Exact Mass: 88.0346688

Exact Mass Matches: 88.0346688

Found 186 metabolites which its exact mass value is equals to given mass value 88.0346688, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Isobutyric acid

Isobutyric acid, sodium salt, 14C-labeled

C4H8O2 (88.0524268)


Isobutyric acid is a carboxylic or short chain fatty acid with characteristic sweat-like smell. Small amount of isobutyrate is generated via microbial (gut) metabolism. Small amounts may also be found in certain foods or fermented beverages. There is anosmia (genetic inability to smell) for the odor of isobutyric acid with a frequency of about 2.5\\%. (OMIM 207000). Isobutyric acid is slightly soluble in water but much more soluble in ethanol, ether and organic solvents. Isobutyric acid can affect people if breathed in and may be absorbed through the skin. Contact can irritate and burn the skin and eyes. Breathing Isobutyric acid can irritate the nose, throat and lungs causing coughing, wheezing and/or shortness of breath. Present in apple, morello cherry, guava fruit, wine grapes, pineapple, crispbread, other breads, cheeses, wines, scallop and several essential oils, e.g. Roman chamomile. Acid and simple esters used as flavouring agents KEIO_ID I012

   

Pyruvic acid

alpha-Ketopropanoic acid

C3H4O3 (88.0160434)


Pyruvic acid, also known as 2-oxopropanoic acid or alpha-ketopropionic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Thus, pyruvic acid is considered to be a fatty acid lipid molecule. Pyruvic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Pyruvic acid can be synthesized from propionic acid. Pyruvic acid is also a parent compound for other transformation products, including but not limited to, 4-hydroxy-3-iodophenylpyruvate, 3-acylpyruvic acid, and methyl pyruvate. Pyruvic acid can be found in a number of food items such as kumquat, groundcherry, coconut, and prunus (cherry, plum), which makes pyruvic acid a potential biomarker for the consumption of these food products. Pyruvic acid can be found primarily in most biofluids, including sweat, blood, urine, and feces, as well as throughout most human tissues. Pyruvic acid exists in all living species, ranging from bacteria to humans. In humans, pyruvic acid is involved in several metabolic pathways, some of which include glycogenosis, type IB, glycolysis, urea cycle, and gluconeogenesis. Pyruvic acid is also involved in several metabolic disorders, some of which include non ketotic hyperglycinemia, pyruvate dehydrogenase complex deficiency, fructose-1,6-diphosphatase deficiency, and 4-hydroxybutyric aciduria/succinic semialdehyde dehydrogenase deficiency. Moreover, pyruvic acid is found to be associated with anoxia, schizophrenia, fumarase deficiency, and meningitis. Pyruvic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Pyruvic acid is a drug which is used for nutritional supplementation, also for treating dietary shortage or imbalanc. Pyruvic acid can be made from glucose through glycolysis, converted back to carbohydrates (such as glucose) via gluconeogenesis, or to fatty acids through a reaction with acetyl-CoA. It can also be used to construct the amino acid alanine and can be converted into ethanol or lactic acid via fermentation . Those taking large doses of supplemental pyruvate—usually greater than 5 grams daily—have reported gastrointestinal symptoms, including abdominal discomfort and bloating, gas and diarrhea. One child receiving pyruvate intravenously for restrictive cardiomyopathy died (DrugBank). Pyruvate serves as a biological fuel by being converted to acetyl coenzyme A, which enters the tricarboxylic acid or Krebs cycle where it is metabolized to produce ATP aerobically. Energy can also be obtained anaerobically from pyruvate via its conversion to lactate. Pyruvate injections or perfusions increase contractile function of hearts when metabolizing glucose or fatty acids. This inotropic effect is striking in hearts stunned by ischemia/reperfusion. The inotropic effect of pyruvate requires intracoronary infusion. Among possible mechanisms for this effect are increased generation of ATP and an increase in ATP phosphorylation potential. Another is activation of pyruvate dehydrogenase, promoting its own oxidation by inhibiting pyruvate dehydrogenase kinase. Pyruvate dehydrogenase is inactivated in ischemia myocardium. Yet another is reduction of cytosolic inorganic phosphate concentration. Pyruvate, as an antioxidant, is known to scavenge such reactive oxygen species as hydrogen peroxide and lipid peroxides. Indirectly, supraphysiological levels of pyruvate may increase cellular reduced glutathione (T3DB). Pyruvic acid or pyruvate is a simple alpha-keto acid. It is a three-carbon molecule containing a carboxylic acid group and a ketone functional group. Pyruvate is the simplest alpha-keto acid and according to official nomenclature by IUPAC, it is called alpha-keto propanoic acid. Like other keto acids, pyruvic acid can tautomerize from its ketone form to its enol form, containing a double bond and an alcohol. Pyruvate is found in all living organisms ranging from bacteria to plants to humans. It is intermediate compound in the metabolism of carbohydrates, proteins, and fats. Pyruvate is a key intermediate in several metabolic pathways throughout the cell. In particular, pyruvic acid can be made from glucose through glycolysis, converted back to carbohydrates (such as glucose) via gluconeogenesis, or to fatty acids through a reaction with acetyl-CoA. Pyruvic acid supplies energy to cells through the citric acid cycle (TCA or Krebs cycle) when oxygen is present (aerobic respiration), and alternatively ferments to produce lactate when oxygen is lacking (lactic acid). In glycolysis, phosphoenolpyruvate (PEP) is converted to pyruvate by pyruvate kinase. This reaction is strongly exergonic and irreversible. In gluconeogenesis, it takes two enzymes, pyruvate carboxylase and PEP carboxykinase, to catalyze the reverse transformation of pyruvate to PEP. Pyruvic acid is also a metabolite of Corynebacterium (PMID: 27872963). Pyruvic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=127-17-3 (retrieved 2024-07-01) (CAS RN: 127-17-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats. Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats.

