Exact Mass: 130.09937440000002
Exact Mass Matches: 130.09937440000002
Found 500 metabolites which its exact mass value is equals to given mass value 130.09937440000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(4-Aminobutyl)guanidine
Agmatine ((4-aminobutyl)guanidine, NH2-CH2-CH2-CH2-CH2-NH-C(-NH2)(=NH)) is the decarboxylation product of the amino acid arginine and is an intermediate in polyamine biosynthesis. It is a putative neurotransmitter. It is synthesized in the brain, stored in synaptic vesicles, accumulated by uptake, released by membrane depolarization, and inactivated by agmatinase. Agmatine binds to 2-adrenergic receptor and imidazoline binding sites, and blocks NMDA receptors and other cation ligand-gated channels. Agmatine inhibits nitric oxide synthase (NOS), and induces the release of some peptide hormones. Treatment with exogenous agmatine exerts neuroprotective effects in animal models of neurotrauma. -- Wikipedia; Agmatine ((4-aminobutyl)guanidine, NH2-CH2-CH2-CH2-CH2-NH-C(-NH2)(=NH)) is the decarboxylation product of the amino acid arginine and is an intermediate in polyamine biosynthesis. It is discussed as a putative neurotransmitter. It is synthesized in the brain, stored in synaptic vesicles, accumulated by uptake, released by membrane depolarization, and inactivated by agmatinase. Agmatine binds to ?2-adrenergic receptor and imidazoline binding sites, and blocks NMDA receptors and other cation ligand-gated channels. Agmatine inhibits nitric oxide synthase (NOS), and induces the release of some peptide hormones. Agmatine is found in many foods, some of which are fruits, kohlrabi, carob, and burdock. Agmatine ((4-aminobutyl)guanidine, NH2-CH2-CH2-CH2-CH2-NH-C(-NH2)(=NH)) is the decarboxylation product of the amino acid arginine and is an intermediate in polyamine biosynthesis. It is a putative neurotransmitter. It is synthesized in the brain, stored in synaptic vesicles, accumulated by uptake, released by membrane depolarization, and inactivated by agmatinase. Agmatine binds to 2-adrenergic receptor and imidazoline binding sites, and blocks NMDA receptors and other cation ligand-gated channels. Agmatine inhibits nitric oxide synthase (NOS), and induces the release of some peptide hormones. Treatment with exogenous agmatine exerts neuroprotective effects in animal models of neurotrauma. Agmatine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=306-60-5 (retrieved 2024-07-01) (CAS RN: 306-60-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
N-Acetylputrescine
N-Acetylputrescine is a polyamine commonly occurring excreted in normal human urine (PMID 7775374). N-Acetylputrescine is the most abundant of all polyamines both in normal individuals and in patients with leukemia (PMID 9464484). N-Acetylputrescine is the N-acetylated form of the naturally occurring polyamine called putrescine. The N-acetylation is mediated by the enzyme diamine N-acetyltransferase. Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. N-Acetylputrescine can be found in Corynebacterium as well (PMID:25919117). N-Acetylputrescine is a polyamine commonly occurring excreted in normal human urine (PMID 7775374). N-Acetylputrescine is the most abundant of all polyamines both in normal individuals and in patients with leukemia (PMID 9464484). N-Acetylputrescine is the N-acetylated form of the naturally occurring polyamine called putrescine. The N-acetylation is mediated by the enzyme diamine N-acetyltransferase. Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A051
Heptanoic acid
Heptanoic acid, or C7:0 also known as enanthic acid or heptylic acid, belongs to the class of organic compounds known as medium-chain fatty acids. Medium-chain fatty acids (MCFA) are fatty acids with aliphatic tails of 6 to 12 carbons, which can form medium-chain triglycerides Heptanoic acid is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether. Its name derives from the Latin oenanthe which is in turn derived from the Ancient Greek oinos "wine" and anthos "blossom." Heptanoic acid is used in the preparation of esters, such as ethyl enanthate, which are used in fragrances and as artificial flavors. The triglyceride ester of heptanoic acid is the triheptanoin, which is used in certain medical conditions as a nutritional supplement. Present in essential oils, e.g. violet leaf oil, palm oiland is also present in apple, feijoa fruit, strawberry jam, clove bud, ginger, black tea, morello cherry, grapes, rice bran and other foodstuffs. Flavouring ingredient. It is used as one of the components in washing solns. used to assist lye peeling of fruit and vegetables
N-Nitrosodipropylamine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3456 D009676 - Noxae > D002273 - Carcinogens
4-Acetylbutyrate
4-Acetylbutyrate belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. KEIO_ID A092
