Exact Mass: 104.0412

Exact Mass Matches: 104.0412

Found 330 metabolites which its exact mass value is equals to given mass value 104.0412, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

2,3-Diaminopropionic acid

2,3-Diaminopropionic acid, (DL)-isomer, monohydrochloride

C3H8N2O2 (104.0586)


2,3-Diaminopropionic acid, also known as L-2,3-diaminopropanoate or Dpr, belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. 2,3-Diaminopropionic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2,3-Diaminopropionic acid (2,3-diaminopropionate) is a non-proteinogenic amino acid found in certain secondary metabolites, including zwittermicin A and tuberactinomycin.2,3-Diaminopropionate is formed by the pyridoxal phosphate (PLP) mediated amination of serine. 2,3-Diaminopropionic acid exists in all living organisms, ranging from bacteria to humans. 2,3-Diaminopropionic acid is a metabolite of b-oxalyl-L-a,b-diaminopropionic acid a neurotoxic amino acid (ODAP). (PMID 5774501) COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

3-Hydroxybutyric acid

(R)-(-)-beta-Hydroxybutyric acid

C4H8O3 (104.0473)


3-Hydroxybutyric acid (CAS: 300-85-6), also known as beta-hydroxybutanoic acid, is a typical partial-degradation product of branched-chain amino acids (primarily valine) released from muscle for hepatic and renal gluconeogenesis. This acid is metabolized by 3-hydroxybutyrate dehydrogenase (catalyzes the oxidation of 3-hydroxybutyrate to form acetoacetate, using NAD+ as an electron acceptor). The enzyme functions in nervous tissues and muscles, enabling the use of circulating hydroxybutyrate as a fuel. In the liver mitochondrial matrix, the enzyme can also catalyze the reverse reaction, a step in ketogenesis. 3-Hydroxybutyric acid is a chiral compound having two enantiomers, D-3-hydroxybutyric acid and L-3-hydroxybutyric acid, and is a ketone body. Like the other ketone bodies (acetoacetate and acetone), levels of 3-hydroxybutyrate in blood and urine are raised in ketosis. In humans, 3-hydroxybutyrate is synthesized in the liver from acetyl-CoA and can be used as an energy source by the brain when blood glucose is low. Blood levels of 3-hydroxybutyric acid levels may be monitored in diabetic patients to look for diabetic ketoacidosis. Persistent mild hyperketonemia is a common finding in newborns. Ketone bodies serve as an indispensable source of energy for extrahepatic tissues, especially the brain and lung of developing mammals. Another important function of ketone bodies is to provide acetoacetyl-CoA and acetyl-CoA for the synthesis of cholesterol, fatty acids, and complex lipids. During the early postnatal period, acetoacetate (AcAc) and beta-hydroxybutyrate are preferred over glucose as substrates for the synthesis of phospholipids and sphingolipids in accord with requirements for brain growth and myelination. Thus, during the first two weeks of postnatal development, when the accumulation of cholesterol and phospholipids accelerates, the proportion of ketone bodies incorporated into these lipids increases. On the other hand, an increased proportion of ketone bodies is utilized for cerebroside synthesis during the period of active myelination. In the lung, AcAc serves better than glucose as a precursor for the synthesis of lung phospholipids. The synthesized lipids, particularly dipalmitoylphosphatidylcholine, are incorporated into surfactant, and thus have a potential role in supplying adequate surfactant lipids to maintain lung function during the early days of life (PMID: 3884391). 3-Hydroxybutyric acid is found to be associated with fumarase deficiency and medium-chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism. 3-Hydroxybutyric acid is a metabolite of Alcaligenes and can be produced from plastic metabolization or incorporated into polymers, depending on the species (PMID: 7646009, 18615882). (R)-3-Hydroxybutyric acid is a butyric acid substituted with a hydroxyl group in the beta or 3 position. It is involved in the synthesis and degradation of ketone bodies. Like the other ketone bodies (acetoacetate and acetone), levels of beta-hydroxybutyrate are raised in the blood and urine in ketosis. Beta-hydroxybutyrate is a typical partial-degradation product of branched-chain amino acids (primarily valine) released from muscle for hepatic and renal gluconeogenesis This acid is metabolized by 3-hydroxybutyrate dehydrogenase (catalyzes the oxidation of D-3-hydroxybutyrate to form acetoacetate, using NAD+ as an electron acceptor). The enzyme functions in nervous tissues and muscles, enabling the use of circulating hydroxybutyrate as a fuel. In the liver mitochondrial matrix, the enzyme can also catalyze the reverse reaction, a step in ketogenesis. 3-Hydroxybutyric acid is a chiral compound having two enantiomers, D-3-hydroxybutyric acid and L-3-hydroxybutyric acid. In humans, beta-hydroxybutyrate is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low. It can also be used for the synthesis of biodegradable plastics . [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H022 (R)-3-Hydroxybutanoic acid is a metabolite, and converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. (R)-3-Hydroxybutanoic acid has applications as a nutrition source and as a precursor for vitamins, antibiotics and pheromones[1][2]. 3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1]. 3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1].