   

N-NITROSOMETHYLETHYLAMINE

N-Nitrosomethylethylamine (NMEA)

C3H8N2O (88.06365980000001)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3449

   

Butyric acid

Butyric acid magnesium salt

C4H8O2 (88.0524268)


Butyric acid is a short-chain fatty acid (SCFA) formed in the mammalian colon by bacterial fermentation of carbohydrates (including dietary fibre). It is a straight-chain alkyl carboxylic acid that appears as an oily, colorless liquid with an unpleasant (rancid butter) odor. The name butyric acid comes from the Greek word for "butter", the substance in which it was first found. Triglycerides of butyric acid constitute 3‚Äì4\\% of butter. When butter goes rancid, butyric acid is liberated from the short-chain triglycerides via hydrolysis. Butyric acid is a widely distributed SCFA and is found in all organisms ranging from bacteria to plants to animals. It is present in animal fat and plant oils, bovine milk, breast milk, butter, parmesan cheese, body odor and vomit. While butyric acid has an unpleasant odor, it does have a pleasant buttery taste. As a result, butyric acid is used as a flavoring agent in food manufacturing. Low-molecular-weight esters of butyric acid, such as methyl butyrate, also have very pleasant aromas or tastes. As a result, several butyrate esters are used as food and perfume additives. Butyrate is naturally produced by fermentation processes performed by obligate anaerobic bacteria found in the mammalian gut. It is a metabolite of several bacterial genera including Anaerostipes, Coprococcus, Eubacterium, Faecalibacterium and Roseburia (PMID: 12324374; PMID: 27446020). Highly-fermentable fiber residues, such as those from resistant starch, oat bran, pectin, and guar can be transformed by colonic bacteria into butyrate. One study found that resistant starch consistently produces more butyrate than other types of dietary fibre (PMID: 14747692). The production of butyrate from fibres in ruminant animals such as cattle is responsible for the butyrate content of milk and butter. Butyrate has a number of important biological functions and binds to several specific receptors. In humans, butyric acid is one of two primary endogenous agonists of human hydroxycarboxylic acid receptor 2 (HCA2), a G protein-coupled receptor. Like other SCFAs, butyrate is also an agonist at the free fatty acid receptors FFAR2 and FFAR3, which function as nutrient sensors that facilitate the homeostatic control of energy balance. Butyrate is essential to host immune homeostasis (PMID: 25875123). Butyrates effects on the immune system are mediated through the inhibition of class I histone deacetylases (specifically, HDAC1, HDAC2, HDAC3, and HDAC8) and activation of its G-protein coupled receptor targets including HCA2, FFAR2 and FFAR3. Among the short-chain fatty acids, butyrate is the most potent promoter of intestinal regulatory T cells in vitro and the only SCFA that is an HCA2 ligand (PMID: 25741338). Butyrate has been shown to be a critical mediator of the colonic inflammatory response. It possesses both preventive and therapeutic potential to counteract inflammation-mediated ulcerative colitis and colorectal cancer. As a short-chain fatty acid, butyrate is metabolized by mitochondria as an energy source through fatty acid metabolism. In particular, it is an important energy source for cells lining the mammalian colon (colonocytes). Without butyrate, colon cells undergo autophagy (i.e., self-digestion) and die. Butyric acid, also known as butyrate or butanoic acid, is a member of the class of compounds known as straight chain fatty acids. Straight chain fatty acids are fatty acids with a straight aliphatic chain. Thus, butyric acid is considered to be a fatty acid lipid molecule. Butyric acid is soluble (in water) and a weakly acidic compound (based on its pKa). Butyric acid can be found in a number of food items such as cinnamon, pepper (c. baccatum), burdock, and mandarin orange (clementine, tangerine), which makes butyric acid a potential biomarker for the consumption of these food products. Butyric acid can be found primarily in most biofluids, including saliva, breast milk, feces, and cerebrospinal fluid (CSF), as well as throughout most human tissues. Butyric acid exists in all eukaryotes, ranging from yeast to humans. In humans, butyric acid is involved in a couple of metabolic pathways, which include butyrate metabolism and fatty acid biosynthesis. Moreover, butyric acid is found to be associated with aIDS. Butyric acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Butyric acid was first observed in impure form in 1814 by the French chemist Michel Eugène Chevreul. By 1818, he had purified it sufficiently to characterize it. However, Chevreul did not publish his early research on butyric acid; instead, he deposited his findings in manuscript form with the secretary of the Academy of Sciences in Paris, France. Henri Braconnot, a French chemist, was also researching the composition of butter and was publishing his findings, and this led to disputes about priority. As early as 1815, Chevreul claimed that he had found the substance responsible for the smell of butter. By 1817, he published some of his findings regarding the properties of butyric acid and named it. However, it was not until 1823 that he presented the properties of butyric acid in detail. The name of butyric acid comes from the Latin word for butter, butyrum (or buturum), the substance in which butyric acid was first found . If the compound has been ingested, rapid gastric lavage should be performed using 5\\% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of -oximes has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB). D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists KEIO_ID B006