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid (CAS: 1460-34-0) is an abnormal metabolite that arises from the incomplete breakdown of branched-chain amino acids. 3-Methyl-2-oxovaleric acid is a neurotoxin, an acidogen, and a metabotoxin. A neurotoxin causes damage to nerve cells and nerve tissues. 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 3-methyl-2-oxovaleric acid are associated with maple syrup urine disease. MSUD is a metabolic disorder caused by a deficiency of the branched-chain alpha-keto acid dehydrogenase complex (BCKDC), leading to a buildup of the branched-chain amino acids (leucine, isoleucine, and valine) and their toxic by-products (ketoacids) in the blood and urine. The symptoms of MSUD often show in infancy and lead to severe brain damage if untreated. MSUD may also present later depending on the severity of the disease. If left untreated in older individuals, during times of metabolic crisis, symptoms of the condition include uncharacteristically inappropriate, extreme, or erratic behaviour and moods, hallucinations, anorexia, weight loss, anemia, diarrhea, vomiting, dehydration, lethargy, oscillating hypertonia and hypotonia, ataxia, seizures, hypoglycemia, ketoacidosis, opisthotonus, pancreatitis, rapid neurological decline, and coma. In maple syrup urine disease, the brain concentration of branched-chain ketoacids can increase 10- to 20-fold. This leads to a depletion of glutamate and a consequent reduction in the concentration of brain glutamine, aspartate, alanine, and other amino acids. The result is a compromise of energy metabolism because of a failure of the malate-aspartate shuttle and a diminished rate of protein synthesis (PMID: 15930465). 3-Methyl-2-oxovaleric acid is a keto-acid, which is a subclass of organic acids. 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 MSUD. Many affected children with organic acidemias experience intellectual disability or delayed development. (s)-3-methyl-2-oxopentanoate, also known as (3s)-2-oxo-3-methyl-N-valeric acid or (S)-omv, 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, (s)-3-methyl-2-oxopentanoate is considered to be a fatty acid lipid molecule (s)-3-methyl-2-oxopentanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). (s)-3-methyl-2-oxopentanoate can be found in a number of food items such as bean, prickly pear, wild leek, and nutmeg, which makes (s)-3-methyl-2-oxopentanoate a potential biomarker for the consumption of these food products (s)-3-methyl-2-oxopentanoate may be a unique S.cerevisiae (yeast) metabolite.
Ketoleucine
Ketoleucine is an abnormal metabolite that arises from the incomplete breakdown of branched-chain amino acids. Ketoleucine is both a neurotoxin and a metabotoxin. A neurotoxin causes damage to nerve cells and nerve tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of ketoleucine are associated with maple syrup urine disease (MSUD). MSUD is a metabolic disorder caused by a deficiency of the branched-chain alpha-keto acid dehydrogenase complex (BCKDC), leading to a buildup of the branched-chain amino acids (leucine, isoleucine, and valine) and their toxic by-products (ketoacids) in the blood and urine. The symptoms of MSUD often show in infancy and lead to severe brain damage if untreated. MSUD may also present later depending on the severity of the disease. If left untreated in older individuals, during times of metabolic crisis, symptoms of the condition include uncharacteristically inappropriate, extreme, or erratic behaviour and moods, hallucinations, anorexia, weight loss, anemia, diarrhea, vomiting, dehydration, lethargy, oscillating hypertonia and hypotonia, ataxia, seizures, hypoglycemia, ketoacidosis, opisthotonus, pancreatitis, rapid neurological decline, and coma. In maple syrup urine disease, the brain concentration of branched-chain ketoacids can increase 10- to 20-fold. This leads to a depletion of glutamate and a consequent reduction in the concentration of brain glutamine, aspartate, alanine, and other amino acids. The result is a compromise of energy metabolism because of a failure of the malate-aspartate shuttle and a diminished rate of protein synthesis (PMID: 15930465). Ketoleucine, also known as alpha-ketoisocaproic acid or 2-oxoisocaproate, 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. Ketoleucine is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Ketoleucine can be found in a number of food items such as arctic blackberry, sesame, sea-buckthornberry, and soft-necked garlic, which makes ketoleucine a potential biomarker for the consumption of these food products. Ketoleucine can be found primarily in most biofluids, including saliva, blood, cerebrospinal fluid (CSF), and urine, as well as in human muscle, neuron and prostate tissues. Ketoleucine exists in all living species, ranging from bacteria to humans. In humans, ketoleucine is involved in the valine, leucine and isoleucine degradation. Ketoleucine is also involved in several metabolic disorders, some of which include methylmalonate semialdehyde dehydrogenase deficiency, propionic acidemia, 3-methylglutaconic aciduria type IV, and 3-methylglutaconic aciduria type I. Ketoleucine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Ketoleucine is a metabolite that accumulates in Maple Syrup Urine Disease (MSUD) and shown to compromise brain energy metabolism by blocking the respiratory chain (T3DB). 4-Methyl-2-oxopentanoic acid (α-Ketoisocaproic acid), an abnormal metabolite, is both a neurotoxin and a metabotoxin.
