6991645 ). Sulcatone, also known as 6-methylhept-5-en-2-one, is a member of the class of compounds known as ketones. Ketones are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, sulcatone is considered to be an oxygenated hydrocarbon lipid molecule. Sulcatone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Sulcatone is an apple, bitter, and citrus tasting compound and can be found in a number of food items such as oil palm, winter savory, european plum, and swamp cabbage, which makes sulcatone a potential biomarker for the consumption of these food products. Sulcatone can be found primarily in feces and saliva. Sulcatone exists in all eukaryotes, ranging from yeast to humans. Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.
(E)-2-octenal
Oct-2-en-1-al, also known as 2-octenal or oct-(E)-2-enal, 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. Oct-2-en-1-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Oct-2-en-1-al can be found in black walnut and burdock, which makes oct-2-en-1-al a potential biomarker for the consumption of these food products. Oct-2-en-1-al can be found primarily in feces and urine. (E)-2-octenal is a flavoring ingredient for improving the aroma and flavor of cherries, dairy products, nuts, and meat. It is a colorless to slightly yellow liquid with fresh cucumber, fragrant herbs, banana leaf-like flavor. The boiling point of (E)-2-octenal (CAS 2548-87-0) is 84-86 degree Celcius, and when heated to decomposition it emits acrid smoke and irritating vapours.
2,4-Diamino-6-hydroxypyrimidine
2,4-Diamino-6-hydroxypyrimidine (DAHP) is a selective inhibitor of GTP cyclohydrolase I (GTPCH) that restricts the de novo synthesis of tetrahydrobiopterin (BH4) or the BH4 precursor in vascular smooth muscle cells (VSMC). (PMID 12883322). 2,4-Diamino-6-hydroxypyrimidine also inhibits nitric oxide (NO) in both Interferon-gamma (IFN-gamma) and antigen (Ag)/IgE (Ag/IgE) systems, increasing Mast cells (MC) degranulation. (PMID 14514683). Sepiapterin, a precursor to tetrahydrobiopterin in the salvage pathway, completely reverses the effect of 2,4-diamino-6-hydroxypyrimidine on neuronal NO-synthase (nNOS) ubiquitylation. (PMID 16216381). 2,4-Diamino-6-hydroxypyrimidine (DAHP) is a selective inhibitor of GTP cyclohydrolase I (GTPCH) that restricts the de novo synthesis of tetrahydrobiopterin (BH4) or the BH4 precursor in vascular smooth muscle cells (VSMC). (PMID 12883322) D004791 - Enzyme Inhibitors
1H-Imidazole-1-acetic acid
1H-Imidazole-1-acetic acid is found in mushrooms. 1H-Imidazole-1-acetic acid is isolated from Coprinus atramentarius (common ink cap Imidazol-1-yl-acetic acid is an endogenous metabolite.
3-Octen-2-one
3-Octen-2-one, also known as fema 3416, belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. 3-Octen-2-one is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 3-octen-2-one is considered to be an oxygenated hydrocarbon lipid molecule. 3-Octen-2-one is a sweet, blueberry, and crushed bug tasting compound. 3-octen-2-one has been detected, but not quantified, in several different foods, such as potato, green vegetables, cereals and cereal products, fishes, and nuts. This could make 3-octen-2-one a potential biomarker for the consumption of these foods. 3-Octen-2-one has been found to be associated with the diseases such as ulcerative colitis; also 3-octen-2-one has been linked to the inborn metabolic disorders including celiac disease. Vanilla volatile, mushroom flavour component of Boletus edulis (porcini)and is also present in asparagus, baked or French fried potato, raw lean fish, chicken fat, white wine, roasted filbert, coriander seed and rice. Flavouring ingredient. 3-Octen-2-one is found in many foods, some of which are nuts, potato, cereals and cereal products, and animal foods.