   

Acetoin

1-Hydroxyethyl methyl ketone

C4H8O2 (88.0524268)


Acetoin, also known as dimethylketol or 2,3-butanolone, belongs to the class of organic compounds known as acyloins. These are organic compounds containing an alpha hydroxy ketone. Acyloins are formally derived from reductive coupling of carboxylic acyl groups. Thus, acetoin is considered to be an oxygenated hydrocarbon lipid molecule. Acetoin is used as an external energy store by a number of fermentive bacteria. Acetoin, along with diacetyl, is one of the compounds giving butter its characteristic flavor. Acetoin is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Acetoin is used as a food flavoring (in baked goods) and a fragrance. Acetoin is a sweet, buttery, and creamy tasting compound. Outside of the human body, Acetoin has been detected, but not quantified in several different foods, such as cocoa and cocoa products, evergreen blackberries, orange bell peppers, tortilla chips, and pomes. This could make acetoin a potential biomarker for the consumption of these foods. Constituent of beer, wine, fresh or cooked apple, fresh or cooked leak, corn, honey, cocoa, butter, cheeses, roasted coffee and other foodstuffs. Acetoin, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis and ulcerative colitis; acetoin has also been linked to the inborn metabolic disorder celiac disease. Acetoin is a colorless or pale yellow to green yellow liquid with a pleasant, buttery odor. It can be found in apples, butter, yogurt, asparagus, black currants, blackberry, wheat, broccoli, brussels sprouts, cantaloupe. Constituent of beer, wine, fresh or cooked apple, fresh or cooked leak, corn, honey, cocoa, butter, cheeses, roasted coffee and other foodstuffs. Flavouring ingredient. [DFC]

   

Ethyl acetate

Ethyl ester OF acetic acid

C4H8O2 (88.0524268)


Ethyl acetate, also known as 1-acetoxyethane or acetic 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). Ethyl acetate exists in all eukaryotes, ranging from yeast to humans. Ethyl acetate is a sweet, anise, and balsam tasting compound. Ethyl acetate is found, on average, in the highest concentration within a few different foods, such as milk (cow), pineapples, and sweet oranges and in a lower concentration in safflowers. Ethyl acetate has also been detected, but not quantified, in several different foods, such as alcoholic beverages, oxheart cabbages, agaves, chervils, ryes, and peach. It is used in artificial fruit essences. In the field of entomology, ethyl acetate is an effective asphyxiant for use in insect collecting and study. Because it is not hygroscopic, ethyl acetate also keeps the insect soft enough to allow proper mounting suitable for a collection. In a killing jar charged with ethyl acetate, the vapors will kill the collected (usually adult) insect quickly without destroying it. In organic and in natural products chemistry ethyl acetate is often used as a solvent for reactions or extractions. Ethyl acetate is a potentially toxic compound. Ethyl acetate, with regard to humans, has been found to be associated with several diseases such as perillyl alcohol administration for cancer treatment, crohns disease, nonalcoholic fatty liver disease, and pervasive developmental disorder not otherwise specified; ethyl acetate has also been linked to the inborn metabolic disorder celiac disease. Found in cereal crops, radishes, fruit juices, beer, wine, spirits etc. and produced by Anthemis nobilis (Roman chamomile) and Rubus subspecies It is used in artificial fruit essences. It is used as a solvent in the manufacture of modified hop extract and decaffeinated tea or coffeeand is also used for colour and inks used to mark fruit or vegetables

   

Malonic semialdehyde

Malonic semialdehyde sodium salt

C3H4O3 (88.0160434)


Malonic semialdehyde is formed in the alternative pathway of propionate metabolism and in the catabolism of beta-alanine. Studies done on these pathways in cultured cells from a patient with mitochondrial malonyl-CoA decarboxylase deficiency show that malonic semialdehyde is directly converted into acetyl-CoA in man. (PMID: 6418146) [HMDB]. Malonic semialdehyde is found in many foods, some of which are spinach, rocket salad (sspecies), pepper (c. pubescens), and bilberry. Malonic semialdehyde is formed in the alternative pathway of propionate metabolism and in the catabolism of beta-alanine. Studies done on these pathways in cultured cells from a patient with mitochondrial malonyl-CoA decarboxylase deficiency show that malonic semialdehyde is directly converted into acetyl-CoA in man. (PMID: 6418146).