(S)-3-Octanol
Present in Mentha subspecies oils, sage, soybeans, porcini (Boletus edulis), wines and other foodstuffs. Flavouring agent. 3-Octanol is found in many foods, some of which are mushrooms, soy bean, rosemary, and alcoholic beverages. 3-Octanol is found in alcoholic beverages. 3-Octanol is present in Mentha species oils, sage, soybeans, porcini (Boletus edulis), wines and other foodstuffs. 3-Octanol is a flavouring agent
Octanol
1-Octanol, also known as octan-1-ol, is the organic compound with the molecular formula CH3(CH2)7OH. It is a fatty alcohol. Many other isomers are also known generically as octanols. Octanol is mainly produced industrially by the oligomerization of ethylene using triethylaluminium followed by oxidation of the alkylaluminium products. This route is known as the Ziegler alcohol synthesis. Octanol also occurs naturally in the form of esters in some essential oils. Octanol and water are immiscible. The distribution of a compound between water and octanol is used to calculate the partition coefficient (logP) of that molecule. Water/octanol partitioning is a good approximation of the partitioning between the cytosol and lipid membranes of living systems. Octanol is a colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. It is also one of many compounds derived from tobacco and tobacco smoke and shown to increase the permeability of the membranes of human lung fibroblasts (PMID 7466833). Occurs in the form of esters in some essential oils. Flavouring agent. 1-Octanol is found in many foods, some of which are common wheat, lime, tea, and corn. D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
xi-2-Ethyl-1-hexanol
Xi-2-ethyl-1-hexanol, also known as 2-ethylhexyl alcohol or octyl alcohol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, xi-2-ethyl-1-hexanol is considered to be a fatty alcohol lipid molecule. Xi-2-ethyl-1-hexanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Xi-2-ethyl-1-hexanol can be found in a number of food items such as tea, cereals and cereal products, fats and oils, and alcoholic beverages, which makes xi-2-ethyl-1-hexanol a potential biomarker for the consumption of these food products. Xi-2-ethyl-1-hexanol can be found primarily in feces and saliva. Xi-2-ethyl-1-hexanol exists in all eukaryotes, ranging from yeast to humans. 2-Ethyl-1-hexanol, also known as 2-ethylhexyl alcohol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 2-ethyl-1-hexanol is considered to be a fatty alcohol lipid molecule. 2-ethyl-1-hexanol is practically insoluble in water. 2-Ethyl-1-hexanol can be found in a number of food items such as tea, cereals and cereal products, fats and oils, and alcoholic beverages. 2-Ethyl-1-hexanol exists in all eukaryotes, ranging from yeast to humans and in mammals it can be found primarily in feces and saliva.
2-Ketohexanoic acid
2-Ketohexanoic acid is a potent insulin secretagogue (PMID 7045091). 2-Ketohexanoic acid directly inhibits the ATP-sensitive K+ channel (KATP channel) in pancreatic beta-cells (stimulated in isolated mouse islets), but it is unknown whether direct KATP channel inhibition contributes to insulin release by 2-ketohexanoic acid and related alpha-keto acid anions, which are generally believed to act via beta-cell metabolism (PMID 16014804). 2-Ketohexanoic acid is a potent insulin secretagogue. (PMID 7045091)
dihydro-3-hydroxy-4,4-dimethyl- 2(3H)-Furanone
Flavouring compound [Flavornet] DL-Pantolactone can be hydrolyzed to Pantoic acid by the lactonohydrolase of Fusarium oxysporum. DL-Pantolactone also can be used in the preparation of 3,5-dinitrobenzoyl-DL-pantolactone[1][2]. DL-Pantolactone can be hydrolyzed to Pantoic acid by the lactonohydrolase of Fusarium oxysporum. DL-Pantolactone also can be used in the preparation of 3,5-dinitrobenzoyl-DL-pantolactone[1][2]. Pantolactone is an endogenous metabolite.
4-Trimethylammoniobutanal
4-Trimethylammoniobutanal is a substrate for Serine hydroxymethyltransferase (cytosolic), Serine hydroxymethyltransferase (mitochondrial), Aldehyde dehydrogenase (mitochondrial), Fatty aldehyde dehydrogenase, 4-trimethylaminobutyraldehyde dehydrogenase, Aldehyde dehydrogenase (dimeric NADP-preferring), Aldehyde dehydrogenase family 7 member A1, Aldehyde dehydrogenase 1A3 and Aldehyde dehydrogenase X (mitochondrial). [HMDB] 4-Trimethylammoniobutanal is a substrate for Serine hydroxymethyltransferase (cytosolic), Serine hydroxymethyltransferase (mitochondrial), Aldehyde dehydrogenase (mitochondrial), Fatty aldehyde dehydrogenase, 4-trimethylaminobutyraldehyde dehydrogenase, Aldehyde dehydrogenase (dimeric NADP-preferring), Aldehyde dehydrogenase family 7 member A1, Aldehyde dehydrogenase 1A3 and Aldehyde dehydrogenase X (mitochondrial).