(3xi,5Z)-1,5-Octadien-3-ol
Off-flavour component of cooked prawns and sand-lobsters. (3xi,5Z)-1,5-Octadien-3-ol is found in crustaceans. (3xi,5Z)-1,5-Octadien-3-ol is found in crustaceans. Off-flavour component of cooked prawns and sand-lobster
(3E,5Z)-3,5-Octadien-1-ol
(3Z,5Z)-3,5-Octadien-1-ol is found in pomes. (3Z,5Z)-3,5-Octadien-1-ol is a flavour component of kogyoku apple oil. Flavour component of kogyoku apple oil. (3E,5Z)-3,5-Octadien-1-ol is found in pomes.
5-Octen-2-one
5-Octen-2-one is found in citrus. 5-Octen-2-one is isolated from bergamot orange (Citrus bergamia) and black te Isolated from bergamot orange (Citrus bergamia) and black tea. 5-Octen-2-one is found in tea and citrus.
3,4-Dimethyl-1,2-cyclopentanedione
3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3,4-Dimethyl-1,2-cyclopentanedione is a constituent of coffee. 3,4-Dimethyl-1,2-cyclopentanedione is a flavouring additive with sugary/maple/caramel taste. Constituent of coffee. Flavouring additive with sugary/maple/caramel taste. 3,4-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products.
Enol-3-Ethyl-1,2-cyclopentanedione
Enol-3-Ethyl-1,2-cyclopentanedione is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
xi-5-Isopropyl-2(5H)-furanone
xi-5-Isopropyl-2(5H)-furanone is found in fats and oils. xi-5-Isopropyl-2(5H)-furanone is a component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. Component of `hydrogenation flavour formed on storage of deodorised hydrogenated soybean oil. xi-5-Isopropyl-2(5H)-furanone is found in fats and oils.
(2E,4E)-2,4-Octadien-1-ol
(2E,4E)-2,4-Octadien-1-ol is a flavouring ingredient. Flavouring ingredient
(S,E)-Filbertone
(S,E)-Filbertone is found in nuts. Principal flavour constituent of hazelnuts. (S,E)-Filbertone is a flavouring ingredient. Principal flavour constituent of hazelnuts. Flavouring ingredient. (S,E)-Filbertone is found in nuts.
6-Methyl-3-hepten-2-one, trans-
6-Methyl-3-hepten-2-one, trans- is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-Methyl-1,2-cyclohexanedione
3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products. 3-Methyl-1,2-cyclohexanedione is a constituent of coffee. 3-Methyl-1,2-cyclohexanedione is a flavouring ingredient. Constituent of coffee. Flavouring ingredient. 3-Methyl-1,2-cyclohexanedione is found in coffee and coffee products.
xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one
Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is a member of the class of compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one is soluble (in water) and a very weakly acidic compound (based on its pKa). Xi-4-hydroxy-4-methyl-2-cyclohexen-1-one can be found in herbs and spices, which makes xi-4-hydroxy-4-methyl-2-cyclohexen-1-one a potential biomarker for the consumption of this food product. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is found in herbs and spices. xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one is a constituent of Nigella sativa (black cumin) and peppermint oil (Mentha piperita).
3-Ethyl-1,2-cyclopentanedione
3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products. 3-Ethyl-1,2-cyclopentanedione is isolated from coffee and tobacco. 3-Ethyl-1,2-cyclopentanedione is a flavouring material, with caramel flavour and flavour enhancing properties Isolated from coffee and tobacco. Flavouring material, with caramel flavour and flavour enhancing props. 3-Ethyl-1,2-cyclopentanedione is found in coffee and coffee products.
