Exact Mass: 148.0708
Exact Mass Matches: 148.0708
Found 500 metabolites which its exact mass value is equals to given mass value 148.0708,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mevalonic acid
Mevalonic acid, also known as MVA, mevalonate, or hiochic acid, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Mevalonic acid is a key organic compound in biochemistry. It is found in most higher organisms ranging from plants to animals. Mevalonic acid is a precursor in the biosynthetic pathway known as the mevalonate pathway that produces terpenes (in plants) and steroids (in animals). Mevalonic acid is the primary precursor of isopentenyl pyrophosphate (IPP), that is in turn the basis for all terpenoids. The production of mevalonic acid by the enzyme 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA) reductase, is the rate-limiting step in the biosynthesis of cholesterol (PMID: 12872277). The cholesterol biosynthetic pathway has three major steps: (1) acetate to mevalonate, (2) mevalonate to squalene, and (3) squalene to cholesterol. In the first step, which catalyzed by thiolase, two acetyl-CoA molecules form acetoacetyl-CoA and one CoA molecule is released, then the acetoacetyl-CoA reacts with another molecule of acetyl-CoA and generates 3-hydroxy-3-methylglutaryl-CoA (HMGCoA). The enzyme responsible for this reaction is 3-hydroxy-3-methylglutaryl-CoA synthase (HMG-CoA synthase): In the pathway to synthesize cholesterol, one of the HMG-CoA carboxyl groups undergoes reduction to an alcohol, releasing CoA, leading to the formation of mevalonate, a six carbon compound. This reaction is catalyzed by hydroxy-methylglutaryl-CoA reductase, In the second step (mevalonate to squalene) mevalonate receives a phosphoryl group from ATP to form 5-phosphomevalonate. This compound accepts another phosphate to generate mevalonate-5-pyrophosphate. After a third phosphorylation, the compound is decarboxylated, loses water, and generates isopentenyl pyrophosphate (IPP). Then through successive condensations, IPP forms squalene, a terpene hydrocarbon that contains 30 carbon atoms. By cyclization and other changes, this compound will finally result in cholesterol. Mevalonic acid is found, on average, in the highest concentration within a few different foods, such as apples, corns, and wild carrots and in a lower concentration in garden tomato (var.), pepper (C. frutescens), and cucumbers. Mevalonic acid has also been detected, but not quantified in, several different foods, such as sweet oranges, potato, milk (cow), cabbages, and white cabbages. This could make mevalonic acid a potential biomarker for the consumption of these foods. Plasma concentrations and urinary excretion of MVA are decreased by HMG-CoA reductase inhibitor drugs such as pravastatin, simvastatin, and atorvastatin (PMID: 8808497). Mevalonic acid (MVA) is a key organic compound in biochemistry. The anion of mevalonic acid, the predominant form in biological media, is known as mevalonate. This compound is of major pharmaceutical importance. Drugs, such as the statins, stop the production of mevalonate by inhibiting HMG-CoA reductase. [Wikipedia]. Mevalonic acid is found in many foods, some of which are pepper (c. frutescens), cabbage, wild carrot, and white cabbage.
Pantoate
Pantoic acid (along with beta-alanine) is used to synthesize pantothenic acid (vitamin B5) in most microorganisms and plants. Pantothenic acid is a structural component of coenzyme A (CoA) which is involved in essential biological processes such as the citric acid cycle (TCA cycle) and the synthesis of carbohydrates, proteins, and fat. Pantothenic acid is found widespread in foods but especially in egg yolk, offal, fish, whole-grains, legumes, mushrooms, avocados, broccoli, and royal jelly (from bees).
2,3-dihydroxy-3-methylvalerate
2,3-dihydroxy-3-methylvalerate is a member of the class of compounds known as hydroxy fatty acids. Hydroxy fatty acids are fatty acids in which the chain bears a hydroxyl group. Thus, 2,3-dihydroxy-3-methylvalerate is considered to be a fatty acid lipid molecule. 2,3-dihydroxy-3-methylvalerate is soluble (in water) and a weakly acidic compound (based on its pKa). 2,3-dihydroxy-3-methylvalerate can be found in a number of food items such as jostaberry, spelt, roman camomile, and common pea, which makes 2,3-dihydroxy-3-methylvalerate a potential biomarker for the consumption of these food products.