3-Oxohexanoic acid
3-Oxohexanoic acid is fatty acid formed by the action of Fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. This fatty acid is involved in fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enznymes; beta-ketoacyl -acyl-carrier- protein synthase, fatty-acid Synthase, and beta- ketoacyl -acyl-carrier- protein synthase II. [HMDB] 3-Oxohexanoic acid is fatty acid formed by the action of Fatty acid synthases from acetyl-CoA and malonyl-CoA precursors. This fatty acid is involved in fatty acid biosynthesis. Specifically, it is the product of reaction between malonic acid and three enznymes; beta-ketoacyl -acyl-carrier- protein synthase, fatty-acid Synthase, and beta- ketoacyl -acyl-carrier- protein synthase II.
4-methyl-3-oxopentanoic acid
A valeric acid derivative carrying an oxo group substituent at C-3.
Ethyl acetoacetate
Ethyl acetoacetate (EAA) is found in coffee and coffee products as well as in strawberry and yellow passion fruit juice. Ethyl acetoacetate is a flavouring agent. The organic compound ethyl acetoacetate is the ethyl ester of acetoacetic acid. It is mainly used as a chemical intermediate in the production of a wide variety of compounds, such as amino acids, analgesics, antibiotics, antimalarial agents, antipyrine, aminopyrine, and vitamin B1, as well as in the manufacture of dyes, inks, lacquers, perfumes, plastics, and yellow paint pigments (Wikipedia). The organic compound ethyl acetoacetate (EAA) is the ethyl ester of acetoacetic acid. It is mainly used as a chemical intermediate in the production of a wide variety of compounds, such as amino acids, analgesics, antibiotics, antimalarial agents, antipyrine and aminopyrine, and vitamin B1; as well as the manufacture of dyes, inks, lacquers, perfumes, plastics, and yellow paint pigments. Alone, it is used as a flavoring for food.
Adipate semialdehyde
Adipate semialdehyde is the intermediate metabolite in the formation of caproic acid. Adipate semialdehyde is converted from .alpha.-ketopimelate catalyzed by the decarboxylase enzyme, and the aminotransferase enzyme catalyzes the conversion of adipate semialdehyde to amino caproic acid. Adipate semialdehyde is the intermediate metabolite in the formation of caproic acid.
Ethyl isovalerate
Ethyl isovalerate, also known as ethyl isopentanoate or fema 2463, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acids. Ethyl isovalerate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Found in fruits and vegetables e.g. apple, banana, melon, strawberry, pineapple, blackberries and celery. It is used in fruit aroma compositions. Flavouring ingredient.
Isopentyl acetate
Isopentyl acetate, also known as isoamyl acetate or amylacetic ester, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Isopentyl acetate is an ester formed from isoamyl alcohol and acetic acid. It is a colorless liquid that is only slightly soluble in water, but very soluble in most organic solvents. Isopentyl acetate has a sweet, fruity banana odor and similar sweet, fruity banana taste. Isopentyl acetate is used to confer banana flavor in foods. Isopentyl acetate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Outside of the human body, Isopentyl acetate is found, on average, in the highest concentration within a few different foods, such as red wines, white wines, and beers. Isopentyl acetate has also been detected, but not quantified in, several different foods, such as blackberries (Rubus), figs (Ficus carica), red teas, bananas (Musa acuminata), and black elderberries (Sambucus nigra). This could make isopentyl acetate a potential biomarker for the consumption of these foods. Isopentyl acetate occurs naturally in the banana plant and it is also produced synthetically. Based on a literature review a significant number of articles have been published on Isopentyl acetate. Pure isopentyl acetate, or mixtures of isopentyl acetate, amyl acetate, and other flavors may be referred to as banana oil. Because of its intense, pleasant odor and its low toxicity, isopentyl acetate is used to test the effectiveness of respirators or gas masks. Isopentyl acetate is released by a honey bees sting where it serves as a pheromone beacon to attract other bees and provoke them to sting. Present in many fruit aromas, especies banana. It is used in banana flavouring
2-Piperazinecarboxylic acid
C5H10N2O2 (130.07422400000002)
A piperazine-2-carboxylic acid having (R)-configuration.
2-Oxo-3-methylvalerate
CONFIDENCE standard compound; ML_ID 14 3-Methyl-2-oxovaleric acid is a neurotoxin, an acidogen, and a metabotoxin, and also an abnormal metabolite that arises from the incomplete breakdown of branched-chain amino acids.
DL-Mevalonolactone
DL-Mevalonolactone ((±)-Mevalonolactone;Mevalolactone) is the δ-lactone form of mevalonic acid, a precursor in the mevalonate pathway. DL-Mevalonolactone (Mevalonolactone) decreases mitochondrial membrane potential (?Ψm), NAD(P)H content and the capacity to retain Ca2+ in the brain, besides inducing mitochondrial swelling[1][2].