1-Octen-3-one
1-Octen-3-one is found in fruits. Mushroom flavour component (shiitake, matsutake). Also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods Oct-1-en-3-one (CH2=CHC(=O)(CH2)4CH3), also known as 1-octen-3-one, is the odorant that is responsible for the typical metallic smell of metals and blood coming into contact with skin. Oct-1-en-3-one has a strong metallic mushroom-like odor with an odor detection threshold of 0.03 - 1.12 µg/m and it is the main compound responsible for the "smell of metal", followed by decanal (smell: orange skin, flowery) and nonanal (smell: tallowy, fruity). Oct-1-en-3-one is the degradative reduction product of the chemical reaction of skin lipid peroxides and Fe2+. Skin lipid peroxides are formed from skin lipid by oxidation, either enzymatically by lipoxygenases or by air oxygen. Oct-1-en-3-one is a ketone analog of the alkene 1-octene Mushroom flavour component (shiitake, matsutake)and is also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods
2,5-Octadien-1-ol
2,5-Octadien-1-ol is found in fishes. 2,5-Octadien-1-ol is a constituent of various fish and other marine animals. Constituent of various fish and other marine animals. 2,5-Octadien-1-ol is found in fishes.
2,4,4-Trimethylcyclopentanone
2,4,4-Trimethylcyclopentanone is found in fats and oils. 2,4,4-Trimethylcyclopentanone is isolated from oil of Mentha pulegium (European pennyroyal
3,5-Dimethyl-1,2-cyclopentanedione
3,5-Dimethyl-1,2-cyclopentanedione is found in animal foods. 3,5-Dimethyl-1,2-cyclopentanedione is a constituent of coffee and cooked cured pork. 3,5-Dimethyl-1,2-cyclopentanedione is a flavouring agent. Constituent of coffee and cooked cured pork. Flavouring agent. 3,5-Dimethyl-1,2-cyclopentanedione is found in coffee and coffee products and animal foods.
Methyl sorbate
Methyl sorbate is a flavouring ingredien Flavouring ingredient
4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone
4-methyl-4-vinyl-gamma-butyrolactone is a member of the class of compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. 4-methyl-4-vinyl-gamma-butyrolactone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-methyl-4-vinyl-gamma-butyrolactone has a fruity and minty taste. 4-methyl-4-vinyl-gamma-butyrolactone exists in all eukaryotes, ranging from yeast to humans. 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Ethyl-5-methylthiophene
2-Ethyl-5-methylthiophene is found in animal foods. 2-Ethyl-5-methylthiophene is a maillard product. Organolepticpresent in cooked meat arom Maillard product. Organolepticpresent in cooked meat aroma. 2-Ethyl-5-methylthiophene is found in animal foods.
2-Octen-4-one
2-Octen-4-one is found in cereals and cereal products. 2-Octen-4-one is a flavouring ingredient. 2-Octen-4-one is present in roasted hazelnut and white brea 2-Octen-4-one is a flavouring ingredient. It is found in roasted hazelnut, white bread, and cereal products.
3-Methyl-3-hepten-2-one
3-Methyl-3-hepten-2-one is found in herbs and spices. 3-Methyl-3-hepten-2-one is a constituent of the oil of Glycyrrhiza glabra (licorice)
5-Methyl-5-hepten-2-one
5-Methyl-5-hepten-2-one is found in root vegetables. 5-Methyl-5-hepten-2-one is a constituent of Daucus carota (carrot) Constituent of Daucus carota (carrot). 5-Methyl-5-hepten-2-one is found in root vegetables.
Allyl crotonate
Allyl crotonate is found in nuts. Allyl crotonate is found in roasted filberts (Corylus avellana Found in roasted filberts (Corylus avellana)
4-Octen-3-one
4-Octen-3-one is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Propylthiophene
2-Propylthiophene is found in animal foods. 2-Propylthiophene is present in roast beef aroma. Present in roast beef aroma. 2-Propylthiophene is found in animal foods.
3-(3-Ethyloxiranyl)-2-propenal
Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adducts Lipid peroxidation product implicated in nonenzymic browning reactions of aminoacids and proteins. Reacts with lysine and lysine groups to form pyrrole adduct
2-Ethylidenehexanal
2-Ethylidenehexanal is a flavouring ingredient, imparting sweet nutty flavour. Flavouring ingredient, imparting sweet nutty flavour
2-(Ethoxymethyl)furan
2-(Ethoxymethyl)furan 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-Ethyl-2-hexenal
2-Ethyl-2-hexenal 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.