   

Malonate

Malonic acid, disodium salt, 1-(14)C-labeled

C3H4O4 (104.011)


Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acids ethyl ester. The name originates from Latin malum, meaning apple. Malonic acid is the archetypal example of a competitive inhibitor: it acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain.; Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acids ethyl ester. The name originates from the Greek word ????? (malon) meaning apple. Propanedioic acid is found in many foods, some of which are green bell pepper, red bell pepper, common beet, and sweet orange. Malonic acid (IUPAC systematic name: propanedioic acid) is a dicarboxylic acid with structure CH2(COOH)2. The ionised form of malonic acid, as well as its esters and salts, are known as malonates. For example, diethyl malonate is malonic acids ethyl ester. The name originates from Latin malum, meaning apple. Malonic acid is the archetypal example of a competitive inhibitor: it acts against succinate dehydrogenase (complex II) in the respiratory electron transport chain. Malonic acid is found to be associated with malonyl-CoA decarboxylase deficiency, which is an inborn error of metabolism. Malonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=141-82-2 (retrieved 2024-07-02) (CAS RN: 141-82-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

4-Hydroxybutyric acid

4-Hydroxybutyric acid monosodium salt

C4H8O3 (104.0473)


4-Hydroxybutyric acid (also known as gamma-hydroxybutyrate or GHB) is a precursor and a metabolite of gamma-aminobutyric acid (GABA). GHB acts as a central nervous system (CNS) neuromodulator, mediating its effects through GABA and GHB-specific receptors, or by affecting dopamine transmission (PMID: 16620539). GHB occurs naturally in all mammals, but its function remains unknown. GHB is labeled as an illegal drug in most countries, but it also is used as a legal drug (Xyrem) in patients with narcolepsy. It is used illegally (under the street names juice, liquid ecstasy, or G) as an intoxicant for increasing athletic performance and as a date rape drug. In high doses, GHB inhibits the CNS, inducing sleep and inhibiting the respiratory drive. In lower doses, its euphoriant effect predominates (PMID: 17658710). When present in sufficiently high levels, 4-hydroxybutyric acid can act as an acidogen, a neurotoxin, and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A neurotoxin is a compound that adversely affects neural cells and tissues. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of 4-hydroxybutyric acid are associated with two inborn errors of metabolism: glutaric aciduria II and succinic semialdehyde dehydrogenase deficiency (SSADH). SSADH deficiency leads to a 30-fold increase of GHB and a 2-4 fold increase of GABA in the brains of patients with SSADH deficiency as compared to normal brain concentrations of the compounds. As an acidogen, 4-hydroxybutyric acid is an organic acid, and abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart abnormalities, kidney abnormalities, liver damage, seizures, coma, and possibly death. Many affected children with organic acidemias experience intellectual disability or delayed development. These are also the characteristic symptoms of the untreated IEMs mentioned above. Particularly for SSADH deficiency, the most common features observed include developmental delay, hypotonia, and intellectual disability. Nearly half of patients exhibit ataxia, seizures, behaviour problems, and hyporeflexia. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. As a neurotoxin, GHB appears to affect both GABA (a neurotransmitter) signaling and glutamate signaling (another neurotransmitter). Glutamine metabolism may also play a role in the pathophysiology of excessive levels of GHB. High levels of GHB have been shown to depress both the NMDA and AMPA/kainite receptor-mediated functions and may also alter glutamatergic excitatory synaptic transmission as well. 4-Hydroxybutyric acid is a microbial metabolite found in Aeromonas, Escherichia and Pseudomonas (PMID: 19434404). 4-hydroxybutyric acid may cause bradycardia and dyskinesias.

   

Styrene

1,1-(1H-Pyrrole-2,5-diyl)diethanamine

C8H8 (104.0626)


Styrene, also known as vinylbenzene or phenylethylene, belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. The metabolites of styrene are excreted mainly in the urine. Styrene is possibly neutral. Styrene is a sweet, balsamic, and floral tasting compound. Styrene has been detected, but not quantified, in several different foods, such as coffee and coffee products, fruits, cocoa and cocoa products, alcoholic beverages, and chinese cinnamons. This could make styrene a potential biomarker for the consumption of these foods. A minor pathway of styrene metabolism involves the formation of phenylacetaldehyde from styrene 7,8-oxide or cytochrome P450 conversion of styrene to pheylethanol and subsequent metabolism to phenylacetic acid. Styrene is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound. Styrene oxide is predominantly metabolized by epoxide hydrolase to form styrene glycol; the styrene glycol is subsequently converted to mandelic acid, phenylglyoxylic acid, and hippuric acid. Styrene, with regard to humans, has been found to be associated with several diseases such as nonalcoholic fatty liver disease and ulcerative colitis; styrene has also been linked to the inborn metabolic disorder celiac disease. Styrene may be absorbed following ingestion, inhalation, or dermal exposure. Breathing high levels of styrene may cause nervous system effects such as changes in color vision, tiredness, feeling drunk, slowed reaction time, concentration problems, or balance problems. Chest burning, wheezing, and dyspnea may also occur. Styrene causes nervous system depression and may be carcinogenic. Present in cranberry, bilberry, currants, grapes, vinegar, parsley, milk and dairy products, whisky, cocoa, coffee, tea, roasted filberts and peanuts. Flavouring ingredient. Polymers are used in ion-exchange resins in food processing. Indirect food additive arising from adhesives, oatings and packaging materials