Mevalonolactone
Mevalonolactone is a substance obtained by the dehydration of mevalonic acid and is rapidly converted back into mevalonic acid in water. Mevaolonic acid exists in equilibrium with mevalolactone, which is formed by internal condensation of mevalonic acids terminal alcohol and carboxylic acid functional groups. Mevalonic acid is a key intermediate in the biosynthesis of terpenes and steroids. Mevalonolactone is known ot inhibit HMG-CoA reductase activity. [HMDB] Mevalonolactone is a substance obtained by the dehydration of mevalonic acid and is rapidly converted back into mevalonic acid in water. Mevaolonic acid exists in equilibrium with mevalolactone, which is formed by internal condensation of mevalonic acids terminal alcohol and carboxylic acid functional groups. Mevalonic acid is a key intermediate in the biosynthesis of terpenes and steroids. Mevalonolactone is known ot inhibit HMG-CoA reductase activity. DL-Mevalonolactone ((±)-Mevalonolactone;Mevalolactone) is the δ-lactone form of mevalonic acid, a precursor in the mevalonate pathway. DL-Mevalonolactone (Mevalonolactone) decreases mitochondrial membrane potential (?Ψm), NAD(P)H content and the capacity to retain Ca2+ in the brain, besides inducing mitochondrial swelling[1][2].
Isopropyl butyrate
Isopropyl butyrate is found in alcoholic beverages. Isopropyl butyrate is present in apricot, kumquat peel oil, American cranberry, papaya, strawberry, spineless monkey orange and sparkling wine. Isopropyl butyrate is a flavouring ingredient. Present in apricot, kumquat peel oil, American cranberry, papaya, strawberry, spineless monkey orange and sparkling wine. Flavouring ingredient. Isopropyl butyrate is found in alcoholic beverages and fruits.
D-1-Amino-2-pyrrolidinecarboxylic acid
C5H10N2O2 (130.07422400000002)
D-1-Amino-2-pyrrolidinecarboxylic acid is obtained from linseed mea
Pentyl acetate
Flavouring agent. Pentyl acetate is found in many foods, some of which are cocoa bean, sweet bay, peach, and apple. Pentyl acetate is found in apple. Pentyl acetate is a flavouring agent.
Methyl hexanoate
Methyl hexanoate, also known as methyl caproate or methyl hexoic acid, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Methyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Present in wine grapes, melon, raspberry, blackberry, plum, quince, apple brandy, wines, Bourbon vanilla, coffee, black tea, potato, tomato, cheeses, rye bread, meats and other foodstuffs. Flavouring agent. Methyl hexanoate is found in many foods, some of which are milk and milk products, fruits, pineapple, and apple.
L-cis-3-Amino-2-pyrrolidinecarboxylic acid
C5H10N2O2 (130.07422400000002)
L-cis-3-Amino-2-pyrrolidinecarboxylic acid is found in mushrooms. L-cis-3-Amino-2-pyrrolidinecarboxylic acid is isolated from Morchella esculenta (common morel
2-Methylbutyl acetate
2-Methylbutyl acetate, also known as active amyl acetate or fema 3644, belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). 2-Methylbutyl acetate is a sweet, banana, and fruit tasting compound. 2-methylbutyl acetate is found, on average, in the highest concentration in allspices. 2-methylbutyl acetate has also been detected, but not quantified, in figs and pomes. This could make 2-methylbutyl acetate a potential biomarker for the consumption of these foods. The acetate ester of 2-methylbutan-1-ol. Present in apple juice, flavouring ingredient. 2-Methylbutyl acetate is found in allspice, fig, and pomes.
5-Methylhexanoic acid
5-Methylhexanoic acid is found in animal foods. 5-Methylhexanoic acid is present in heated pork, strawberry and te Present in heated pork, strawberry and tea. 5-Methylhexanoic acid is found in tea, animal foods, and fruits.
(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one
(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one is found in root vegetables. (4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one is a constituent of Osmunda japonica (zenmai). Constituent of Osmunda japonica (zenmai). (4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one is found in root vegetables.
Sherry lactone
Constituent of akaboshi zenmai (Osmunda japonica) fronds. Also isolated from sherry (stereochem. unspecified). Sherry lactone is found in alcoholic beverages and root vegetables. Sherry lactone is found in alcoholic beverages. Sherry lactone is a constituent of akaboshi zenmai (Osmunda japonica) fronds. Also isolated from sherry (stereochem. unspecified).
Acetoin acetate
Present in pineapple, paw paw, arctic bramble, red wine, cocoa and roast chicken. Flavouring ingredient. Acetoin acetate is found in many foods, some of which are alcoholic beverages, animal foods, fruits, and cocoa and cocoa products. Acetoin acetate is found in alcoholic beverages. Acetoin acetate is present in pineapple, paw paw, arctic bramble, red wine, cocoa and roast chicken. Acetoin acetate is a flavouring ingredient.
