Exact Mass: 132.0211
Exact Mass Matches: 132.0211
Found 500 metabolites which its exact mass value is equals to given mass value 132.0211,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinnamaldehyde
(E)-cinnamaldehyde is the E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has a role as a hypoglycemic agent, an EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor, a vasodilator agent, an antifungal agent, a flavouring agent, a plant metabolite and a sensitiser. It is a 3-phenylprop-2-enal and a member of cinnamaldehydes. Cinnamaldehyde is a naturally occurring flavonoid that gives the spice cinnamon its flavour and odour. It occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum such as camphor and cassia. Sensitivity to cinnamaldehyde may be identified with a clinical patch test. Cinnamaldehyde is a Standardized Chemical Allergen. The physiologic effect of cinnamaldehyde is by means of Increased Histamine Release, and Cell-mediated Immunity. Cinnamaldehyde is a natural product found in Chaerophyllum bulbosum, Cinnamomum sieboldii, and other organisms with data available. Cinnamaldehyde is the aldehyde that gives cinnamon its flavor and odor. Cinnamaldehyde occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum like camphor and cassia. These trees are the natural source of cinnamon, and the essential oil of cinnamon bark is about 90\\\\% cinnamaldehyde. Cinnamaldehyde is also used as a fungicide. Proven effective on over 40 different crops, cinnamaldehyde is typically applied to the root systems of plants. Its low toxicity and well-known properties make it ideal for agriculture. To a lesser extent, cinnamaldehyde is an effective insecticide, and its scent is also known to repel animals like cats and dogs. Cinnamaldehyde is also known as a corrosion inhibitor for steel and other ferrous alloys in corrosive fluids. It can be used in combination with additional components such as dispersing agents, solvents and other surfactants. Concentrated cinnamaldehyde is a skin irritant, and the chemical is toxic in large doses, but no agencies suspect the compound is a carcinogen or poses a long-term health hazard. Most cinnamaldehyde is excreted in urine as cinnamic acid, an oxidized form of cinnamaldehyde. Cinnamaldehyde is a metabolite found in or produced by Saccharomyces cerevisiae. Cinnamaldehyde, also known as (E)-3-phenyl-2-propenal or 3-phenylacrylaldehyde, is a member of the class of compounds known as cinnamaldehydes. Cinnamaldehydes are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. Cinnamaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cinnamaldehyde is a sweet, candy, and cinnamon tasting compound and can be found in a number of food items such as sour cherry, rubus (blackberry, raspberry), horseradish, and sea-buckthornberry, which makes cinnamaldehyde a potential biomarker for the consumption of these food products. Cinnamaldehyde can be found primarily in feces, as well as in human neuron and skin tissues. Cinnamaldehyde exists in all eukaryotes, ranging from yeast to humans. Cinnamaldehyde is a non-carcinogenic (not listed by IARC) potentially toxic compound. Cinnamaldehyde is an organic compound with the formula C6H5CH=CHCHO. Occurring naturally as predominantly the trans (E) isomer, it gives cinnamon its flavor and odor. It is a flavonoid that is naturally synthesized by the shikimate pathway. This pale yellow, viscous liquid occurs in the bark of cinnamon trees and other species of the genus Cinnamomum. The essential oil of cinnamon bark is about 50\\\\% cinnamaldehyde . The specific symptoms that can result from cinnamic aldehyde allergy can vary considerably amongst patients from a severe anaphylactic reaction to asthma, abdominal symptoms, eczema or headaches (L2140) (T3DB). Cinnamaldehyde is the aldehyde that gives cinnamon its flavor and odor. Cinnamaldehyde occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum like camphor and cassia. These trees are the natural source of cinnamon, and the essential oil of cinnamon bark is about 90\\\\% cinnamaldehyde. Cinnamaldehyde is also used as a fungicide. Proven effective on over 40 different crops, cinnamaldehyde is typically applied to the root systems of plants. Its low toxicity and well-known properties make it ideal for agriculture. To a lesser extent, cinnamaldehyde is an effective insecticide, and its scent is also known to repel animals like cats and dogs. Cinnamaldehyde is also known as a corrosion inhibitor for steel and other ferrous alloys in corrosive fluids. It can be used in combination with additional components such as dispersing agents, solvents and other surfactants. Concentrated cinnamaldehyde is a skin irritant, and the chemical is toxic in large doses, but no agencies suspect the compound is a carcinogen or poses a long-term health hazard. Most cinnamaldehyde is excreted in urine as cinnamic acid, an oxidized form of cinnamaldehyde. D020011 - Protective Agents > D016587 - Antimutagenic Agents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D000970 - Antineoplastic Agents Acquisition and generation of the data is financially supported in part by CREST/JST. trans-Cinnamaldehyde can be used to prepare highly polyfunctionalized furan ring by reaction of alkyl isocyanides with dialkyl acetylenedicarboxylate[1]. trans-Cinnamaldehyde can be used to synthesize trans-cinnamaldehyde -β-cyclodextrin complex, an antimicrobial edible coating that increases the shelf life of fresh-cut fruits[2]. trans-Cinnamaldehyde can be used to prepare highly polyfunctionalized furan ring by reaction of alkyl isocyanides with dialkyl acetylenedicarboxylate[1]. trans-Cinnamaldehyde can be used to synthesize trans-cinnamaldehyde -β-cyclodextrin complex, an antimicrobial edible coating that increases the shelf life of fresh-cut fruits[2].