   

alpha-Hydroxyisobutyric acid

alpha-Hydroxy-alpha-methylpropanoic acid

C4H8O3 (104.0473)


Alpha-Hydroxyisobutyric acid is a metabolite of methyl tert-butyl ether (MTBE). MTBE may be obtained through environmental exposure. MTBE is rapidly eliminated from the body, mainly through expired air as the unchanged compound. MTBE is to some extent metabolised to t-butyl alcohol (TBA) and formaldehyde and oxidised to 2-methyl-1,2-propanediol and a-hydroxy isobuturic acid. Alpha-Hydroxyisobutyric acid has been used as an arial bactericide. [HMDB] alpha-Hydroxyisobutyric acid is a metabolite of methyl tert-butyl ether (MTBE). MTBE may be obtained through environmental exposure. MTBE is rapidly eliminated from the body, mainly through expired air as the unchanged compound. MTBE is to some extent metabolized to t-butyl alcohol (TBA) and formaldehyde and oxidized to 2-methyl-1,2-propanediol and alpha-hydroxyisobutyric acid. alpha-Hydroxyisobutyric acid has been used as an aerial bactericide. 2-Hydroxyisobutyric acid is an endogenous metabolite.

   

2-Cyanopyridine

2-Cyanopyridine

C6H4N2 (104.0374)


KEIO_ID C089

   

2-Hydroxybutyric acid

DL-alpha-Hydroxybutyric acid barium salt

C4H8O3 (104.0473)


2-Hydroxybutyric acid (CAS: 600-15-7), also known as alpha-hydroxybutyrate, is an organic acid derived from alpha-ketobutyrate. alpha-Ketobutyrate is produced by amino acid catabolism (threonine and methionine) and glutathione anabolism (cysteine formation pathway) and is metabolized into propionyl-CoA and carbon dioxide (PMID: 20526369). 2-Hydroxybutyric acid is formed as a byproduct from the formation of alpha-ketobutyrate via a reaction catalyzed by lactate dehydrogenase (LDH) or alpha-hydroxybutyrate dehydrogenase (alphaHBDH). alpha-Hydroxybutyric acid is primarily produced in mammalian hepatic tissues that catabolize L-threonine or synthesize glutathione. Oxidative stress or detoxification of xenobiotics in the liver can dramatically increase the rate of hepatic glutathione synthesis. Under such metabolic stress conditions, supplies of L-cysteine for glutathione synthesis become limiting, so homocysteine is diverted from the transmethylation pathway (which forms methionine) into the transsulfuration pathway (which forms cystathionine). alpha-Ketobutyrate is released as a byproduct when cystathionine is cleaved into cysteine that is incorporated into glutathione. Chronic shifts in the rate of glutathione synthesis may be reflected by urinary excretion of 2-hydroxybutyrate. 2-Hydroxybutyrate is an early marker for both insulin resistance and impaired glucose regulation that appears to arise due to increased lipid oxidation and oxidative stress (PMID: 20526369). 2-Hydroxybutyric acid is often found in the urine of patients suffering from lactic acidosis and ketoacidosis. 2-Hydroxybutyric acid generally appears at high concentrations in situations related to deficient energy metabolism (e.g. birth asphyxia) and also in inherited metabolic diseases affecting the central nervous system during neonatal development, such as "cerebral" lactic acidosis, glutaric aciduria type II, dihydrolipoyl dehydrogenase (E3) deficiency, and propionic acidemia. More recently it has been noted that elevated levels of alpha-hydroxybutyrate in the plasma is a good marker for early-stage type II diabetes (PMID: 19166731). It was concluded from studies done in the mid-1970s that an increased NADH2/NAD ratio was the most important factor for the production of 2-hydroxybutyric acid (PMID: 168632). 2-Hydroxybutyric acid is an organic acid that is involved in propanoate metabolism. It is produced in mammalian tissues (principaly hepatic) that catabolize L-threonine or synthesize glutathione. Oxidative stress or detoxification demands can dramatically increase the rate of hepatic glutathione synthesis. Under such metabolic stress conditions, supplies of L-cysteine for glutathione synthesis become limiting, so homocysteine is diverted from the transmethylation pathway forming methionine into the transsulfuration pathway forming cystathionine. 2-Hydroxybutyrate is released as a by-product when cystathionine is cleaved to cysteine that is incorporated into glutathione. 2-Hydroxybutyric acid is often found in the urine of patients suffering from lactic acidosis and ketoacidosis. 2-Hydroxybutyric acid generally appears at high concentrations in situations related to deficient energy metabolism (e.g., birth asphyxia) and also in inherited metabolic diseases affecting the central nervous system during neonatal development, such as "cerebral" lactic acidosis, glutaric aciduria type II, dihydrolipoyl dehydrogenase (E3) deficiency, and propionic acidemia. More recently it has been noted that elevated levels of alpha-hydroxybutyrate in the plasma is a good marker for early stage type II diabetes (PMID: 19166731). It was concluded from studies done in the mid 1970s that an increased NADH2/NAD ratio was the most important factor for the production of 2-hydorxybutyric acid (PMID: 168632) [HMDB] 2-Hydroxybutyric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=565-70-8 (retrieved 2024-07-16) (CAS RN: 600-15-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). (S)-2-Hydroxybutanoic acid is the S-enantiomer of?2-Hydroxybutanoic acid. 2-Hydroxybutanoic acid, a coproduct of protein metabolism, is an insulin resistance (IR) biomarker[1].