6-hydroxyornithine
D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors
(R)-2,3-Dihydroxy-3-methylvalerate
(R) 2,3-Dihydroxy-methylvalerate is an intermediate in valine, leucine and isoleucine biosynthesis. The pathway of valine biosynthesis is a four-step pathway that shares all of its steps with the parallel pathway of isoleucine biosynthesis. These entwined pathways are part of the superpathway of leucine, valine, and isoleucine biosynthesis, that generates not only isoleucine and valine, but also leucine. (R) 2,3-Dihydroxy-methylvalerate is generated from 3-Hydroxy-3-methyl-2-oxopentanoic acid via the enzyme ketol-acid reductoisomerase (EC 1.1.1.86) then it is converted to (S)-3-methyl-2-oxopentanoic via the dihydroxy-acid dehydratase (EC:4.2.1.9). [HMDB] (R)-2,3-Dihydroxy-methylvalerate is an intermediate in valine, leucine, and isoleucine biosynthesis. The pathway of valine biosynthesis is a four-step pathway that shares all of its steps with the parallel pathway of isoleucine biosynthesis. These entwined pathways are part of the superpathway of leucine, valine, and isoleucine biosynthesis, which generates not only isoleucine and valine but also leucine. (R)-2,3-Dihydroxy-methylvalerate is generated from 3-hydroxy-3-methyl-2-oxopentanoic acid via the enzyme ketol-acid reductoisomerase (EC 1.1.1.86). It is converted into (S)-3-methyl-2-oxopentanoic via the dihydroxy-acid dehydratase (EC 4.2.1.9).
Mevalonic acid
A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position.
3-(2-Methoxyethoxy)propanoic acid
A monocarboxylic acid that is propanoic acid substituted at C-3 by a 2-methoxyethoxy group.
3-(Methylthio)propyl acetate
3-(Methylthio)propyl acetate is found in alcoholic beverages. 3-(Methylthio)propyl acetate is found in apple, melon, pineapple, beer, whisky and wine. 3-(Methylthio)propyl acetate is a flavouring agent Found in apple, melon, pineapple, beer, whisky and wine. Flavouring agent
Ethyl 3-(methylthio)propanoate
Isolated from pineapple (Ananas comosus), melon, passion fruit and other fruitsand is) also present in alcoholic beverages and Parmesan cheese. Flavouring ingredient. Ethyl 3-(methylthio)propanoate is found in many foods, some of which are milk and milk products, pineapple, fruits, and alcoholic beverages. Ethyl 3-(methylthio)propanoate is found in alcoholic beverages. Ethyl 3-(methylthio)propanoate is isolated from pineapple (Ananas comosus), melon, passion fruit and other fruits. Also present in alcoholic beverages and Parmesan cheese. Ethyl 3-(methylthio)propanoate is a flavouring ingredient.
4-Phenyl-3-buten-2-ol
(±)-(Z)-4-Phenyl-3-buten-2-ol is a flavouring ingredien It is used as a food additive .
Glycerol 1-propanoate
Glycerol 1-propanoate is classified as a Natural Food Constituent (code WA) in the DF
Duryl aldehyde
Duryl aldehyde is found in herbs and spices. Duryl aldehyde is a constituent of Eryngium foetidum (culantro) and Foeniculum vulgare (fennel)
3,4,5-Trimethylbenzaldehyde
3,4,5-Trimethylbenzaldehyde is found in alcoholic beverages. 3,4,5-Trimethylbenzaldehyde is a constituent of hop oil (Humulus lupulus)
2',4'-Dimethylacetophenone
2,4-Dimethylacetophenone is found in tea. 2,4-Dimethylacetophenone is a flavouring ingredien Flavouring ingredient. 2,4-Dimethylacetophenone is found in tea. 2',4'-Dimethylacetophenone is an endogenous metabolite. 2',4'-Dimethylacetophenone is an endogenous metabolite.