3-ureidopropionate
Ureidopropionic acid, also known as 3-ureidopropanoate or N-carbamoyl-beta-alanine, belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Ureidopropionic acid is an intermediate in the metabolism of uracil. More specifically, it is a breakdown product of dihydrouracil and is produced by the enzyme dihydropyrimidase. It is further decomposed into beta-alanine via the enzyme beta-ureidopropionase. Ureidopropionic acid is essentially a urea derivative of beta-alanine. High levels of ureidopropionic acid are found in individuals with beta-ureidopropionase (UP) deficiency (PMID: 11675655). Enzyme deficiencies in pyrimidine metabolism are associated with a risk for severe toxicity against the antineoplastic agent 5-fluorouracil. Ureidopropionic acid has been detected, but not quantified in, several different foods, such as gram beans, broccoli, climbing beans, oriental wheat, and mandarin orange (clementine, tangerine). This could make ureidopropionic acid a potential biomarker for the consumption of these foods. N-Carbamoyl-β-alanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=462-88-4 (retrieved 2024-07-01) (CAS RN: 462-88-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Ureidopropionic acid (3-Ureidopropionic acid) is an intermediate in the metabolism of uracil.
Asparagine
Asparagine (Asn) or L-asparagine is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-asparagine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Asparagine is found in all organisms ranging from bacteria to plants to animals. In humans, asparagine is not an essential amino acid, which means that it can be synthesized from central metabolic pathway intermediates in humans and is not required in the diet. The precursor to asparagine is oxaloacetate. Oxaloacetate is converted to aspartate using a transaminase enzyme. This enzyme transfers the amino group from glutamate to oxaloacetate producing alpha-ketoglutarate and aspartate. The enzyme asparagine synthetase produces asparagine, AMP, glutamate, and pyrophosphate from aspartate, glutamine, and ATP. In the asparagine synthetase reaction, ATP is used to activate aspartate, forming beta-aspartyl-AMP. Glutamine donates an ammonium group which reacts with beta-aspartyl-AMP to form asparagine and free AMP. Since the asparagine side chain can make efficient hydrogen bond interactions with the peptide backbone, asparagines are often found near the beginning and end of alpha-helices, and in turn motifs in beta sheets. Its role can be thought as "capping" the hydrogen bond interactions which would otherwise need to be satisfied by the polypeptide backbone. Asparagine also provides key sites for N-linked glycosylation, a modification of the protein chain that is characterized by the addition of carbohydrate chains. A reaction between asparagine and reducing sugars or reactive carbonyls produces acrylamide (acrylic amide) in food when heated to sufficient temperature (i.e. baking). These occur primarily in baked goods such as French fries, potato chips, and roasted coffee. Asparagine was first isolated in 1806 from asparagus juice --hence its name. Asparagine was the first amino acid to be isolated. The smell observed in the urine of some individuals after the consumption of asparagus is attributed to a byproduct of the metabolic breakdown of asparagine, asparagine-amino-succinic-acid monoamide. However, some scientists disagree and implicate other substances in the smell, especially methanethiol. [Spectral] L-Asparagine (exact mass = 132.05349) and L-Aspartate (exact mass = 133.03751) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. One of the nonessential amino acids. Dietary supplement, nutrient. Widely distributed in the plant kingdom. Isolated from asparagus, beetroot, peas, beans, etc. (-)-Asparagine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=70-47-3 (retrieved 2024-07-15) (CAS RN: 70-47-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Asparagine ((-)-Asparagine) is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. L-Asparagine ((-)-Asparagine) is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue.
Glycylglycine
The simplest peptide, made of two glycine molecules; used in the synthesis of more complicated peptides. Glycine is a simple, nonessential amino acid, although experimental animals show reduced growth on low-glycine diets. The average adult ingests 3 to 5 grams of glycine daily. Glycine is involved in the bodys production of DNA, phospholipids and collagen, and in release of energy. Glycine levels are effectively measured in plasma in both normal patients and those with inborn errors of glycine metabolism. (http://www.dcnutrition.com/AminoAcids/) Nonketotic hyperglycinaemia (OMIM 606899) is an autosomal recessive condition caused by deficient enzyme activity of the glycine cleavage enzyme system (EC 2.1.1.10). The glycine cleavage enzyme system comprises four proteins: P-, T-, H- and L-proteins (EC 1.4.4.2, EC 2.1.2.10 and EC 1.8.1.4 for P-, T- and L-proteins). Mutations have been described in the GLDC (OMIM 238300), AMT (OMIM 238310), and GCSH (OMIM 238330) genes encoding the P-, T-, and H-proteins respectively. The glycine cleavage system catalyses the oxidative conversion of glycine into carbon dioxide and ammonia, with the remaining one-carbon unit transferred to folate as methylenetetrahydrofolate. It is the main catabolic pathway for glycine and it also contributes to one-carbon metabolism. Patients with a deficiency of this enzyme system have increased glycine in plasma, urine and cerebrospinal fluid (CSF) with an increased CSF: plasma glycine ratio. (PMID 16151895) [HMDB] The simplest peptide, made of two glycine molecules; used in the synthesis of more complicated peptides. Glycine is a simple, nonessential amino acid, although experimental animals show reduced growth on low-glycine diets. The average adult ingests 3 to 5 grams of glycine daily. Glycine is involved in the bodys production of DNA, phospholipids and collagen, and in release of energy. Glycine levels are effectively measured in plasma in both normal patients and those with inborn errors of glycine metabolism. (http://www.dcnutrition.com/AminoAcids/) Nonketotic hyperglycinaemia (OMIM 606899) is an autosomal recessive condition caused by deficient enzyme activity of the glycine cleavage enzyme system (EC 2.1.1.10). The glycine cleavage enzyme system comprises four proteins: P-, T-, H- and L-proteins (EC 1.4.4.2, EC 2.1.2.10 and EC 1.8.1.4 for P-, T- and L-proteins). Mutations have been described in the GLDC (OMIM 238300), AMT (OMIM 238310), and GCSH (OMIM 238330) genes encoding the P-, T-, and H-proteins respectively. The glycine cleavage system catalyses the oxidative conversion of glycine into carbon dioxide and ammonia, with the remaining one-carbon unit transferred to folate as methylenetetrahydrofolate. It is the main catabolic pathway for glycine and it also contributes to one-carbon metabolism. Patients with a deficiency of this enzyme system have increased glycine in plasma, urine and cerebrospinal fluid (CSF) with an increased CSF: plasma glycine ratio. (PMID 16151895). Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G037 Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor. Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor.