   

Hydroxypyruvic acid

2-oxo-3-hydroxy-propanoic acid

C3H4O4 (104.011)


3-hydroxypyruvic acid, also known as beta-hydroxypyruvate or oh-pyr, belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. 3-hydroxypyruvic acid is soluble (in water) and a moderately acidic compound (based on its pKa). 3-hydroxypyruvic acid can be found in a number of food items such as fox grape, black mulberry, elliotts blueberry, and silver linden, which makes 3-hydroxypyruvic acid a potential biomarker for the consumption of these food products. 3-hydroxypyruvic acid can be found primarily in blood and urine. 3-hydroxypyruvic acid exists in all living organisms, ranging from bacteria to humans. In humans, 3-hydroxypyruvic acid is involved in the glycine and serine metabolism. 3-hydroxypyruvic acid is also involved in several metabolic disorders, some of which include dihydropyrimidine dehydrogenase deficiency (DHPD), 3-phosphoglycerate dehydrogenase deficiency, hyperglycinemia, non-ketotic, and non ketotic hyperglycinemia. Hydroxypyruvic acid is a pyruvic acid derivative with the formula C3H4O4 and a neutral charge with an atomic mass of 104.06146 . Hydroxypyruvic acid is an intermediate in the metabolism of Glycine, serine and threonine. It is a substrate for Serine--pyruvate aminotransferase and Glyoxylate reductase/hydroxypyruvate reductase. Hydroxypyruvic acid (β-Hydroxypyruvic acid) is an intermediate in the metabolism of glycine, serine and threonine. Hydroxypyruvic acid is a substrate for serine-pyruvate aminotransferase and glyoxylate reductase/hydroxypyruvate reductase. Hydroxypyruvic acid is involved in the metabolic disorder which is the dimethylglycine dehydrogenase deficiency pathway.

   

Allophanic acid

Urea-1-carboxylic acid

C2H4N2O3 (104.0222)


   

Tartronate semialdehyde

2-hydroxy-3-oxopropanoic acid

C3H4O4 (104.011)


Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20]. [HMDB]. Tartronate semialdehyde is found in many foods, some of which are wild leek, common salsify, sunflower, and new zealand spinach. Tartronate semialdehyde is an intermediate in ascorbate and aldarate as well as glyoxylate and dicarboxylate metabolism. It is generated from 2-dehydro-3-deoxy-D-glucarate and 5-dehydro-4-deoxy-D-glucarate via the enzyme 2-dehydro-3-deoxyglucarate aldolase [EC:4.1.2.20].

   

3-Hydroxyisobutyric acid

3-Hydroxyisobutyric acid

C4H8O3 (104.0473)


A 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine. 3-Hydroxyisobutyric acid is an important interorgan metabolite, an intermediate in the pathways of l-valine and thymine and a good gluconeogenic substrate.

   

Isonicotinonitrile

Isonicotinonitrile

C6H4N2 (104.0374)


   

Methyl methoxyacetate

Methyl methoxyacetate

C4H8O3 (104.0473)


   

3-Hydroxyisobutyric acid

3-Hydroxy-2-methyl-(S)-propanoic acid

C4H8O3 (104.0473)