(±)-2-Octanol
2-octanol, also known as 2-octanol, (S)-isomer or 1-methyl-1-heptanol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 2-octanol is considered to be a fatty alcohol lipid molecule. 2-octanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-octanol is an earthy, fat, and fresh tasting compound found in common buckwheat, corn, and ginger, which makes 2-octanol a potential biomarker for the consumption of these food products. 2-octanol is used such as or as a raw material in various applications: flavors and fragrances, paints and coatings, inks, adhesives, home care, lubricants and fuels. 2-Octanol can be a biobased alternative of 2-ethylhexanol and its derivates in numerous applications . (±)-2-Octanol, also known as 2-octanol or 2-hydroxyoctane, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. (±)-2-Octanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (±)-2-octanol is considered to be a fatty alcohol lipid molecule
2-Methylpropyl propanoate
2-Methylpropyl propanoate is a flavouring ingredien Flavouring ingredient
(±)-2-Pentanol acetate
(±)-2-Pentanol acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Butyl propionate
Butyl propionate is a flavouring ingredien Flavouring ingredient
2-Methylhexanoic acid
(±)-2-Methylhexanoic acid is a flavouring ingredien It is used as a food additive . 2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1].
5-Ethoxy-4,5-dihydro-2(3H)furanone
5-Ethoxy-4,5-dihydro-2(3H)furanone is found in alcoholic beverages. 5-Ethoxy-4,5-dihydro-2(3H)furanone is an aroma component of Ruby Cabernet wine from the European grape Vitis vinifer
(S)-3-Ethyl-4-methylpentanol
(S)-3-Ethyl-4-methylpentanol belongs to the family of Primary Alcohols. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl)
Methyl 4-methylpentanoate
Methyl 4-methylpentanoate is a member of the class of compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Thus, methyl 4-methylpentanoate is considered to be a fatty ester lipid molecule. Methyl 4-methylpentanoate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl 4-methylpentanoate can be found in fruits, which makes methyl 4-methylpentanoate a potential biomarker for the consumption of this food product. Methyl 4-methylpentanoate is found in fruits. Methyl 4-methylpentanoate is present in pineapple. Methyl 4-methylpentanoate is a flavouring ingredient with a sweet, pineapple-like flavou
Methyl levulinate
Methyl levulinate is a caramellic flavouring agent [CCD]. Caramellic flavouring agent [CCD]
Ethyl 2-methylbutyrate
Ethyl 2-methylbutyrate is found in bilberry. Ethyl 2-methylbutyrate is found in many fruits, e.g.raw and cooked apple, apricot, orange, grapefruit. Ethyl 2-methylbutyrate is a flavouring agent. Ethyl 2-methylbutyrate is used in fruit flavouring. Found in many fruits, e.g.raw and cooked apple, apricot, orange, grapefruit. Flavouring agent. It is used in fruit flavouring.
2-Methyl-3-ketovaleric acid
2-Methyl-3-ketovaleric acid is a metabolite of beta-leucine in the beta-keto pathway of leucine metabolism. 2-Methyl-3-ketovaleric acid is a known pathological metabolite and associated with propionic acidemia, especially during periods of ketoacidosis; a severe deficiency of propionyl-CoA carboxylase in cultured fibroblasts has been detected in some neonatal cases. (PMID 7389125, 6820422, 7119896, 7430116, 3356699). 2-Methyl-3-ketovaleric acid induces a strong activity of inosine-5-monophosphate dehydrogenase (IMPDH; the rate-limiting enzyme in GTP synthesis), mimicking glucose. (PMID: 11145582). 2-Methyl-3-ketovaleric acid is a metabolite of beta-leucine in the beta-keto pathway of leucine metabolism. 2-Methyl-3-ketovaleric acid is a known pathological metabolite and associated with propionic acidemia, especially during periods of ketoacidosis; a severe deficiency of propionyl-CoA carboxylase in cultured fibroblasts has been detected in some neonatal cases. (PMID 7389125, 6820422, 7119896, 7430116, 3356699)
2-Ethyl-4-methyl-1-pentanol
2-Ethyl-4-methyl-1-pentanol is an anesthetic agents, anti-allergic agents, antibiotic and antimicrobial Agents.
3-Methylcyclohexanethiol
3-Methylcyclohexanethiol is a food flavour additive. Use supported only by patent informatio
4-Methyl-2-heptanol
4-Methyl-2-heptanol is a constituent of Osmanthus fragrans (sweet osmanthus) Constituent of Osmanthus fragrans (sweet osmanthus).
cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane
cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Hexyl formate
Present in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Flavouring ingredient. Hexyl formate is found in many foods, some of which are peach, apple, fruits, and root vegetables. Hexyl formate is found in apple. Hexyl formate is present in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Hexyl formate is a flavouring ingredient.