Glutaric acid
Glutaric acid is a simple five-carbon linear dicarboxylic acid. Glutaric acid is naturally produced in the body during the metabolism of some amino acids, including lysine and tryptophan. Glutaric acid may cause irritation to the skin and eyes. When present in sufficiently high levels, glutaric acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of glutaric acid are associated with at least three inborn errors of metabolism, including glutaric aciduria type I, malonyl-CoA decarboxylase deficiency, and glutaric aciduria type III. Glutaric aciduria type I (glutaric acidemia type I, glutaryl-CoA dehydrogenase deficiency, GA1, or GAT1) is an inherited disorder in which the body is unable to completely break down the amino acids lysine, hydroxylysine, and tryptophan due to a deficiency of mitochondrial glutaryl-CoA dehydrogenase (EC 1.3.99.7, GCDH). Excessive levels of their intermediate breakdown products (e.g. glutaric acid, glutaryl-CoA, 3-hydroxyglutaric acid, glutaconic acid) can accumulate and cause damage to the brain (and also other organs). Babies with glutaric acidemia type I are often born with unusually large heads (macrocephaly). Macrocephaly is amongst the earliest signs of GA1. GA1 also causes secondary carnitine deficiency because glutaric acid, like other organic acids, is detoxified by carnitine. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated glutaric aciduria. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. Treatment of glutaric aciduria is mainly based on the restriction of lysine intake, supplementation of carnitine, and an intensification of therapy during intercurrent illnesses. The major principle of dietary treatment is to reduce the production of glutaric acid and 3-hydroxyglutaric acid by restriction of natural protein, in general, and of lysine, in particular (PMID: 17465389, 15505398). Glutaric acid has also been found in Escherichia (PMID: 30143200). Isolated from basidiomycete fungi and fruits of Prunus cerasus (CCD). Glutaric acid is found in many foods, some of which are red beetroot, common beet, soy bean, and tamarind. Glutaric acid, C5 dicarboxylic acid, is an intermediate during the catabolic pathways of lysine and tryptophan. Glutaric acid affects pericyte contractility and migration. Glutaric acid is an indicator of glutaric aciduria type I[1][2][3]. Glutaric acid, C5 dicarboxylic acid, is an intermediate during the catabolic pathways of lysine and tryptophan. Glutaric acid affects pericyte contractility and migration. Glutaric acid is an indicator of glutaric aciduria type I[1][2][3].
Oxaloacetate
Oxalacetic acid, also known as oxaloacetic acid, keto-oxaloacetate or 2-oxobutanedioate, belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Oxalacetic acid is a metabolic intermediate in many processes that occur in animals and plants. It takes part in gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, fatty acid synthesis and the citric acid cycle. Oxalacetic acid exists in all living species, ranging from bacteria to plants to humans. Within humans, oxalacetic acid participates in a number of enzymatic reactions. In particular, oxalacetic acid is an intermediate of the citric acid cycle, where it reacts with acetyl-CoA to form citrate, catalyzed by citrate synthase. It is also involved in gluconeogenesis and the urea cycle. In gluconeogenesis oxaloacetate is decarboxylated and phosphorylated by phosphoenolpyruvate carboxykinase and becomes 2-phosphoenolpyruvate using guanosine triphosphate (GTP) as phosphate source. In the urea cycle, malate is acted on by malate dehydrogenase to become oxaloacetate, producing a molecule of NADH. After that, oxaloacetate can be recycled to aspartate, as this recycling maintains the flow of nitrogen into the cell. In mice, injections of oxalacetic acid have been shown to promote brain mitochondrial biogenesis, activate the insulin signaling pathway, reduce neuroinflammation and activate hippocampal neurogenesis (PMID: 25027327). Oxalacetic acid has also been reported to reduce hyperglycemia in type II diabetes and to extend longevity in C. elegans (PMID: 25027327). Outside of the human body, oxalacetic acid has been detected, but not quantified in, several different foods, such as Persian limes, lemon balms, wild rice, canola, and peanuts. This could make oxalacetic acid a potential biomarker for the consumption of these foods. Oxalacetic acid, also known as ketosuccinic acid or oxaloacetate, belongs to short-chain keto acids and derivatives class of compounds. Those are keto acids with an alkyl chain the contains less than 6 carbon atoms. Thus, oxalacetic acid is considered to be a fatty acid lipid molecule. Oxalacetic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Oxalacetic acid can be synthesized from succinic acid. Oxalacetic acid can also be synthesized into oxaloacetic acid 4-methyl ester. Oxalacetic acid can be found in a number of food items such as daikon radish, sacred lotus, cucurbita (gourd), and tarragon, which makes oxalacetic acid a potential biomarker for the consumption of these food products. Oxalacetic acid can be found primarily in cellular cytoplasm, cerebrospinal fluid (CSF), and urine, as well as in human liver tissue. Oxalacetic acid exists in all living species, ranging from bacteria to humans. In humans, oxalacetic acid is involved in several metabolic pathways, some of which include the oncogenic action of succinate, the oncogenic action of 2-hydroxyglutarate, glycogenosis, type IB, and the oncogenic action of fumarate. Oxalacetic acid is also involved in several metabolic disorders, some of which include the oncogenic action of l-2-hydroxyglutarate in hydroxygluaricaciduria, transfer of acetyl groups into mitochondria, argininemia, and 2-ketoglutarate dehydrogenase complex deficiency. Moreover, oxalacetic acid is found to be associated with anoxia. C274 - Antineoplastic Agent > C177430 - Agent Targeting Cancer Metabolism C26170 - Protective Agent > C1509 - Neuroprotective Agent Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2]. Oxaloacetic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=328-42-7 (retrieved 2024-10-17) (CAS RN: 328-42-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Indanone
Indanone is part of the Steroid hormone biosynthesis, and Arachidonic acid metabolism pathways. It is a substrate for: Aldo-keto reductase family 1 member C1, and Aldo-keto reductase family 1 member C3. D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Oxaluric acid
Oxalureate, also known as monooxalylurea or oxaluric acid, is a member of the class of compounds known as N-carbamoyl-alpha amino acids. N-carbamoyl-alpha amino acids are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom. Oxalureate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Oxalureate can be found in cocoa bean, which makes oxalureate a potential biomarker for the consumption of this food product. Oxalureate may be a unique E.coli metabolite.