N(tele)-methylhistaminium
N(tele)-methylhistaminium is considered to be slightly soluble (in water) and basic COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Isopropylcyclopentanone
2-isopropylcyclopentanone 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-isopropylcyclopentanone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-isopropylcyclopentanone can be found in cornmint, which makes 2-isopropylcyclopentanone a potential biomarker for the consumption of this food product.
3-Octenal
3-octenal 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, 3-octenal is considered to be a fatty aldehyde lipid molecule. 3-octenal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3-octenal can be found in coriander, which makes 3-octenal a potential biomarker for the consumption of this food product.
trans-Octen-2-al
Trans-octen-2-al, also known as (E)-2-octenal or 2-octenal, (E)-isomer, 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, trans-octen-2-al is considered to be a fatty aldehyde lipid molecule. Trans-octen-2-al is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Trans-octen-2-al can be found in ginger and potato, which makes trans-octen-2-al a potential biomarker for the consumption of these food products.
Filbertone
Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods . Flavouring compound [Flavornet]
6-METHYL-5-HEPTEN-2-ONE
Sulcatone is an endogenous metabolite. Sulcatone is an endogenous metabolite.
2-Ethyl-2-hexenal
A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.
methyluracil
A pyrimidone that is uracil with a methyl group substituent at position 1.
7-OCTEN-2-ONE
An methyl ketone that is octan-2-one carrying a double bond at position 7.
(2E,4E)-6-hydroxy-5-methyl-2,4-hexadienal|(2E,4E)-6-hydroxy-5-methylhexa-2,4-dienal
3-maleimide-5-oxime|3-Methyl-pyrrol-2,5-dion-5-oxim|3-methyl-pyrrole-2,5-dione-5-oxime
thymine
A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group. 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; RWQNBRDOKXIBIV_STSL_0176_Thymine_2000fmol_180506_S2_LC02_MS02_138; 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. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.
5-Aminoimidazole-4-carboxamide
An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4. 5-Amino-3H-imidazole-4-Carboxamide (AICA) is an important precursor for the synthesis of purines in general and of the nucleobases adenine and guanine in particular.
1-Imidazoleacetic acid
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; QAFBDRSXXHEXGB-UHFFFAOYSA-N_STSL_0193_1-Imidazoleacetic acid_0031fmol_180831_S2_L02M02_52; 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.
(E)-2-octenal
2-octenal, also known as 2-octenal, (Z)-isomer, 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. 2-octenal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-octenal has a fatty and green taste. 2-octenal can be found primarily in blood. 2-octenal 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).
1-(1H-1,2,4-triazol-1-yl)propan-2-amine(SALTDATA: FREE)
6-Methyluracil
D020011 - Protective Agents > D011837 - Radiation-Protective Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents A pyrimidone that is uracil with a methyl group at position 6. D007155 - Immunologic Factors 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2].
Spiro[2,3-diazabicyclo[2.2.1]heptane-7,2-oxirane] (9CI)
3-(1H-1,2,4-TRIAZOL-1-YL)PROPAN-1-AMINE HYDROCHLORIDE
1-Cyclopentene-1-carboxylic acid, 2-methyl- (6CI,9CI)
1-methyl-3-methylidenecyclobutane-1-carboxylic acid
1H-Imidazole-1-carboxylic acid, methyl ester (9CI)
(1S,3S,5S)-2-Azabicyclo[3.1.0]hexane-3-carboxaMide
(1R,3S,5R)-2-Azabicyclo[3.1.0]hexane-3-carboxamide
1-(2-HYDROXY-ETHOXYMETHYL)-2-THIOXO-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE
Thymin
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM. Thymine is one of the four nucleobases in the nucleic acid of DNA and can be a target for actions of 5-fluorouracil (5-FU) in cancer treatment, with a Km of 2.3 μM.