   

3-Hydroxypropenoate

2-Propenoic acid, 3-hydroxy-, (2Z)-

C3H4O3 (88.0160434)


   

Dioxane

Tetrahydro-para-dioxin

C4H8O2 (88.0524268)


   

Dimethylurea

N,N-Dimethyl-urea

C3H8N2O (88.06365980000001)


Dimethylurea (DMU) (IUPAC systematic name: 1,3-Dimethylurea ) is a urea derivative and used as an intermediate in organic synthesis. It is a colorless crystalline powder with little toxicity.

   

Polychloroprene

2-Chloro-1,3-butadiene

C4H5Cl (88.00797600000001)


   
   

Ethylene carbonate

1,3-dioxolan-2-one

C3H4O3 (88.0160434)


   

2-hydroxy-2-methylpropanal

2-hydroxy-2-methylpropionaldehyde

C4H8O2 (88.0524268)


A hydroxyaldehyde that is isobutyraldehyde carrying a single hydroxy substituent at position 2.

   

(R)-Acetoin

3-Hydroxy-2-butanone, Acetylmethylcarbinol

C4H8O2 (88.0524268)


Constituent of butter and produced by many microorganisms [DFC] Acetoin is a colorless or pale yellow to green yellow liquid with a pleasant, buttery odor. Acetoin is used as an external energy store by a number of fermentive bacteria. Acetoin, along with diacetyl, is one of the compounds giving butter its characteristic flavor. Acetoin is used as a food flavoring (in baked goods) and a fragrance. It can be found in apples, butter, yogurt, asparagus, black currants, blackberry, wheat, broccoli, brussels sprouts, cantaloupe. [Wikipedia]. Constituent of butter and produced by many microorganisms [DFC]

   

(S)-Acetoin

(S)-2-Acetoin

C4H8O2 (88.0524268)


   
   

1-Hydroxy-2-butanone

1-Hydroxy-2-butanone

C4H8O2 (88.0524268)


1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1]. 1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1].

   

3-(Methylthio)-1-propene

3-(Methylsulphanyl)prop-1-ene

C4H8S (88.0346688)


3-(Methylthio)-1-propene is found in garden onion. 3-(Methylthio)-1-propene is a constituent of garlic volatiles. It is a potential nutraceutical. It can also be found in Williopsis (PMID: 22370952). Constituent of garlic volatiles. Potential nutriceutical. 3-(Methylthio)-1-propene is found in many foods, some of which are onion-family vegetables, soft-necked garlic, ginger, and garden onion. 3-(Methylthio)-1-propene is an organic sulfide. Allyl methyl sulfide is a natural product found in Allium chinense, Dactylanthus taylorii, and other organisms with data available. Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties[1]. Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties[1].

   

Methyl propionate

Methyl ester OF propanoic acid

C4H8O2 (88.0524268)


Methyl propionate is a flavouring ingredient. It belongs to the family of carboxylic acid esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is attached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group). Flavouring ingredient

   

1-Hydroxy-2-butanone

Ethyl hydroxymethyl ketone

C4H8O2 (88.0524268)


1-Hydroxy-2-butanone is found in coffee and coffee products. 1-Hydroxy-2-butanone is a constituent of coffee and various edible mushrooms. 1-Hydroxy-2-butanone is a flavouring ingredient Constituent of coffee and various edible mushrooms. Flavouring ingredient. 1-Hydroxy-2-butanone is found in mushrooms and coffee and coffee products. 1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1]. 1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1].

   

cis-2,3-Dimethylthiirane

2,3-Dimethyl-(2R,3S)-rel-thiirane

C4H8S (88.0346688)


cis-2,3-Dimethylthiirane is a component of food flavours. Component of food flavours

   

Propyl formate

Propylester kyseliny mravenci

C4H8O2 (88.0524268)


Propyl formate is found in apple. Propyl formate is a flavouring ingredient. Flavouring ingredient. Propyl formate is found in pineapple and apple.

   

Glucosereductone

Propanedial, hydroxy- (9ci)

C3H4O3 (88.0160434)


Glucosereductone is found in alcoholic beverages. Glucosereductone is present in free and conjugated form in botrytised wines. Present in free and conjugated form in botrytised wines. Glucosereductone is found in alcoholic beverages.

   

Isopropyl formate

Formic acid, 1-methylethyl ester

C4H8O2 (88.0524268)


Constituent of coffee, plum brandy, various mushrooms and dwarf quince (Chaenomeles japonica). Isopropyl formate is found in many foods, some of which are fruits, alcoholic beverages, mushrooms, and coffee and coffee products. Isopropyl formate is found in alcoholic beverages. Isopropyl formate is a constituent of coffee, plum brandy, various mushrooms and dwarf quince (Chaenomeles japonica).

   

(1E)-1-(methylthio)prop-1-ene

(1E)-1-(Methylsulphanyl)prop-1-ene

C4H8S (88.0346688)


1-Propene, 1-(methylthio)-, (E)- belongs to the family of Thioethers. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-R (R,R=alkyl,aryl)

   

(Z)-1-(Methylthio)-1-propene

(1Z)-1-(methylsulfanyl)prop-1-ene

C4H8S (88.0346688)


(Z)-1-(Methylthio)-1-propene belongs to the class of organic compounds known as thioethers. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-R (R,R=alkyl,aryl).