2-Acetolactate
2-Acetolactate is involved in the butanoate metabolism and pantothenate and CoA biosynthesis pathways. In the butanoate metabolism pathway, 2-Acetolactate is created from 2-(alpha-Hydroxyethyl)thiamine diphosphate by acetolactate synthase [EC:2.2.1.6]. 2-Acetolactate is then converted to (R)-Acetoin by acetolactate decarboxylase [EC:4.1.1.5]. In the pantothenate and CoA pathway, 2-Acetolactate is irreversibly created from pyruvate by acetolactate synthase [EC:2.2.1.6]. 2-Acetolactate is then irreversibly converted to 2,3-Dihydroxy-3-methylbutanoate by ketol-acid reductoisomerase [EC:1.1.1.86]. 2-Acetolactate is involved in the butanoate metabolism and pantothenate and CoA biosynthesis pathways.
N-Carbamoylsarcosine
N-Carbamoylsarcosine is an intermediate in arginine and proline metabolism. It is also involved in a metabolic pathway for the degradation of creatinine. In this pathway, creatinine is not hydrolyzed back to creatine. Instead, it is deaminated to N-methylhydantoin, releasing an amonia molecule, by the action of creatinine deaminase (also known as creatinine iminohydrolase). N-methylhydantoin is then hydrolyzed to N-carbamoylsarcosine, by the action of N-methylhydantoin amidohydrolase, at the expense of one ATP molecule. N-carbamoylsarcosine is deaminated further to sarcosine by N-carbamoylsarcosine amidohydrolase, releasing a second ammonia molecule. In the last step of this pathway, sarcosine is hydrolyzed to glycine and formaldehyde, by either sarcosine dehydrogenase or sarcosine oxidase. [HMDB] N-Carbamoylsarcosine is an intermediate in arginine and proline metabolism. It is also involved in a metabolic pathway for the degradation of creatinine. In this pathway, creatinine is not hydrolyzed back to creatine. Instead, it is deaminated to N-methylhydantoin, releasing an amonia molecule, by the action of creatinine deaminase (also known as creatinine iminohydrolase). N-methylhydantoin is then hydrolyzed to N-carbamoylsarcosine, by the action of N-methylhydantoin amidohydrolase, at the expense of one ATP molecule. N-carbamoylsarcosine is deaminated further to sarcosine by N-carbamoylsarcosine amidohydrolase, releasing a second ammonia molecule. In the last step of this pathway, sarcosine is hydrolyzed to glycine and formaldehyde, by either sarcosine dehydrogenase or sarcosine oxidase.
Atropaldehyde
Atropaldehyde is a metabolite of felbamate. Felbamate (marketed under the brand name Felbatol by MedPointe) is an anti-epileptic drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. However, an increased risk of potentially fatal aplastic anemia and/or liver failure limit the drugs usage to severe refractory epilepsy. (Wikipedia)
5,6-Dihydro-5-fluorouracil
5,6-Dihydro-5-fluorouracil is a metabolite of fluorouracil. Fluorouracil (5-FU or f5U) (sold under the brand names Adrucil, Carac, Efudix, Efudex and Fluoroplex) is a drug that is a pyrimidine analog which is used in the treatment of cancer. It is a suicide inhibitor and works through irreversible inhibition of thymidylate synthase. It belongs to the family of drugs called antimetabolites. It is typically administered with leucovorin. (Wikipedia)
METHYLAZOXYMETHANOL ACETATE
D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D009676 - Noxae > D009498 - Neurotoxins
N-NITROSO-N-METHYLURETHANE
D009676 - Noxae > D000477 - Alkylating Agents
(S)-2-Acetolactate
(S)-2-Acetolactate is an intermediate in the biosynthesis of valine, leucine and isoleucine (KEGG ID C06010 ). It is the sixth to last step in the synthesis of protein and is converted from 2-hydroxy-3-methyl-2-oxobutanoate via the enzyme acetolactate synthase [EC:2.2.1.6]. It is then converted to 3-hydroxy-3-methyl-2-oxobutanoate via the enzyme ketol-acid reductoisomerase [EC:1.1.1.86]. [HMDB]. (S)-2-Acetolactate is found in many foods, some of which are chickpea, japanese persimmon, fruits, and star fruit. (S)-2-Acetolactate is an intermediate in the biosynthesis of valine, leucine and isoleucine (KEGG ID C06010 ). It is the sixth to last step in the synthesis of protein and is converted from 2-hydroxy-3-methyl-2-oxobutanoate via the enzyme acetolactate synthase [EC:2.2.1.6]. It is then converted to 3-hydroxy-3-methyl-2-oxobutanoate via the enzyme ketol-acid reductoisomerase [EC:1.1.1.86]. D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004399 - Dynorphins
D-Asparagine
D-Asparagine, also known as DSG, belongs to the class of organic compounds known as asparagine and derivatives. D-Asparagome is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. It is codified by the codons AAU and AAC. It is biosynthesized from Aspartic acid and Ammonia by asparagine synthetase.
DL-Asparagine
DL-Asparagine is a racemic melange of the Aparagine L and D-enantiomers. DL-Asparagine has been used in growth-media for bacteria-growth[1]. DL-Asparagine is a racemic melange of the Aparagine L and D-enantiomers. DL-Asparagine has been used in growth-media for bacteria-growth[1].