(S)-3-Hydroxyisobutyric acid (3-HIBA) (CAS: 2068-83-9) is an organic acid. 3-HIBA is an intermediate in L-valine metabolism. 3-HIBA plays an important role in the diagnosis of the very rare inherited metabolic diseases 3-hydroxyisobutyric aciduria (OMIM: 236795) and methylmalonic semialdehyde dehydrogenase deficiency (OMIM: 603178). Patients with 3-hydroxyisobutyric aciduria excrete a significant amount of 3-HIBA not only during the acute stage but also when stable. 3-Hydroxyisobutyric aciduria is caused by a 3-hydroxyisobutyryl-CoA dehydrogenase deficiency (PMID: 18329219). The severity of this disease varies from case to case. Most patients exhibit dysmorphic features, such as a small triangular face, a long philtrum, low set ears, and micrognathia (PMID: 10686279). Lactic acidemia is also found in the affected patients, indicating that mitochondrial dysfunction is involved. 3-HIBA appears to specifically inhibit the function of the respiratory chain complex I-III and mitochondrial creatine kinase (PMID: 18329219). BioTransformer predicts that 3-HIBA is a product of 2-methylpropanoic acid metabolism via a hydroxylation-of-terminal-methyl reaction catalyzed by CYP2B6 and CYP2E1 enzymes (PMID: 30612223). (S)-3-Hydroxyisobutyric (3-HIBA) acid is an organic acid. 3-HIBA is an intermediate in the metabolic pathways of L-valine and L-thymine amino acids. 3-HIBA plays an important role in the diagnosis of the very rare inherited metabolic diseases 3-hydroxyisobutyric aciduria (OMIM 236795) and methylmalonic semialdehyde dehydrogenase deficiency (OMIM 603178). Patients with 3-hydroxyisobutyric aciduria excrete a significant amount of 3-HIBA not only during the acute stage but also when stable. The deficient enzyme in 3HiB-uria remains unclear. The severity of this disease varies from case to case. Most patients exhibit dysmorphic features, such as a small triangular face, a long philtrum, low set ears and micrognathia (PMID: 113770040, 10686279) [HMDB] 3-Hydroxyisobutyric acid is an important interorgan metabolite, an intermediate in the pathways of l-valine and thymine and a good gluconeogenic substrate.

   

(S)-3-Hydroxybutyric acid

(S)-3-Hydroxy-2-methyl-propanoic acid

C4H8O3 (104.0473)


(S)-3-Hydroxybutyric acid is a normal human metabolite that has been found elevated in geriatric patients remitting from depression (PMID: 17048218). 3-Hydroxybutyric acid is a ketone body. Like the other ketone bodies (acetoacetate and acetone), levels of 3-hydroxybutyric acid are raised in ketosis. In humans, 3-hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low. (S)-3-Hydroxybutyric acid is a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. (PMID 17048218) (S)-3-Hydroxybutanoic acid is a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. In humans, 3-Hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low.

   

3-aminoalanine

DL-2,3-Diaminopropionic acid monohydrochloride

C3H8N2O2 (104.0586)


A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. KEIO_ID D037

   

3-(Methylthio)propanal

3-(methylthio)Propionaldehyde (methional)

C4H8OS (104.0296)


3-(Methylthio)propanal, also known as 3-methylsulfanylpropanal or 4-thiapentanal, belongs to the class of organic compounds known as alpha-hydrogen aldehydes. These are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 3-(Methylthio)propanal is a beef, cooked potato, and creamy tasting compound. 3-(Methylthio)propanal has been detected, but not quantified, in several different foods, such as anises, sparkleberries, oats, passion fruits, and hard wheats. 3-(Methylthio)propanal is a flavouring ingredient. It is found in many foods, some of which are cucumber, jujube, mugwort, and chicory leaves. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists

   

Isopentyl mercaptan

1-Mercapto-3-methylbutane

C5H12S (104.066)


Isopentyl mercaptan is found in alcoholic beverages. Isopentyl mercaptan is found in beer. Isopentyl mercaptan is a flavouring agent. Found in beer. Flavouring agent

   

3-Methyl-2-butanethiol

1,2-Dimethylpropyl hydrosulfide

C5H12S (104.066)


3-Methyl-2-butanethiol is found in animal foods. 3-Methyl-2-butanethiol is a flavour enhancer for meat products. 3-Methyl-2-butanethiol is present in cooked beef. 3-Methyl-2-butanethiol is formed from thermal degradation of 4-Hydroxy-2,5-dimethyl-3(2H)-furanone FWS46-C in the presence of a sulfur sourc 3-Methyl-2-butanethiol is a flavouring enhancer for meat products. Present in cooked beef. Formed from thermal degradation of 4-Hydroxy-2,5-dimethyl-3(2H)-furanone in the presence of a sulfur source. It is also found in other animal foods.

   

Ethoxyacetic acid

ETHOXYACETIC ACID (egmee (110-80-5))

C4H8O3 (104.0473)


Ethoxyacetic acid is found in herbs and spices. Ethoxyacetic acid is a component of perilla leaf extract (Perilla frutescens Component of perilla leaf extract (Perilla frutescens). Ethoxyacetic acid is found in herbs and spices. Ethoxyacetic acid is an endogenous metabolite.

   

1-Pentanethiol

Mercaptan amilique

C5H12S (104.066)


1-Pentanethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

S-Methyl propanethioate

2-[(1H-Benzimidazol-2-ylmethyl)thio]-N-2-naphthylacetamide

C4H8OS (104.0296)


S-Methyl propanethioate is a flavouring ingredient [CCD Flavouring ingredient [CCD]

   

(R)-3-Hydroxyisobutyric acid

(2R)-3-Hydroxy-2-methylpropionic acid

C4H8O3 (104.0473)