   

2-hydroxyacrylic Acid

2-hydroxyprop-2-enoic acid

C3H4O3 (88.0160434)


2-hydroxyacrylic Acid, also known as 2-Hydroxyacrylate, is classified as a member of the Carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. 2-hydroxyacrylic Acid is considered to be soluble (in water) and acidic

   
   

1,3-Dioxane

Trimethylene glycol methylene ether

C4H8O2 (88.0524268)


   

3-Butene-1,2-diol

3,4-Dihydroxy-1-butene

C4H8O2 (88.0524268)


   

Carbon tetrafluoride

Tetrafluorkohlenstoff

CF4 (87.9936128)


   

Chloroprene

2-chlorobuta-1,3-diene

C4H5Cl (88.00797600000001)


   

Ethylurea

N-ethylcarbamimidic acid

C3H8N2O (88.06365980000001)


   

Glyoxime

N-[2-(hydroxyimino)ethylidene]hydroxylamine

C2H4N2O2 (88.0272764)


   

L-alaninamide

2-Aminopropanimidate

C3H8N2O (88.06365980000001)


   
   

tetrahydrothiophene

Tetramethylene sulphide

C4H8S (88.0346688)


Flavouring compound [Flavornet]

   
   

3-Hydroxybutanal

3-Hydroxybutanal

C4H8O2 (88.0524268)


   

4-hydroxyoxetan-2-one

4-hydroxyoxetan-2-one

C3H4O3 (88.0160434)


   

2,3-dihydroxyprop-2-enal

2,3-dihydroxyprop-2-enal

C3H4O3 (88.0160434)


   
   
   

butyric acid

Fatty Acid, Vegetable

C4H8O2 (88.0524268)


A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

   

ISOBUTYRIC ACID

ISOBUTYRIC ACID

C4H8O2 (88.0524268)


A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.

   

acetoin

acetoin

C4H8O2 (88.0524268)


A methyl ketone that is butan-2-one substituted by a hydroxy group at position 3.

   

Butanoic acid

Butanoic acid

C4H8O2 (88.0524268)


   

Pyruvic acid

alpha-keto propionic acid

C3H4O3 (88.0160434)


A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. Pyruvic acid is an intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures (From Stedman, 26th ed.). Biological Source: Intermediate in primary metabolism including fermentation processes. Present in muscle in redox equilibrium with Lactic acid. A common constituent, as a chiral cyclic acetal linked to saccharide residues, of bacterial polysaccharides. Isolated from cane sugar fermentation broth and peppermint. Constituent of Bauhinia purpurea, Cicer arietinum (chickpea), Delonix regia, Pisum sativum (pea) and Trigonella caerulea (sweet trefoil) Use/Importance: Reagent for regeneration of carbonyl compdounds from semicarbazones, phenylhydrazones and oximes. Flavoring ingredient (Dictionary of Organic Compounds); Pyruvate is a key intersection in the network of metabolic pathways. Pyruvate can be converted into carbohydrates via gluconeogenesis, to fatty acids or energy through acetyl-CoA, to the amino acid alanine and to ethanol. Therefore it unites several key metabolic processes.; Pyruvate is an important chemical compound in biochemistry. It is the output of the anaerobic metabolism of glucose known as glycolysis. One molecule of glucose breaks down into two molecules of pyruvate, which are then used to provide further energy, in one of two ways. Pyruvate is converted into acetyl-coenzyme A, which is the main input for a series of reactions known as the Krebs cycle. Pyruvate is also converted to oxaloacetate by an anaplerotic reaction which replenishes Krebs cycle intermediates; alternatively, the oxaloacetate is used for gluconeogenesis. These reactions are named after Hans Adolf Krebs, the biochemist awarded the 1953 Nobel Prize for physiology, jointly with Fritz Lipmann, for research into metabolic processes. The cycle is also called the citric acid cycle, because citric acid is one of the intermediate compounds formed during the reactions.; Pyruvic acid (CH3COCOOH) is an organic acid. It is also a ketone, as well as being the simplest alpha-keto acid. The carboxylate (COOH) ion (anion) of pyruvic acid, CH3COCOO-, is known as pyruvate, and is a key intersection in several metabolic pathways. It can be made from glucose through glycolysis, supplies energy to living cells in the citric acid cycle, and can also be converted to carbohydrates via gluconeogenesis, to fatty acids or energy through acetyl-CoA, to the amino acid alanine and to ethanol.; Pyruvic acid is a colorless liquid with a smell similar to that of acetic acid. It is miscible with water, and soluble in ethanol and diethyl ether. In the laboratory, pyruvic acid may be prepared by heating a mixture of tartaric acid and potassium hydrogen sulfate, by the oxidation of propylene glycol by a strong oxidizer (eg. potassium permanganate or bleach), or by the hydrolysis of acetyl cyanide, formed by reaction of acetyl chloride with potassium cyanide:; Pyruvic acid or pyruvate is a key intermediate in the glycolytic and pyruvate dehydrogenase pathways, which are involved in biological energy production. Pyruvate is widely found in living organisms. It is not an essential nutrient since it can be synthesized in the cells of the body. Certain fruits and vegetables are rich in pyruvate. For example, an average-size red apple contains approximately 450 milligrams. Dark beer and red wine are also rich sources of pyruvate. Recent research suggests that pyruvate in high concentrations may have a role in cardiovascular therapy, as an inotropic agent. Supplements of this dietary substance may also have bariatric and ergogenic applications. Pyruvic acid is isolated from cane sugar fermentation broth, Cicer arietinum (chickpea), Pisum sativum (pea), Trigonella cerulea (sweet trefoil) and peppermint. It can be used as a flavouring ingredient. Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats. Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats.