Ethyl 3-mercaptobutyrate
Ethyl 3-mercaptobutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Methyl 3-(methylthio)butanoate
Methyl 3-(methylthio)butanoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Propyl 2-mercaptopropionate
Propyl 2-mercaptopropionate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-(4-Methylphenyl)propanal
Occurs in parsley oil. 2-(4-Methylphenyl)propanal is found in herbs and spices. (±)-2-(4-Methylphenyl)propanal is used in caraway food flavouring.
3-Mercapto-3-methylbutyl formate
3-Mercapto-3-methylbutyl formate is found in coffee and coffee products. 3-Mercapto-3-methylbutyl formate is present in coffee volatiles. 3-Mercapto-3-methylbutyl formate is a flavouring agent Present in coffee volatiles. Flavouring agent. 3-Mercapto-3-methylbutyl formate is found in coffee and coffee products.
Methyl 4-(methylthio)butyrate
Methyl 4-(methylthio)butyrate is a flavouring ingredient. Flavouring ingredient
Methylthiomethyl butyrate
Methylthiomethyl butyrate is a flavouring agent especially for seasonings. Flavouring agent especies for seasonings
2,4,6-Trimethyl-1,3,5-dioxathiane
2,4,6-Trimethyl-1,3,5-dioxathiane is a component of an onion-like flavouring. Component of an onion-like flavouring
Methyl 2-(methylthio)butyrate
Methyl 2-(methylthio)butyrate is found in milk and milk products. Methyl 2-(methylthio)butyrate is a flavouring ingredient. Methyl 2-(methylthio)butyrate is present in cheese. Methyl 2-(methylthio)butyrate is a flavouring ingredient. It is found in milk and milk products.
(2-Methoxyethoxy)propanoic acid
(2-Methoxyethoxy)propanoic acid is a monocarboxylic acid that is propanoic acid substituted at C-2 by a 2-methoxyethoxy group.
p-Ethylacetophenone
P-ethylacetophenone, also known as 1-(4-ethylphenyl)ethanone, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. P-ethylacetophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). P-ethylacetophenone can be found in tea, which makes P-ethylacetophenone a potential biomarker for the consumption of this food product. P-ethylacetophenone exists in all eukaryotes, ranging from yeast to humans. p-Ethylacetophenone belongs to the family of Acetophenones. These are organic compounds containing the acetophenone structure
4,5-dihydroxyhexanoic acid
4,5-dihydroxyhexanoic acid or DHHA is a water-soluble organic acid. It probably arises from the reaction of succinic semialdehyde with an intermediate in the pyruvate dehydrogenase pathway. DHHA is found in the urine and appears to be a marker for Succinic semialdehyde dehydrogenase (SSADH) deficiency (PMID: 3126356 ). SSADH is a disorder that arises from a defect in gamma-aminobutyric acid catabolism, resulting in the accumulation of gamma-hydroxybutyric acid (GHB), 2,4-dihydroxybutyric acid, adipic acid as well as elevated levels of 4,5-dihydroxyhexanoic acid, and 4,5-dihydroxyhexanoic acid lactone. SSADH causes neurological and cognitive disorders of varying severity (PMID: 3126356 ). Children with SSADH deficiency usually manifest with developmental delay, behavioral symptoms, language dysfunction, seizures, hypotonia, extrapyramidal symptoms, and ataxia (PMID: 32055132).