(R)-3-Hydroxyisobutyric acid (3-HIBA) is an organic acid. The chiral metabolites 3-hydroxyisobutyric acid (HIBA) and 3-aminoisobutyric acid (AIBA) are intermediates in the pathways of L-valine and thymine and play an important role in the diagnosis of the very rare inherited metabolic diseases 3-hydroxyisobutyric aciduria (OMIM: 236795) and methylmalonic semialdehyde dehydrogenase deficiency (OMIM: 603178) (PMID: 10686279). (R)-3-Hydroxyisobutyric acid has been identified in the human placenta (PMID: 32033212). The chiral metabolites 3-hydroxyisobutyric acid (HIBA) and 3-aminoisobutyric acid (AIBA) are intermediates in the pathways of l-valine and thymine and play an important role in the diagnosis of the very rare inherited metabolic diseases 3-hydroxyisobutyric aciduria (OMIM 236795) and methylmalonic semialdehyde dehydrogenase deficiency (OMIM 603178). (PMID 10686279) [HMDB] 3-Hydroxyisobutyric acid is an important interorgan metabolite, an intermediate in the pathways of l-valine and thymine and a good gluconeogenic substrate.

   

S-Ethyl thioacetate

Ethanethioic acid, S-ethyl ester

C4H8OS (104.0296)


S-Ethyl thioacetate is a flavouring ingredien Flavouring ingredient

   

3-Mercapto-2-butanone

2-butanone, 3-mercapto-

C4H8OS (104.0296)


3-Mercapto-2-butanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive

   

2-Methyl-1-butanethiol

(±)-2-Methyl-1-butanethiol

C5H12S (104.066)


(±)-2-Methyl-1-butanethiol is a flavouring ingredien Flavouring ingredient

   

(Methylthio)acetone

1-(methylthio)-2-Propanone, 9ci

C4H8OS (104.0296)


(Methylthio)acetone is found in animal foods. (Methylthio)acetone is present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. (Methylthio)acetone is a flavouring agent. Present in roasted sesame seed oil, cooked beef liver and acid hydrolysed soy protein. Flavouring agent. (Methylthio)acetone is found in fats and oils, pulses, and animal foods.

   

(±)-2-Pentanethiol

(±)-2-Pentanethiol

C5H12S (104.066)


(s)-2-pentanethiol is a member of the class of compounds known as alkylthiols. Alkylthiols are organic compounds containing the thiol functional group linked to an alkyl chain (s)-2-pentanethiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (s)-2-pentanethiol can be found in fruits, which makes (s)-2-pentanethiol a potential biomarker for the consumption of this food product. (S)-2-Pentanethiol is found in fruits. (S)-2-Pentanethiol is a component of guava flavour (Psidium guajava).

   

4-Mercapto-2-butanone

4-Sulphanylbutan-2-one

C4H8OS (104.0296)


4-Mercapto-2-butanone is a flavouring ingredient. Flavouring ingredient

   

2-Methyl-3-hydroxypropanoate

2-Methyl-3-hydroxypropanoic acid

C4H8O3 (104.0473)


2-Methyl-3-hydroxypropanoate belongs to the family of Beta Hydroxy Acids and Derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom

   

Allyl methyl sulfoxide

3-(Methylsulfinyl)-1-propene

C4H8OS (104.0296)


Allyl methyl sulfoxide is an odourless garlic-derived metabolite found in human breast milk and urine. It is likely the oxidation product of allyl methyl sulfide (AMS) otherwise known as 3-(methylthio)-1-propene.

   

(1,2-Dihydroxyethyl)oxirane

3,4-Epoxybutane-1,2-diol, (r*,s*)-isomer

C4H8O3 (104.0473)


   

1,3-Pentanediol

pentane-1,3-diol

C5H12O2 (104.0837)


   

2-Isopropoxyethanol

2-(propan-2-yloxy)ethan-1-ol

C5H12O2 (104.0837)


   

2,2-Dimethoxypropane

2,2-Dimethoxypropane

C5H12O2 (104.0837)


   

Alanine amine

Amino 2-aminopropanoic acid

C3H8N2O2 (104.0586)


   

(S)-2-Hydrazinopropionic acid

(S)-2-Hydrazinopropionic acid

C3H8N2O2 (104.0586)


   

Cysteinyl

2-Amino-3-sulphanylpropanoyl

C3H6NOS (104.017)


   

Ethylthiourea

N-Ethylcarbamimidothioate

C3H8N2S (104.0408)


   

METHACRYLOYL CHLORIDE

Methacryloyl chloride, 1-(14)C-labeled

C4H5ClO (104.0029)


   

Methyl lactate

Methyl 2-hydroxypropionic acid

C4H8O3 (104.0473)


   

N,N-Dimethylthiourea

N,N-Dimethylthiourea

C3H8N2S (104.0408)


   

N,N'-DIMETHYLTHIOUREA

N,N-dimethylcarbamimidothioic acid

C3H8N2S (104.0408)


   

Pentane-2,3-diol

Pentane-2,3-diol

C5H12O2 (104.0837)


   

s-Ethylisothiourea

2-Ethylisothiourea hydrobromide

C3H8N2S (104.0408)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors

   

Tetramethylene sulfoxide

tetrahydro-Thiophene-1-oxide

C4H8OS (104.0296)


   

thiobutyric acid

butanethioic S-acid

C4H8OS (104.0296)


   

Ethyl isopropyl sulfide

2-(ethylsulfanyl)propane

C5H12S (104.066)


Ethyl isopropyl sulfide is a member of the class of compounds known as dialkylthioethers. Dialkylthioethers are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Ethyl isopropyl sulfide can be found in ginger, which makes ethyl isopropyl sulfide a potential biomarker for the consumption of this food product.