   

2-Methylpropanoate

2-Methylpropanoate

C4H8O2 (88.0524268)


   
   

Methyl propylate

Methyl ester OF propanoic acid

C4H8O2 (88.0524268)


   

2-Oxobutanol

Ethyl hydroxymethyl ketone

C4H8O2 (88.0524268)


1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1]. 1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1].

   

CH3SCH2CH=CH2

3-(Methylsulfanyl)-1-propene

C4H8S (88.0346688)


Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties[1]. Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties[1].

   

cis-Dimethylthiirane

2,3-Dimethyl-(2R,3S)-rel-thiirane

C4H8S (88.0346688)


   

propyl formate

Propyl formates [UN1281] [Flammable liquid]

C4H8O2 (88.0524268)


   

Tartronal

Propanedial, hydroxy- (9ci)

C3H4O3 (88.0160434)


   

Isopropyl formate

Formic acid, 1-methylethyl ester

C4H8O2 (88.0524268)


   

3R-Hydroxybutan-2-one

3R-Hydroxybutan-2-one

C4H8O2 (88.0524268)


   

FA 4:0

2-methyl-propanoic acid

C4H8O2 (88.0524268)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

   

SFE 4:0

Methyl propanoate

C4H8O2 (88.0524268)


   

3-Hydroxybutan-2-one

3-Hydroxybutan-2-one

C4H8O2 (88.0524268)


   
   

2-Oxopropanoic acid

2-Oxopropanoic acid

C3H4O3 (88.0160434)


   
   

2-(Vinyloxy)ethanol

2-(Vinyloxy)ethanol

C4H8O2 (88.0524268)


   

1,3-Dioxolane,2-methyl-

1,3-Dioxolane,2-methyl-

C4H8O2 (88.0524268)


   

3-Methyloxetan-3-ol

3-Methyloxetan-3-ol

C4H8O2 (88.0524268)


   

ETHYL ACETATE-13C2

ETHYL ACETATE-13C2

C4H8O2 (88.0524268)


   

(R)-3-AMINOTETRAHYDROFURAN

(R)-3-AMINOTETRAHYDROFURAN

C4H8O2 (88.0524268)


   

Fluoboric Acid

Tetrafluoroboric acid

BF4H (88.0107424)


   

4-Hydroxy-2-butanone

4-Hydroxy-2-butanone

C4H8O2 (88.0524268)


   

Thietan-3-one

Thietan-3-one

C3H4OS (87.9982854)


   

deuterio 2,2,3,3,4,4,4-heptadeuteriobutanoate

deuterio 2,2,3,3,4,4,4-heptadeuteriobutanoate

C4H8O2 (88.0524268)


   
   

(S)-3-Butene-1,2-diol

(S)-3-Butene-1,2-diol

C4H8O2 (88.0524268)


   

(2S)-2-(Methoxymethyl)oxirane

(2S)-2-(Methoxymethyl)oxirane

C4H8O2 (88.0524268)


   

3-Methoxy-propionaldehyde

3-Methoxy-propionaldehyde

C4H8O2 (88.0524268)


   

Ethyl acetate-1-13C

Ethyl acetate-1-13C

C4H8O2 (88.0524268)


   

Diethylsilane

Diethylsilane

C4H12Si (88.0708232)


   

Tetramethylsilane

Tetramethylsilane

C4H12Si (88.0708232)


   

1-[(2,2,3,3-2H4)Cyclopropyl]ethanone

1-[(2,2,3,3-2H4)Cyclopropyl]ethanone

C5H4D4O (88.082620512)


   

(3,3,4,4-2H4)Cyclopentanone

(3,3,4,4-2H4)Cyclopentanone

C5H4D4O (88.082620512)


   

Propylboronic acid

Propylboronic acid

C3H9BO2 (88.0695564)


   

2,2-Dimethylthiirane

2,2-Dimethylthiirane

C4H8S (88.0346688)


   

Isopropylboronic acid

Isopropylboronic acid

C3H9BO2 (88.0695564)


   
   

Formylurea

Urea, N-formyl-

C2H4N2O2 (88.0272764)


   

2-Methyl-2,3-epoxy-1-propanol

2-Methyl-2,3-epoxy-1-propanol

C4H8O2 (88.0524268)


   

dimethylethylsilane

dimethylethylsilane

C4H12Si (88.0708232)


   
   
   
   

2-Hydroxytetrahydrofuran

2-Hydroxytetrahydrofuran

C4H8O2 (88.0524268)


   

1,3-DIOXANE

1,3-DIOXANE

C4H8O2 (88.0524268)


   
   

Nitrosoguanidine

1-Nitrosoguanidine

CH4N4O (88.03850940000001)