2,3,4-Trimethyl-3-pentanol
2,3,4-Trimethyl-3-pentanol is found in alcoholic beverages. 2,3,4-Trimethyl-3-pentanol is a flavouring agent for foods. 2,3,4-Trimethyl-3-pentanol is present in muscadine grapes, wines and chinese jujube fruit (Zizyphus jujuba 2,3,4-Trimethyl-3-pentanol is a flavouring agent for foods. It is found in muscadine grapes, wines and chinese jujube fruit (Zizyphus jujuba).
Propyl 2-methylpropanoate
Propyl 2-methylpropanoate is used in fruit flavourin It is used in fruit flavouring
Methyl (±)-2-methylpentanoate
Methyl (±)-2-methylpentanoate is a flavouring ingredien Flavouring ingredient
(2xi,4xi)-2,4-Dimethyl-1-hexanol
(2xi,4xi)-2,4-Dimethyl-1-hexanol is found in alcoholic beverages. Aroma and taste producing constituent of wine. Aroma and taste producing constituent of wine. (2xi,4xi)-2,4-Dimethyl-1-hexanol is found in alcoholic beverages.
Isopropyl 2-methylpropanoate
Isopropyl 2-methylpropanoate is found in pineapple. Isopropyl 2-methylpropanoate is used in fruit flavouring. It is used in fruit flavouring. Isopropyl 2-methylpropanoate is found in pineapple.
Propyl butyrate
Propyl butyrate, also known as propyl butanoate, is a butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid. It has a role as a human metabolite, a plant metabolite and an insect attractant. It derives from a propan-1-ol. Propyl butyrate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Propyl butyrate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Present in many fruits, e.g. apple, apricot, banana, melon, papaya etc., also present in Camembert and other cheeses. Flavouring ingredient. Propyl butyrate is found in pomes, milk and milk products, and fruits.
Ethyl pentanoate
Ethyl pentanoate, commonly known as ethyl valerate, is an organic compound used in flavouring foods and enhancing the aroma of cosmetics. It is an ester with the molecular formula C7H14O2. This colourless liquid is poorly soluble in water but miscible with organic solvents. Ethyl pentanoate is found naturally in a variety of alcoholic beverages such as various wines, Bantu beer, and sake. It is also found in other foods such as honey, apple, banana, morello cherry, guava and a number of other fruits. Industrially, ethyl pentanoate is used as a flavouring agent and has a pleasant apple or pineapple-like aroma or scent and a strawberry or pineapple-like taste. It can also be found in tropical-scented cosmetics. Present in wines, Bantu beer, sake, honey, apple, banana, morello cherry, guava and other fruits. Flavouring agent
2-Propyl-1-pentanol
2-propyl-1-pentanol is classified as a member of the primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). 2-propyl-1-pentanol is considered to be a practically insoluble (in water) and an extremely weak acidic compound. 2-propyl-1-pentanol can be found in feces.
(3R,4R)-3-Amino-1-hydroxy-4-methylpyrrolidin-2-one
C5H10N2O2 (130.07422400000002)
(2S,4R)-4-Aminopyrrolidine-2-carboxylic acid
C5H10N2O2 (130.07422400000002)
2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-
Cucurbitin
C5H10N2O2 (130.07422400000002)
Cucurbitin is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Cucurbitin is soluble (in water) and a moderately acidic compound (based on its pKa). Cucurbitin can be found in cucumber and muskmelon, which makes cucurbitin a potential biomarker for the consumption of these food products. Cucurbitin is an amino acid and a carboxypyrrolidine that is found in Cucurbita seeds. Cucurbitin causes degenerative changes in the reproductive organs of parasitic flatworms called flukes .
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid is a neurotoxin, an acidogen, and a metabotoxin, and also an abnormal metabolite that arises from the incomplete breakdown of branched-chain amino acids.
Ketoleucine
4-Methyl-2-oxopentanoic acid (α-Ketoisocaproic acid), an abnormal metabolite, is both a neurotoxin and a metabotoxin.
4-Aminopyrrolidine-2-carboxylic acid
C5H10N2O2 (130.07422400000002)
3-Methyl-2-oxovaleric acid
A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD). 3-Methyl-2-oxovaleric acid is a neurotoxin, an acidogen, and a metabotoxin, and also an abnormal metabolite that arises from the incomplete breakdown of branched-chain amino acids.
N-Hydroxy:B,HCl-(R)-3-Amino-2-piperidinone
C5H10N2O2 (130.07422400000002)
3-hydroxyhexane-2,5-dione
A diketone that is hexane-2,5-dione in which a hydrogen at position 3 has been replaced by a hydroxy group.
N-acetylputrescine
An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine.
3-OCTANOL
Present in Japanese peppermint oil and many other essential oils. (S)-3-Octanol is found in herbs and spices.