Butyrophenone
Butyrophenone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Butyrophenone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Butyrophenone has a cherry taste. Examples of butyrophenones include: Haloperidol, the most widely used classical antipsychotic drug in this class Benperidol, the most potent commonly used antipsychotic ( 200 times more potent than chlorpromazine) . C78272 - Agent Affecting Nervous System > C323 - Butyrophenone
(2R,3R,4R,5S)-2-Methyl-tetrahydro-pyran-3,4,5-triol
3,6-Dimethylcoumaran
3,6-dimethylcoumaran is a member of the class of compounds known as coumarans. Coumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. 3,6-dimethylcoumaran is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,6-dimethylcoumaran can be found in dill, which makes 3,6-dimethylcoumaran a potential biomarker for the consumption of this food product.
Benzyl ethyl ketone
Benzyl ethyl ketone, also known as 1-phenyl-2-butanone, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzyl ethyl ketone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Benzyl ethyl ketone can be found in tea, which makes benzyl ethyl ketone a potential biomarker for the consumption of this food product.
(+/-)-3-Mercapto-1-butyl acetate
It is used as a food additive .
trans-Anethol
Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Foeniculum vulgare, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3]. Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Foeniculum vulgare, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3].
1-Phenylbutan-1-one
C78272 - Agent Affecting Nervous System > C323 - Butyrophenone
all-trans-Decatrien-(2,6,8)-in-(4)-ol|all-trans-Decatrien-(2,6,8)-in-(4)-ol-(1)|deca-2t,6t,8t-trien-4-yn-1-ol|Decatrien-(2.6.8)-in-(4)-ol-(1)
2,6-Decadien-4-ynal,8CI-(2E,6E)-form|deca-2t,6t-dien-4-ynal|Decadien-(2t,6t)-in (4)-al-(1)|Decadien-(2t,6t)-in-(4)-al-(1)
Deoxy-erythro-pentose,9CI,8CI-beta-D-Pyranose-form-Me glycoside
(2Z)-3,7-dimethylocta-2,6-dien-4-ynal|Taxifolial D
Anethole
Anethole appears as white crystals or a liquid. Odor of anise oil and a sweet taste. (NTP, 1992) Anethole is a monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4. It has a role as a plant metabolite. Anethole is a natural product found in Erucaria microcarpa, Anemopsis californica, and other organisms with data available. Anethole is a metabolite found in or produced by Saccharomyces cerevisiae. A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4. D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents Anethole is a type of aromatic compound used as a flavoring. It is a derivative of Phenylpropene and widely exists in nature. Anethole is a type of aromatic compound used as a flavoring. It is a derivative of Phenylpropene and widely exists in nature. Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Foeniculum vulgare, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3]. Trans-Anethole ((E)-Anethole), a phenylpropene derivative isolated from Foeniculum vulgare, shows estrogenic activity at lower concentrations and cytotoxic at higher concentrations in cancer cell lines[1][2]. Trans-Anethole ((E)-Anethole) contributes a large component of the odor and flavor of anise and fennel, anise myrtle, liquorice, camphor, magnolia blossoms, and star anise[3].
1-Methoxy-4-(2-propenyl)benzene
1-Methoxy-4-(2-propenyl)benzene, also known as methylchavicol or estragol, belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 1-Methoxy-4-(2-propenyl)benzene is a sweet, alcohol, and anise tasting compound. 1-Methoxy-4-(2-propenyl)benzene is found, on average, in the highest concentration within a few different foods, such as anises, fennels, and sweet basils and in a lower concentration in cumins, tarragons, and parsley. 1-Methoxy-4-(2-propenyl)benzene has also been detected, but not quantified, in several different foods, such as citrus, chinese cinnamons, caraway, fats and oils, and cloves. This could make 1-methoxy-4-(2-propenyl)benzene a potential biomarker for the consumption of these foods. 1-Methoxy-4-(2-propenyl)benzene, with regard to humans, has been linked to the inborn metabolic disorder celiac disease. Estragole is a colorless liquid with odor of anise. Insoluble in water. Isolated from rind of persea gratissima grath. and from oil of estragon. Found in oils of Russian anise, basil, fennel turpentine, tarragon oil, anise bark oil. (NTP, 1992) Estragole is a phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. It has a role as a flavouring agent, an insect attractant, a plant metabolite, a genotoxin and a carcinogenic agent. It is an alkenylbenzene, a monomethoxybenzene and a phenylpropanoid. It is functionally related to a chavicol. Estragole is a natural product found in Vitis rotundifolia, Chaerophyllum macrospermum, and other organisms with data available. See also: Anise Oil (part of). Constituent of many essential oils. Found in apple, bilberry and orange fruits and juices. Flavouring agent. A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group. Estragole (4-Allylanisole), a relatively nontoxic volatile terpenoid ether, is a major component of the essential oil of many plants. Estragole dose-dependently blocks nerve excitability[1]. Estragole displays anti-toxoplasma activity[2]. Estragole (4-Allylanisole), a relatively nontoxic volatile terpenoid ether, is a major component of the essential oil of many plants. Estragole dose-dependently blocks nerve excitability[1]. Estragole displays anti-toxoplasma activity[2].