Ethylmalonate
Ethylmalonic acid, also known as alpha-carboxybutyric acid or ethylmalonate, is a member of the class of compounds known as branched fatty acids. Branched fatty acids are fatty acids containing one or more branched chains. Ethylmalonic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Ethylmalonic acid can be synthesized from malonic acid, and can be synthesized into (S)-ethylmalonyl-CoA and (R)-ethylmalonyl-CoA. Ethylmalonic acid can be found in blood, cerebrospinal fluid (CSF), and urine, as well as in human fibroblasts, prostate, and skeletal muscle tissues. Moreover, ethylmalonic acid is found to be associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency. Ethylmalonic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Chronically high levels of ethylmalonic acid are associated with at least two inborn errors of metabolism, including short-chain acyl-CoA dehydrogenase deficiency (SCAD deficiency) and ethylmalonic encephalopathy. Ethylmalonic acid is identified in the urine of patients with short-chain acyl-CoA dehydrogenase deficiency, which is a fatty acid metabolism disorder. When present at sufficiently high levels, ethylmalonic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Ethylmalonic acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart abnormalities, kidney abnormalities, liver damage, seizures, coma, and possibly death. These are also the characteristic symptoms of the untreated IEMs mentioned above. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. Ethylmalonic acid is identified in the urine of patients with short-chain acyl-coenzyme A dehydrogenase deficiency, which is a fatty acid metabolism disorder. [HMDB] Ethylmalonic acid is non-carcinogenic potentially toxic and associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency.
Methylsuccinate
Methylsuccinic acid (CAS: 498-21-5) is a normal metabolite found in human fluids. Increased urinary levels of methylsuccinic acid (together with ethylmalonic acid) are the main biochemical measurable features in ethylmalonic encephalopathy (OMIM: 602473), a rare metabolic disorder with an autosomal recessive mode of inheritance that is clinically characterized by neuromotor delay, hyperlactic acidemia, recurrent petechiae, orthostatic acrocyanosis, and chronic diarrhea (PMID:12382164). The underlying biochemical defect involves isoleucine catabolism (PMID:9667231). Methylsuccinic acid levels were found to have decreased in the urine of animals under D-serine-induced nephrotoxicity (D-serine causes selective necrosis of the proximal straight tubules in the rat kidney) (PMID:15596249). Moreover, methylsuccinic acid is found to be associated with ethylmalonic encephalopathy, isovaleric acidemia, and medium-chain acyl-CoA dehydrogenase deficiency, which are also inborn errors of metabolism. Methylsuccinic acid is a normal metabolite found in human fluids. Increased urinary levels of Methylsuccinic acid (together with ethylmalonic acid) are the main biochemical measurable features in ethylmalonic encephalopathy (OMIM 602473 ), a rare metabolic disorder with an autosomal recessive mode of inheritance that is clinically characterized by neuromotor delay, hyperlactic acidemia, recurrent petechiae, orthostatic acrocyanosis, and chronic diarrhea. (PMID 12382164) T he underlying biochemical defect involves isoleucine catabolism. (PMID 9667231) 2-Methylsuccinic acid is a normal metabolite in human fluids and the main biochemical measurable features in ethylmalonic encephalopathy.
2-Deoxy-L-ribono-1,4-lactone
2-Deoxy-L-ribono-1,4-lactone is found in herbs and spices. 2-Deoxy-L-ribono-1,4-lactone is a constituent of the fruit of Foeniculum vulgare (fennel). Constituent of the fruit of Foeniculum vulgare (fennel). 2-Deoxy-L-ribono-1,4-lactone is found in herbs and spices.
4-Methylpyrrolo[1,2-a]pyrazine
4-Methylpyrrolo[1,2-a]pyrazine is a component of roast beef aroma. Component of roast beef aroma
2-Hydroxy-4-oxopentanoic acid
2-Hydroxy-4-oxopentanoic acid is found in alcoholic beverages. 2-Hydroxy-4-oxopentanoic acid is formed in beer wort fermentation Alitretinoin (9-cis-retinoic acid) is a naturally-occurring endogenous retinoid indicated for topical treatment of cutaneous lesions in patients with AIDS-related Kaposis sarcoma. Alitretinoin inhibits the growth of Kaposis sarcoma (KS) cells in vitro. Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately control anterior/posterior patterning in early developmental stages. Retinoic acid acts by binding to heterodimers of the retinoic acid receptor (RAR) and the retinoid X receptor (RXR), which then bind to retinoic acid response elements (RAREs) in the regulatory regions of direct targets (including Hox genes), thereby activating gene transcription. Retinoic acid receptors mediate transcription of different sets of genes of cell differentiation, thus it also depends on the target cells. 2-Hydroxy-4-oxopentanoic acid is one of the target genes is the gene of the retinoic acid receptor itself which occurs during positive regulation. Control of retinoic acid levels is maintained by a suite of proteins. Retinoic acid is the oxidized form of Vitamin A. It functions in determining position along embryonic anterior/posterior axis in chordates. It acts through Hox genes, which ultimately controls anterior/posterior patterning in early developmental stages (PMID: 17495912). It is an important regulator of gene expression during growth and development, and in neoplasms. Tretinoin, also known as retinoic acid and derived from maternal vitamin A, is essential for normal growth and embryonic development. 2-Hydroxy-4-oxopentanoic acid is an excess of tretinoin can be teratogenic. It is used in the treatment of psoriasis; acne vulgaris; and several other skin diseases. It has also been approved for use in promyelocytic leukemia (leukemia, promyelocytic, acute). Formed in beer wort fermentation
2-C-Methyl-1,4-erythrono-D-lactone
Constituent of Trifolium incarnatum (crimson clover) and Phaseolus vulgaris (kidney bean). 2-C-Methyl-1,4-erythrono-D-lactone is found in many foods, some of which are tea, yellow wax bean, green bean, and pulses. (2xi,3xi)-4,5-Dihydro-3,4-dihydroxy-3-methyl-2(3H)-furanone is found in pulses. (2xi,3xi)-4,5-Dihydro-3,4-dihydroxy-3-methyl-2(3H)-furanone is isolated from chickpea Cicer arietinum.