   

3-ethoxy-1-propanol

3-ethoxypropan-1-ol

C5H12O2 (104.0837)


Flavouring compound [Flavornet]

   

2-Hydroxybutyric acid

DL-alpha-Hydroxybutyric acid

C4H8O3 (104.0473)


(S)-2-Hydroxybutanoic acid is the S-enantiomer of?2-Hydroxybutanoic acid. 2-Hydroxybutanoic acid, a coproduct of protein metabolism, is an insulin resistance (IR) biomarker[1].

   

DL-beta-Hydroxybutyric acid

DL-beta-Hydroxybutyric acid

C4H8O3 (104.0473)


(R)-3-Hydroxybutanoic acid is a metabolite, and converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. (R)-3-Hydroxybutanoic acid has applications as a nutrition source and as a precursor for vitamins, antibiotics and pheromones[1][2].

   

2-Methyl-1,3-butanediol

2-Methyl-1,3-butanediol

C5H12O2 (104.0837)


   

2-Hydroxybutyric acid

(±)-2-hydroxybutyric acid

C4H8O3 (104.0473)


A hydroxybutyric acid having a single hydroxyl group located at position 2; urinary secretion of 2-hydroxybutyric acid is increased with alcohol ingestion or vigorous physical exercise and is associated with lactic acidosis and ketoacidosis in humans and diabetes in animals. (S)-2-Hydroxybutanoic acid is the S-enantiomer of?2-Hydroxybutanoic acid. 2-Hydroxybutanoic acid, a coproduct of protein metabolism, is an insulin resistance (IR) biomarker[1].

   

3-hydroxybutyric acid

DL-beta-Hydroxybutyric acid

C4H8O3 (104.0473)


3-Hydroxybutanoic acid is a ketone body. It is a chiral compound having two enantiomers. The concentration of beta-hydroxybutyrate, like that of other ketone bodies, is increased in ketosis. In humans, beta-hydroxybutyrate is synthesized in the liver from acetyl-CoA in a reaction catalyzed by the enzyme beta-hydroxybutyrate dehydrogenase and can be used as an energy source by the brain when blood glucose is low. Diabetic patients can have their ketone levels tested via urine or blood to indicate diabetic ketoacidosis. In alcoholic ketoacidosis, this ketone body is produced in greatest concentration. Both types of ketoacidosis result in an increasebeta-hydroxybutyrate to oxaloacetate ratio, resulting in TCA cycle stalling and shifting of glucose towards ketone body production. [Wikipedia] (R)-3-Hydroxybutanoic acid is a metabolite, and converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. (R)-3-Hydroxybutanoic acid has applications as a nutrition source and as a precursor for vitamins, antibiotics and pheromones[1][2]. 3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1]. 3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1].

   

4-Hydroxybutyric acid

4-Hydroxybutanoic acid

C4H8O3 (104.0473)


A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group.

   

s-ethylisothiourea

s-ethylisothiourea

C3H8N2S (104.0408)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors

   

Tetramethylene sulfoxide

Tetrahydrothiophene 1-oxide

C4H8OS (104.0296)


   

3-Cyanopyridine

3-Cyanopyridine

C6H4N2 (104.0374)


Acquisition and generation of the data is financially supported in part by CREST/JST.

   

3-Methoxy-2-butanol

3-Methoxy-2-butanol

C5H12O2 (104.0837)


   

1,1-DIMETHOXYPROPANE

1,1-DIMETHOXYPROPANE

C5H12O2 (104.0837)


   

METHACRYLOYL CHLORIDE

METHACRYLOYL CHLORIDE

C4H5ClO (104.0029)


   

2-methoxy-2-oxoacetic acid

2-methoxy-2-oxoacetic acid

C3H4O4 (104.011)


   

2,3-dihydroxyacrylic acid

2,3-dihydroxyacrylic acid

C3H4O4 (104.011)


   

Dinitrile-(Z,Z)-2,4-Hexadienoic acid

Dinitrile-(Z,Z)-2,4-Hexadienoic acid

C6H4N2 (104.0374)


   

3-hydroxy-1,1-dimethylurea

3-hydroxy-1,1-dimethylurea

C3H8N2O2 (104.0586)


   

Methyl isobutyl sulfide

Methyl isobutyl sulfide

C5H12S (104.066)


   

Ethyl isopropyl sulfide

Propane, 2-(ethylthio)-

C5H12S (104.066)


   

1,5-PENTANEDIOL

1,5-PENTANEDIOL

C5H12O2 (104.0837)


   

Ethyl propyl sulfide

Ethyl propyl sulfide

C5H12S (104.066)


   

3-Ethoxy-1-propanol

3-Ethoxy-1-propanol

C5H12O2 (104.0837)


A hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3.