Benzylacetone
4-phenylbutan-2-one is a ketone. Benzylacetone is a natural product found in Aquilaria sinensis, Aquilaria malaccensis, and other organisms with data available. Benzylacetone is an aromatic compound from agarwood[1]. Benzylacetone exhibits potent and reversible antityrosinase (mushroom) activity， with IC50s of 2.8 mM and 0.6 mM for monophenolase and diphenolase, respectively[2]. Benzylacetone has appetite-enhancing and locomotor-reducing effects[3]. Benzylacetone is an aromatic compound from agarwood[1]. Benzylacetone exhibits potent and reversible antityrosinase (mushroom) activity， with IC50s of 2.8 mM and 0.6 mM for monophenolase and diphenolase, respectively[2]. Benzylacetone has appetite-enhancing and locomotor-reducing effects[3].
4-Pyridinecarbonitrile, 2-(hydroxymethyl)-6-methyl- (9CI)
1,6-dihydro-6-methyl-7H-Pyrrolo[2,3-c]pyridin-7-one
2,4-Dimethyl-6-oxo-1,6-dihydro-3-pyridinecarbonitrile
1-(4-FLUOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)ETHANONE
6-METHYL-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE
Pyrrole-3-carbonitrile, 5-formyl-2,4-dimethyl- (8CI)
3-Pyridinecarbonitrile, 1,2-dihydro-1,4-dimethyl-2-oxo-
Pyrrolo[1,2-c]pyrimidin-1(2H)-one, 2-methyl- (9CI)
3H-1,2,3-Triazolo[4,5-b]pyridine,3,5-dimethyl-(9CI)
N2-[(Isoquinolin-1-yl)methylene]-1-pyrrolidinecarbothiohydrazide
1H-Imidazole-4-carbonitrile,5-amino-1-(2-propenyl)-(9CI)
(2-Ethoxyethoxy)acetic acid
A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 2-ethoxyethoxy group.
O-(2-Aminoethyl)-L-serine
An L-alpha-amino acid that is L-serine in which the hydroxy group at position 3 is converted to the corresponding 2-aminoethyl ether. An antimetabolic antibiotic obtained from Streptomyces reseoviridofuscus.
N,N-dihydroxy-L-valinate
An N,N-dihydroxy-alpha-amino-acid anion resulting from removal of a proton from the carboxylic acid group of N,N-dihydroxy-L-valine.
N(5)-Hydroxy-L-ornithine
A member of the class of hydroxylamines that is L-ornithine in which one of the N(5)-amino hydrogens is replaced by a hydroxy group. D004791 - Enzyme Inhibitors > D065108 - Ornithine Decarboxylase Inhibitors
N(5)-hydroxy-L-ornithine zwitterion
An amino acid zwitterion obtained from N(5)-hydroxy-L-ornithine by transfer of a proton from the alpha-carboxy group to the amino group.
Ethyl 3-methylthiopropionate
A carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with ethanol.
3-methylthiopropyl acetate
An acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid.
2-(2-methoxyethoxy)propanoic acid
A monocarboxylic acid that is propanoic acid substituted at C-2 by a 2-methoxyethoxy group.