1-Methylpyrrolo[1,2-a]pyrazine
1-Methylpyrrolo[1,2-a]pyrazine is a maillard product. Maillard product
Monoethyl malonic acid
Monoethyl malonic acid is an organic acid identified in the urine in a healthy pediatric population. (PMID 14708889) [HMDB] Monoethyl malonic acid is an organic acid identified in the urine in a healthy pediatric population. (PMID 14708889). 3-Ethoxy-3-oxopropanoic acid is an endogenous metabolite. 3-Ethoxy-3-oxopropanoic acid promotes plant growth[1].
2,4,6-Octatriynoic acid
2,4,6-Octatriynoic acid is found in mushrooms. 2,4,6-Octatriynoic acid is a constituent of Kuehneromyces mutabilis (two-toned wood tuft) and Russula vesca (bare-toothed russule) Constituent of Kuehneromyces mutabilis (two-toned wood tuft) and Russula vesca (bare-toothed russule). 2,4,6-Octatriynoic acid is found in mushrooms.
Dimethylmalonic acid
Dimethylmalonic acid is a dicarboxylic acid that is malonic acid in which both methylene hydrogens have been replaced by methyl groups. It has a role as a fatty acid synthesis inhibitor. Dimethylmalonic acid, also known as 2,2-dimethylmalonate or propanedioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Dimethylmalonic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Dimethylmalonic acid is a short-chain dicarboxylic acid occasionally found in human serum (PMID 7762817). Dimethylmalonic acid is a short-chain dicarboxylic acid in human serum. Dimethylmalonic acid is also a volatile organic compound detected in alveolar breath[1].
4-Mercapto-4-methyl-2-pentanone
4-Mercapto-4-methyl-2-pentanone is found in alcoholic beverages. 4-Mercapto-4-methyl-2-pentanone is present in Sauvignon wine Present in Sauvignon wines. 4-Mercapto-4-methyl-2-pentanone is found in alcoholic beverages.
(Z)-Cinnamaldehyde
(Z)-Cinnamaldehyde is found in ceylan cinnamon. Cinnamaldehyde is the organic compound that gives cinnamon its flavor and odor. This pale yellow viscous liquid occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum. The essential oil of cinnamon bark is about 90\\% cinnamaldehyde (Wikipedia). Cinnamaldehyde is the organic compound that gives cinnamon its flavor and odor. This pale yellow viscous liquid occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum. The essential oil of cinnamon bark is about 90\\% cinnamaldehyde. (Z)-3-Phenyl-2-propenal is found in ceylon cinnamon.
2,5-Dimethyl-3-mercaptotetrahydrofuran
2,5-Dimethyl-3-mercaptotetrahydrofuran is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
4-(Methylthio)-2-pentanone
4-(Methylthio)-2-pentanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
3-Mercapto-2-methylpentanal
Aroma constituent of cut raw onion. 3-Mercapto-2-methylpentanal is found in onion-family vegetables. 3-Mercapto-2-methylpentanal is found in onion-family vegetables. Aroma constituent of cut raw onio
2,3-Dihydro-5-methyl-3-thiophenethiol
2,3-Dihydro-5-methyl-3-thiophenethiol is a component of roast meat aroma models. Possesses a rubbery, meaty aroma. Component of roast meat aroma models. Possesses a rubbery, meaty aroma
4,5-Dihydro-2-methyl-3-thiophenethiol
4,5-Dihydro-2-methyl-3-thiophenethiol is a constituent of meat odour model systems. Possesses a roasted meat aroma. Constituent of meat odour model systems. Possesses a roasted meat aroma
4,5-Dihydro-5-methyl-3-thiophenethiol
4,5-Dihydro-5-methyl-3-thiophenethiol is a component of meat odour models. Possesses a roasted meat aroma. Component of meat odour models. Possesses a roasted meat aroma
S-Methyl 3-methylthiobutyrate
S-Methyl 3-methylthiobutyrate is found in fruits. S-Methyl 3-methylthiobutyrate is produced by micrococaceae and coryneform bacteria isolated from cheeses. Also in hop oil, honeydew melon, galbanum oil and (tentatively) cantaloupes. S-Methyl 3-methylthiobutyrate is a flavouring ingredient. Production by micrococaceae and coryneform bacteria isolated from cheesesand is) also in hop oil, honeydew melon, galbanum oil and (tentatively) cantaloupes. Flavouring ingredient. S-Methyl 3-methylthiobutyrate is found in milk and milk products and fruits.
3-Methyl sulfolene
3-methyl sulfolane is a sulfur source for bacteria species Shinella yambaruensis (PMID: 19244436)
2-Methylcumarone
2-Methylcumarone belongs to the family of Benzofurans. These are organic compounds containing a benzene ring fused to a furan
Methyl(acetoxymethyl)nitrosamine
D009676 - Noxae > D002273 - Carcinogens
Dimethyl malonate
Dimethyl malonate, also known as dimethyl malonic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Dimethyl malonate is soluble (in water) and a very weakly acidic compound (based on its pKa). Dimethyl malonate is a fruity tasting compound found in pineapple, which makes dimethyl malonate a potential biomarker for the consumption of this food product. Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1]. Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].
1-Methylthiopentan-3-one
1-methylthiopentan-3-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. 1-methylthiopentan-3-one is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 1-methylthiopentan-3-one can be found in kohlrabi, which makes 1-methylthiopentan-3-one a potential biomarker for the consumption of this food product.
Oxaloacetate
Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2]. Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2].
4,6,8-nonatriyn-1-ol|nona-4,6,8-triyn-1-ol|Nona-4.6.8-triin-1-ol|Nonatriin-(4.6.8)-ol-(1)
(+)Nona-3,4-dien-6,8-diin-1-ol|(+-)-marasin|(+/-)-marasin|(-)-marasin|(-)-Nona-3,4-dien-6,8-diin-1-ol|(R)-3,4-Nonadiene-6,8-diyn-1-ol|(R)-Nona-3,4-dien-6,8-diin-1-ol|(R)-nona-3,4-diene-6,8-diyn-1-ol|(Ra)-nona-3,4-diene-6,8-diyn-1-ol|(S)-3,4-Nonadiene-6,8-diyn-1-ol|marasin|nona-3,4-diene-6,8-diyn-1-ol|Nonadien-(3.4)-diin-(6.8)-ol-(1), DL-Marasin|R-(-)-Marasin
3,5,7-Nonatriyn-1-ol|nona-3,5,7-triyn-1-ol|Nona-3.5.7-triin-1-ol
3-Methylpyrrolo[1,2-a]pyrazine
A pyrrolopyrazine that is pyrrolo[1,2-a]pyrazine in which the hydrogen at position 3 is replaced by a methyl group.