Octanol
D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
N-Amino-D-proline; AIF; CE0; MS2Dec
C5H10N2O2 (130.07422400000002)
N-Amino-D-proline; AIF; CE10; MS2Dec
C5H10N2O2 (130.07422400000002)
N-Amino-D-proline; AIF; CE30; MS2Dec
C5H10N2O2 (130.07422400000002)
HEPTANOIC ACID
A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.
Methyl hexoate
A fatty acid methyl ester derived from hexanoic (caproic acid).
Propyl butyrate
A butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid.
FOH 8:0
D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
4,5-DIHYDRO-6-METHYL-3(2H)-PYRIDAZINONE HYDRATE
C5H10N2O2 (130.07422400000002)
Pyrrolidine, 2-(nitromethyl)- (9CI)
C5H10N2O2 (130.07422400000002)
(2E)-3-methyl-3-(methylamino)butan-2-one oxime(SALTDATA: FREE)
2-Oxazolidinone,3-(2-aminoethyl)-(9CI)
C5H10N2O2 (130.07422400000002)
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecadeuterio-8-deuteriooxyoctane
3-Pyrrolidinecarboxylicacid,4-amino-
C5H10N2O2 (130.07422400000002)
N~1~,N~1~,N~3~-trimethyl-beta-alaninamide(SALTDATA: FREE)
6-deuterio-5-(trideuteriomethyl)-1H-pyrimidine-2,4-dione
(3R,5S)-rel-3-Amino-5-hydroxy-2-piperidinone
C5H10N2O2 (130.07422400000002)
Pyrrolidine, 3-methoxy-1-nitroso- (9CI)
C5H10N2O2 (130.07422400000002)
(2S,3S)-3-Hydroxypyrrolidine-2-carboxamide
C5H10N2O2 (130.07422400000002)
3-Methoxy-3-methylhexane
An ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3.
6-Aminohexanoate
An amino-acid anion that is the conjugate base of 6-aminohexanoic acid.
LS-687
(R)-piperazin-4-ium-2-carboxamide(1+)
C5H12N3O+ (130.09803219999998)
(S)-piperazin-4-ium-2-carboxamide(1+)
C5H12N3O+ (130.09803219999998)
(2S)-2-amino-5-iminopentanoic acid
C5H10N2O2 (130.07422400000002)
(2S)-piperazin-1-ium-2-carboxylate
C5H10N2O2 (130.07422400000002)
1-octanol
D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
2-Ethylhexanol
A primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2.
(S)-Piperazine-2-carboxylic acid
C5H10N2O2 (130.07422400000002)
A piperazine-2-carboxylic acid having (S)-configuration.
2-METHYLHEXANOIC ACID
2-methylhexanoic acid is a medium-chain fatty acid and is used as flavouring[1].
Ethyl 2-methylbutyrate
A fatty acid ethyl ester obtained by the formal condensation of 2-methylbutyric acid with ethanol. It is a constituent of the aroma of wines, strawberries, blueberries, and apples.
1-aminopyrrolidine-2-carboxylic acid
C5H10N2O2 (130.07422400000002)
3-aminopyrrolidine-2-carboxylic acid
C5H10N2O2 (130.07422400000002)
6-methylheptan-1-ol
A primary alcohol that is heptane which is substituted by a methyl group at position 6 and a hydroxy group at position 1.
L-2-Aminohexanoate
An L-alpha-amino acid anion that is the conjugate base of L-norleucine.
Leucinate
An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group.
octan-3-ol
A secondary alcohol that is octane substituted by a hydroxy group at position 3.
octan-4-ol
A secondary alcohol that is octane substituted by a hydroxy group at position 4.
2,2,4-Trimethylpentanol
{"Ingredient_id": "HBIN003663","Ingredient_name": "2,2,4-Trimethylpentanol","Alias": "Pentanol, 2,2,4-trimethyl-; ST5409827; InChI=1/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H; 1-Pentanol, 2,2,4-trimethyl-; AI3-26041; NSC35410; 4-01-00-01795 (Beilstein Handbook Reference); 123-44-4; EINECS 204-628-8; WLN: Q1X1 & 1 & 1Y1 & 1; 1331-40-4; BRN 1697386; 2,2,4-Trimethylpentan-1-ol; NSC 35410; ZINC01667607; 2,2,4-Trimethyl-1-pentanol","Ingredient_formula": "C8H18O","Ingredient_Smile": "CC(C)CC(C)(C)CO","Ingredient_weight": "130.23 g/mol","OB_score": "102.3316555","CAS_id": "1331-40-4","SymMap_id": "SMIT12518","TCMID_id": "NA","TCMSP_id": "MOL011647","TCM_ID_id": "NA","PubChem_id": "31258","DrugBank_id": "NA"}
(2s,3r)-3-aminopyrrolidine-2-carboxylic acid
C5H10N2O2 (130.07422400000002)