Metacyl
D020011 - Protective Agents > D011837 - Radiation-Protective Agents D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D007155 - Immunologic Factors 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2]. 6-Methyluracil (Pseudothymine), a metabolite of Uracil, can be used as an indicator of acetoacetyl-CoA (AACoA) accumulation. 6-Methyluracil exhibits antiradiation effect in vivo[1][2].
1-Piperideine-2-carboxylate
A piperidinecarboxylate that is the conjugate base of 1-piperideine-2-carboxylic acid.
(S)-1-Piperideine-6-carboxylate
An optically active form of 1-piperideine-6-carboxylate having (S)-configuration. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2h-Imidazol-4-Ylacetic Acid
An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N(tele)-methylhistaminium
Conjugate acid of N(tele)-methylhistamine. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-methyl-pyrazole-3-carboxylic acid
A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively.
imidazol-1-ylacetic acid
An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group.
1-methyl-pyrazole-5-carboxylic acid
A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group substituents at position 5.
4-methyl-pyrazole-3-carboxylic acid
A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 4 and 3 respectively.
1-Piperideine-6-carboxylate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 1-piperideine-6-carboxylic acid.
imidazol-2-ylacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-2-yl group.
5-methyl-imidazole-2-carboxylic acid
An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively.
1-methyl-pyrazole-3-carboxylic acid
A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 3.
1-methyl-pyrazole-4-carboxylic acid
A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 4.
3-methyl-pyrazole-4-carboxylic acid
A member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively.
1-methyl-imidazole-2-carboxylic acid
An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 1 and 2 respectively.
5-methyl-imidazole-4-carboxylic acid
An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively.
imidazol-5-ylacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.
Imidazol-4-ylacetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.
1-iminazolylacetic acid
{"Ingredient_id": "HBIN002667","Ingredient_name": "1-iminazolylacetic acid","Alias": "NA","Ingredient_formula": "C5H6N2O2","Ingredient_Smile": "C1=CN(C=N1)CC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31304","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1- methyl- 1H- pyrimidine- 2、4- dione
{"Ingredient_id": "HBIN002721","Ingredient_name": "1- methyl- 1H- pyrimidine- 2\u30014- dione","Alias": "NA","Ingredient_formula": "C5H6N2O2","Ingredient_Smile": "CN1C=CC(=O)NC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39667","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-methyl-1H-pyrimidine-2、4-dione、NareiPrimin
{"Ingredient_id": "HBIN002722","Ingredient_name": "1-methyl-1H-pyrimidine-2\u30014-dione\u3001NareiPrimin","Alias": "NA","Ingredient_formula": "C5H6N2O2","Ingredient_Smile": "CN1C=CC(=O)NC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39170","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-hexadienoic acid methyl ester
{"Ingredient_id": "HBIN004099","Ingredient_name": "2,3-hexadienoic acid methyl ester","Alias": "NA","Ingredient_formula": "C7H10O2","Ingredient_Smile": "CCC=C=CC(=O)OC","Ingredient_weight": "126.15 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8924","PubChem_id": "44221879","DrugBank_id": "NA"}
BIHEPTADIENECARBOXYLIC ACID
{"Ingredient_id": "HBIN018503","Ingredient_name": "BIHEPTADIENECARBOXYLIC ACID","Alias": "17175-86-9; (2E,4E)-hepta-2,4-dienoic acid","Ingredient_formula": "C7H10O2","Ingredient_Smile": "CCC=CC=CC(=O)O","Ingredient_weight": "126.15","OB_score": "29.38190837","CAS_id": "17175-86-9","SymMap_id": "SMIT13336","TCMID_id": "NA","TCMSP_id": "MOL012592","TCM_ID_id": "NA","PubChem_id": "6433689","DrugBank_id": "NA"}