Dimethyl malonate
Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1]. Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].
Dimethyl_malonate
Dimethyl malonate is a natural product found in Astragalus mongholicus, Myrtus communis, and Astragalus membranaceus with data available. Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1]. Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].
Methylsuccinic acid
Acquisition and generation of the data is financially supported in part by CREST/JST. 2-Methylsuccinic acid is a normal metabolite in human fluids and the main biochemical measurable features in ethylmalonic encephalopathy.
L-Asparagine
An optically active form of asparagine having L-configuration. L-Asparagine ((-)-Asparagine) is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. L-Asparagine ((-)-Asparagine) is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue.
Ureidopropionic acid
A beta-alanine derivative that is propionic acid bearing a ureido group at position 3. Ureidopropionic acid, also known as 3-ureidopropionate or N-carbamoyl-beta-alanine, is a member of the class of compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group. Ureidopropionic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Ureidopropionic acid can be found in a number of food items such as brussel sprouts, cascade huckleberry, common sage, and atlantic herring, which makes ureidopropionic acid a potential biomarker for the consumption of these food products. Ureidopropionic acid can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine. In humans, ureidopropionic acid is involved in a couple of metabolic pathways, which include beta-alanine metabolism and pyrimidine metabolism. Ureidopropionic acid is also involved in several metabolic disorders, some of which include MNGIE (mitochondrial neurogastrointestinal encephalopathy), dihydropyrimidinase deficiency, UMP synthase deficiency (orotic aciduria), and gaba-transaminase deficiency. Ureidopropionic acid (3-Ureidopropionic acid) is an intermediate in the metabolism of uracil.
trans-cinnamaldehyde
trans-Cinnamaldehyde can be used to prepare highly polyfunctionalized furan ring by reaction of alkyl isocyanides with dialkyl acetylenedicarboxylate[1]. trans-Cinnamaldehyde can be used to synthesize trans-cinnamaldehyde -β-cyclodextrin complex, an antimicrobial edible coating that increases the shelf life of fresh-cut fruits[2]. trans-Cinnamaldehyde can be used to prepare highly polyfunctionalized furan ring by reaction of alkyl isocyanides with dialkyl acetylenedicarboxylate[1]. trans-Cinnamaldehyde can be used to synthesize trans-cinnamaldehyde -β-cyclodextrin complex, an antimicrobial edible coating that increases the shelf life of fresh-cut fruits[2].
ETHYLMALONIC ACID
A dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group. Ethylmalonic acid is non-carcinogenic potentially toxic and associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency.
Cinnamaldehyde
Cinnamaldehyde is the organic compound that gives cinnamon its flavor and odor. This pale yellow viscous liquid occurs naturally in the bark of cinnamon trees and other species of the genus Cinnamomum. The essential oil of cinnamon bark is about 90\\% cinnamaldehyde. 3-Phenyl-2-propenal is found in many foods, some of which are fig, cloves, anise, and wild celery.
GLUTARIC ACID
An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. Glutaric acid, C5 dicarboxylic acid, is an intermediate during the catabolic pathways of lysine and tryptophan. Glutaric acid affects pericyte contractility and migration. Glutaric acid is an indicator of glutaric aciduria type I[1][2][3]. Glutaric acid, C5 dicarboxylic acid, is an intermediate during the catabolic pathways of lysine and tryptophan. Glutaric acid affects pericyte contractility and migration. Glutaric acid is an indicator of glutaric aciduria type I[1][2][3].
Glycyl-glycine
Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor. Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor.
Oxalacetic acid
C274 - Antineoplastic Agent > C177430 - Agent Targeting Cancer Metabolism C26170 - Protective Agent > C1509 - Neuroprotective Agent Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2]. Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2].
Monoethyl malonic acid
3-Ethoxy-3-oxopropanoic acid is an endogenous metabolite. 3-Ethoxy-3-oxopropanoic acid promotes plant growth[1].
DIMETHYLMALONIC ACID
Dimethylmalonic acid is a short-chain dicarboxylic acid in human serum. Dimethylmalonic acid is also a volatile organic compound detected in alveolar breath[1].
L-Asparagine
An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Asparagine ((-)-Asparagine) is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue. L-Asparagine ((-)-Asparagine) is a non-essential amino acid that is involved in the metabolic control of cell functions in nerve and brain tissue.
Oxaloacetic acid
An oxodicarboxylic acid that is succinic acid bearing a single oxo group.
3-Ureidopropionic acid [M+H-H2O]+; AIF; CE0; CorrDec
3-Ureidopropionic acid [M+H-H2O]+; AIF; CE10; CorrDec
3-Ureidopropionic acid [M+H-H2O]+; AIF; CE30; CorrDec
3-Ureidopropionic acid [M+H-H2O]+; AIF; CE0; MS2Dec
3-Ureidopropionic acid [M+H-H2O]+; AIF; CE10; MS2Dec
3-Ureidopropionic acid [M+H-H2O]+; AIF; CE30; MS2Dec
Glutarate
Glutaric acid, C5 dicarboxylic acid, is an intermediate during the catabolic pathways of lysine and tryptophan. Glutaric acid affects pericyte contractility and migration. Glutaric acid is an indicator of glutaric aciduria type I[1][2][3]. Glutaric acid, C5 dicarboxylic acid, is an intermediate during the catabolic pathways of lysine and tryptophan. Glutaric acid affects pericyte contractility and migration. Glutaric acid is an indicator of glutaric aciduria type I[1][2][3].
Ethylmalonate
Ethylmalonic acid is non-carcinogenic potentially toxic and associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency.