D009676 - Noxae > D009153 - Mutagens > D009604 - Nitrosoguanidines

   

Formyl acetate

Formyl acetate

C3H4O3 (88.0160434)


   

1,2-Diformylhydrazine

1,2-Diformylhydrazine

C2H4N2O2 (88.0272764)


   

(2R)-2-(Methoxymethyl)oxirane

(2R)-2-(Methoxymethyl)oxirane

C4H8O2 (88.0524268)


   

cis-2-Butene-1,4-Diol

(2Z)-2-Butene-1,4-diol

C4H8O2 (88.0524268)


   

Glycidyl Methyl Ether

Glycidyl Methyl Ether

C4H8O2 (88.0524268)


   
   

2-Methylene-1,3-propanediol

2-Methylene-1,3-propanediol

C4H8O2 (88.0524268)


   

2-Oxetanylmethanol

2-Oxetanylmethanol

C4H8O2 (88.0524268)


   

3-Hydroxytetrahydrofuran

3-Hydroxytetrahydrofuran

C4H8O2 (88.0524268)


   

Oxiranemethanal, 2-methyl-

Oxiranemethanal, 2-methyl-

C4H8O2 (88.0524268)


   

1-(hydroxymethyl)cyclopropan-1-ol

1-(hydroxymethyl)cyclopropan-1-ol

C4H8O2 (88.0524268)


   

3-Methoxyoxetane

3-Methoxyoxetane

C4H8O2 (88.0524268)


   
   

butanoic acid-13C2

butanoic acid-13C2

C4H8O2 (88.0524268)


   

2-Oxiranemethanol,3-methyl-

2-Oxiranemethanol,3-methyl-

C4H8O2 (88.0524268)


   

epoxypropionic acid

epoxypropionic acid

C3H4O3 (88.0160434)


   

(Z)-2,3-dihydroxyprop-2-enal

(Z)-2,3-dihydroxyprop-2-enal

C3H4O3 (88.0160434)


   

Methoxyacetone

1-Methoxyacetone

C4H8O2 (88.0524268)


   

ethyl acetate, [1-14c]

ethyl acetate, [1-14c]

C4H8O2 (88.0524268)


   

ethyl acetate-2-13C

ethyl acetate-2-13C

C4H8O2 (88.0524268)


   

(3S)-Tetrahydro-3-furanol

(3S)-Tetrahydro-3-furanol

C4H8O2 (88.0524268)


   

2-BUTENE-1,4-DIOL

2-BUTENE-1,4-DIOL

C4H8O2 (88.0524268)


   

Fluorocyclopentane

Fluorocyclopentane

C5H9F (88.0688246)


   

ethylmagnesium chloride

ethylmagnesium chloride

C2H5ClMg (87.993026)


   

Methyl glyoxylate

Methyl glyoxylate

C3H4O3 (88.0160434)


   
   

Aldol

3-Butanolal

C4H8O2 (88.0524268)


   

1,1-Dimethoxyethylene

1,1-Dimethoxyethylene

C4H8O2 (88.0524268)


   

EthanediaMide iMpurity F hcl

EthanediaMide iMpurity F hcl

C2H4N2O2 (88.0272764)


   

3-Oxetanylmethanol

3-Oxetanylmethanol

C4H8O2 (88.0524268)


   

(2,2,5,5-2H4)Cyclopentanone

(2,2,5,5-2H4)Cyclopentanone

C5H4D4O (88.082620512)


   

Ethene, (ethylthio)-(9Cl)

Ethene, (ethylthio)-(9Cl)

C4H8S (88.0346688)


   

2-Methylpropanoic acid

2-Methylpropanoic acid

C4H8O2 (88.0524268)


   
   

1,3-Dioxolane,4-methyl-

1,3-Dioxolane,4-methyl-

C4H8O2 (88.0524268)


   

(S)-(+)-3-Hydroxytetrahydrofuran

(S)-(+)-3-Hydroxytetrahydrofuran

C4H8O2 (88.0524268)


   

(2H4)Thiophene

(2H4)Thiophene

C4D4S (88.028479112)


   
   

1,3,2-Dioxaborolan-2-OL

1,3,2-Dioxaborolan-2-OL

C2H5BO3 (88.033173)


   

4-Hydroxybutanal

4-Hydroxybutanal

C4H8O2 (88.0524268)


   

1-Propene, 1-(methylthio)-, (E)-

1-Propene, 1-(methylthio)-, (E)-

C4H8S (88.0346688)


   

glyoxime

Glyoxal dioxime

C2H4N2O2 (88.0272764)


   

1-Propene, 1-(methylthio)-, (Z)-

1-Propene, 1-(methylthio)-, (Z)-

C4H8S (88.0346688)


   

1,2-Dioxane

1,2-Dioxane

C4H8O2 (88.0524268)


   

Phospholane

Phospholane

C4H9P (88.0441844)


   

Hydroxypyruvaldehyde

Hydroxypyruvaldehyde

C3H4O3 (88.0160434)


   

Pyruvic-13C3 acid

Pyruvic-13C3 acid

C3H4O3 (88.0160434)


   

Butane-2-thione

Butane-2-thione

C4H8S (88.0346688)


   
   

beta-Alaninate

beta-Alaninate

C3H6NO2- (88.03985159999999)


A beta-amino-acid anion that is the conjugate base of beta-alanine.