Ureidopropionate
Ureidopropionic acid (3-Ureidopropionic acid) is an intermediate in the metabolism of uracil.
Pyrotartarate
2-Methylsuccinic acid is a normal metabolite in human fluids and the main biochemical measurable features in ethylmalonic encephalopathy.
Dimethylmalonate
Dimethylmalonic acid is a short-chain dicarboxylic acid in human serum. Dimethylmalonic acid is also a volatile organic compound detected in alveolar breath[1].
FA 5:1;O2
D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004399 - Dynorphins 2-Methylsuccinic acid is a normal metabolite in human fluids and the main biochemical measurable features in ethylmalonic encephalopathy. Ethylmalonic acid is non-carcinogenic potentially toxic and associated with anorexia nervosa and malonyl-CoA decarboxylase deficiency.
FA 4:2;O3
C274 - Antineoplastic Agent > C177430 - Agent Targeting Cancer Metabolism C26170 - Protective Agent > C1509 - Neuroprotective Agent Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2]. Oxaloacetic acid (2-Oxosuccinic acid) is a metabolic intermediate involved in several ways, such as citric acid cycle, gluconeogenesis, the urea cycle, the glyoxylate cycle, amino acid synthesis, and fatty acid synthesis[1][2].
4-Mercapto-4-methylpentan-2-one
An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.
malate(2-)
A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid.
(4S)-5-Fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
(S)-4,5-dihydroxypentane-2,3-dione
Pentane substituted at the 2- and 3-positions by oxo groups, at the 4- and 5-positions by hydroxy groups and with S stereoconfiguration at C-4.
Diammonium phosphate
D000074385 - Food Ingredients > D005503 - Food Additives D016573 - Agrochemicals > D005308 - Fertilizers Dough strengthener, firming agent, leavening agent, pH control agent, processing aid, nutrient source, yeast nutrient and a starter for secondary fermentation in the production of sparkling wines
Cinnamal
D020011 - Protective Agents > D016587 - Antimutagenic Agents D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents D000970 - Antineoplastic Agents trans-Cinnamaldehyde can be used to prepare highly polyfunctionalized furan ring by reaction of alkyl isocyanides with dialkyl acetylenedicarboxylate[1]. trans-Cinnamaldehyde can be used to synthesize trans-cinnamaldehyde -β-cyclodextrin complex, an antimicrobial edible coating that increases the shelf life of fresh-cut fruits[2]. trans-Cinnamaldehyde can be used to prepare highly polyfunctionalized furan ring by reaction of alkyl isocyanides with dialkyl acetylenedicarboxylate[1]. trans-Cinnamaldehyde can be used to synthesize trans-cinnamaldehyde -β-cyclodextrin complex, an antimicrobial edible coating that increases the shelf life of fresh-cut fruits[2].
108-59-8
Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1]. Dimethyl malonate is a competitive inhibitor of succinate dehydrogenase (SDH). Dimethyl malonate is able to cross the blood-brain barrier and hydrolyse to malonate. Dimethyl malonate reduces neuronal apoptosis[1].
H-Gly-Gly-OH
A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor. Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor.
(2S)-2-ammoniobutanedioate
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
N-hydroxy-L-valinate
A monocarboxylic acid anion, obtained by removal of a proton from the carboxylic acid group of N-hydroxy-L-valine.
(4R,5S)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one
5-Ammoniolevulinic acid
A primary ammonium ion obtained by protonation of the amino group of 5-aminolevulinic acid.
1-Indanone
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Glycylglycine
A dipeptide formed from glycine residues. Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor. Glycylglycine is the simplest of all peptides and could function as a gamma-glutamyl acceptor.
Ethyl methyl(nitroso)carbamate
D009676 - Noxae > D000477 - Alkylating Agents
D-Asparagine
An optically active form of asparagine having D-configuration.
2-acetyllactic acid
A derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively.
(2S)-2-hydroxy-2-methyl-3-oxobutanoic acid
D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004399 - Dynorphins
Oxaluric acid
A 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom.
glycylglycine zwitterion
The zwitterion from the dipeptide glycylglycine formed by proton transfer from the OH of the carboxy group to the terminal amino group.
D-asparagine zwitterion
A D-alpha-amino acid zwitterion that is D-asparagine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
L-asparagine zwitterion
Zwitterionic form of L-asparagine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
indan-2-one
An indanone with an oxo substituent at position 2. It is a metabolite of indane.
(E)-Cinnamaldehyde
The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes.
(S)-4-hydroxy-2-oxopentanoic acid
An optically active form of 4-hydroxy-2-oxopentanoic acid having 4S-configuration.
1-phenyl-2-propyn-1-ol
{"Ingredient_id": "HBIN002980","Ingredient_name": "1-phenyl-2-propyn-1-ol","Alias": "NA","Ingredient_formula": "C9H8O","Ingredient_Smile": "C#CC(C1=CC=CC=C1)O","Ingredient_weight": "132.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35261","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "20155","DrugBank_id": "NA"}
2,3-dihydroxy-2-methyl-butyolactone
{"Ingredient_id": "HBIN004042","Ingredient_name": "2,3-dihydroxy-2-methyl-butyolactone","Alias": "NA","Ingredient_formula": "C5H8O4","Ingredient_Smile": "CC1(C(COC1=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6026","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-deoxy-1,4-lyxonolactone; l-form
{"Ingredient_id": "HBIN011512","Ingredient_name": "5-deoxy-1,4-lyxonolactone; l-form","Alias": "NA","Ingredient_formula": "C5H8O4","Ingredient_Smile": "NA","Ingredient_weight": "132.11","OB_score": "NA","CAS_id": "248256-29-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7686","PubChem_id": "NA","DrugBank_id": "NA"}
benzopyran Ⅱ
{"Ingredient_id": "HBIN017803","Ingredient_name": "benzopyran \u2161","Alias": "NA","Ingredient_formula": "C9H8O","Ingredient_Smile": "C1C=CC2=CC=CC=C2O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "36782","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