   

Acetidin

Ethyl acetate [UN1173] [Flammable liquid]

C4H8O2 (88.0524268)


   

AI3-10621

Methyl propionate [UN1248] [Flammable liquid]

C4H8O2 (88.0524268)


   

5077-67-8

Ethyl hydroxymethyl ketone

C4H8O2 (88.0524268)


1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1]. 1-Hydroxy-2-butanone is a natural compound isolated from Bomboo Juice with antitubercular activity[1].

   

AI3-11747

InChI=1\C4H8O2\c1-4(6)2-3-5\h5H,2-3H2,1H

C4H8O2 (88.0524268)


   

AI3-15407

4-02-00-00027 (Beilstein Handbook Reference)

C4H8O2 (88.0524268)


   

LS-2371

4-03-00-01505 (Beilstein Handbook Reference)

C3H4O3 (88.0160434)


Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats. Pyruvic acid is an intermediate metabolite in the metabolism of carbohydrates, proteins, and fats.

   

AI3-24243

Propyl formates [UN1281] [Flammable liquid]

C4H8O2 (88.0524268)


   

10152-76-8

1-Propene, 3-(methylthio)-

C4H8S (88.0346688)


Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties[1]. Allyl methyl sulfide is a bioactive organosulfur compound found in garlic. Allyl methyl sulfide exhibits antibacterial, antioxidant and anticancer properties[1].

   

LS-443

InChI=1\C4H8O2\c1-2-3-4(5)6\h2-3H2,1H3,(H,5,6

C4H8O2 (88.0524268)


D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists

   

Isobutyrate

Isobutyric acid [UN2529] [Flammable liquid]

C4H8O2 (88.0524268)


   

tetrahydrothiophene

tetrahydrothiophene

C4H8S (88.0346688)


   

Oxamate

Oxamate

C2H2NO3- (88.0034682)


A monocarboxylic acid anion arising from deprotonation of the carboxy group of oxamic acid.

   

4-Ammoniobutanal

4-Ammoniobutanal

C4H10NO+ (88.07623500000001)


An ammonium ion that is the conjugate acid of 4-aminobutanal; major species at pH 7.3.

   
   

Ethylacetimidate

Ethylacetimidate

C4H10NO+ (88.07623500000001)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007096 - Imidoesters

   
   

L-alaninate

L-alaninate

C3H6NO2- (88.03985159999999)


The L-enantiomer of alaninate.

   

Sarcosinate

Sarcosinate

C3H6NO2- (88.03985159999999)


An alpha-amino-acid anion that is the conjugate base of sarcosine, arising from deprotonation of the carboxy group.

   

Alaninate

Alaninate

C3H6NO2- (88.03985159999999)


An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group.

   

D-alaninate

D-alaninate

C3H6NO2- (88.03985159999999)


The D-enantiomer of alaninate.

   

ETHYL ACETATE

ETHYL ACETATE

C4H8O2 (88.0524268)


The acetate ester formed between acetic acid and ethanol.

   

Ethylene carbonate

Ethylene carbonate

C3H4O3 (88.0160434)


   

(R)-Acetoin

(R)-Acetoin

C4H8O2 (88.0524268)


   
   

3-oxopropanoic acid

3-oxopropanoic acid

C3H4O3 (88.0160434)


   

p-Dioxane

1,4-DIOXANE

C4H8O2 (88.0524268)


A dioxane with oxygen atoms at positions 1 and 4.

   

Methyl propanoate

Methyl propanoate

C4H8O2 (88.0524268)


   
   

Carbon tetrafluoride

Carbon tetrafluoride

CF4 (87.9936128)


   

Reductone

Glucic acid

C3H4O3 (88.0160434)


   

2-hydroxyacrylic Acid

2-hydroxyacrylic Acid

C3H4O3 (88.0160434)


An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid substituted by a hydroxy group at position 2.

   

Hydroxyacrylic acid

Hydroxyacrylic acid

C3H4O3 (88.0160434)


   

Hydroxypropenoate

Hydroxypropenoate

C3H4O3 (88.0160434)


   

Hydroxybutanone

Hydroxybutanone

C4H8O2 (88.0524268)


   

Methylthiopropene

Methylthiopropene

C4H8S (88.0346688)


   

3-hydroxybutanone

NA

C4H8O2 (88.0524268)


{"Ingredient_id": "HBIN008703","Ingredient_name": "3-hydroxybutanone","Alias": "NA","Ingredient_formula": "C4H8O2","Ingredient_Smile": "CC(C(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "23333","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(4r)-4-hydroxyoxetan-2-one

(4r)-4-hydroxyoxetan-2-one

C3H4O3 (88.0160434)


   

2-butene-1,4-diol (trans)

2-butene-1,4-diol (trans)

C4H8O2 (88.0524268)


   

hepta-1,2-dien-4,6-diyne

hepta-1,2-dien-4,6-diyne

C7H4 (88.0312984)