   

Monohydrazide-Oxalic acid

Monohydrazide-Oxalic acid

C2H4N2O3 (104.0222)


   

METHYL LACTATE

1-(Dibromomethyl)-3-phenoxybenzene

C4H8O3 (104.0473)


   

1-sulfinylbutane

1-sulfinylbutane

C4H8OS (104.0296)


   

CCC=CSO

CCC=CSO

C4H8OS (104.0296)


   

dimethylthiourea

InChI=1/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6

C3H8N2S (104.0408)


D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2]. N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2].

   

2-Hydroxyisobutyrate

2-HYDROXYISOBUTYRIC ACID

C4H8O3 (104.0473)


KEIO_ID H026 2-Hydroxyisobutyric acid is an endogenous metabolite.

   

alpha-Hydroxyisobutyric acid

alpha-Hydroxyisobutyric acid

C4H8O3 (104.0473)


A 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether. Acquisition and generation of the data is financially supported in part by CREST/JST. 2-Hydroxyisobutyric acid is an endogenous metabolite.

   

Malonate

malonic acid

C3H4O4 (104.011)


   

L-2,3-DIAMINOPROPIONIC ACID

"L-2,3-DIAMINOPROPIONIC ACID"

C3H8N2O2 (104.0586)


   

(S)-3-CHLOROSTYRENEOXIDE

(S)-3-Hydroxyisobutyric acid

C4H8O3 (104.0473)


   

(S)-3-Hydroxybutyric acid

(S)-3-Hydroxybutanoic acid

C4H8O3 (104.0473)


The S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. (S)-3-Hydroxybutanoic acid is a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. In humans, 3-Hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low.

   

malonic acid

Propanedioic acid

C3H4O4 (104.011)


An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.

   

2,3-diaminopropionic acid

L-2,3-Diaminopropionic acid

C3H8N2O2 (104.0586)


   

STYRENE

1,1-(1H-Pyrrole-2,5-diyl)diethanamine

C8H8 (104.0626)


A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.

   

3-Hydroxybutanoic acid

3-Hydroxybutanoic acid

C4H8O3 (104.0473)


   

L-2,3-Diaminopropionic acid

L-2,3-Diaminopropionic acid

C3H8N2O2 (104.0586)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

alpha-Hydroxyisobutyric acid

alpha-Hydroxyisobutyric acid

C4H8O3 (104.0473)


   

Hydroxypyruvate

Hydroxypyruvate

C3H4O4 (104.011)


   

Malonic acid; LC-tDDA; CE10

Malonic acid; LC-tDDA; CE10

C3H4O4 (104.011)


   

Malonic acid; LC-tDDA; CE20

Malonic acid; LC-tDDA; CE20

C3H4O4 (104.011)


   

2_3-DIAMINOPROPIONATE

2_3-DIAMINOPROPIONATE

C3H8N2O2 (104.0586)


   

2-Hydroxybutyrate

2-Hydroxybutyrate

C4H8O3 (104.0473)


   

3-HYDROXYBUTANOATE

3-HYDROXYBUTANOATE

C4H8O3 (104.0473)


   

HYDROXYISOBUTYRIC ACID

2-HYDROXYISOBUTYRIC ACID

C4H8O3 (104.0473)


2-Hydroxyisobutyric acid is an endogenous metabolite.

   

DL-a-Hydroxybutyric acid

(±)-2-hydroxybutyric acid

C4H8O3 (104.0473)


   

3R-hydroxy-isobutyric acid

2R-methy-3-hydroxy-propanoic acid

C4H8O3 (104.0473)


   

WR 539

ethyl carbamimidothioate, hydrobromide

C3H8N2S (104.0408)


   

Tetrahydrothiophene sulfoxide

Tetrahydrothiophene sulfoxide

C4H8OS (104.0296)


   

alpha-hydroxy-isobutyric acid

2-hydroxy-2-methyl-propanoic acid

C4H8O3 (104.0473)


   

2,3-diamino-propionic acid

2S,3-diamino-propionic acid

C3H8N2O2 (104.0586)


   

Methional

4-01-00-03974 (Beilstein Handbook Reference)

C4H8OS (104.0296)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists

   

(±)-3-Hydroxybutyric acid

(±)-3-Hydroxybutyric acid

C4H8O3 (104.0473)


   

Ethyl thioacetate

Ethanethioic acid, S-ethyl ester

C4H8OS (104.0296)


   

S-Methyl thiopropanoate

2-[(1H-Benzimidazol-2-ylmethyl)thio]-N-2-naphthylacetamide

C4H8OS (104.0296)


   

ETHOXYACETIC ACID

ETHOXYACETIC ACID (egmee (110-80-5))

C4H8O3 (104.0473)


Ethoxyacetic acid is an endogenous metabolite.

   

UNII:99G79565PJ

3-Mercapto-2-butanone

C4H8OS (104.0296)


   

Pentalarm

Mercaptan amilique

C5H12S (104.066)


   

Isopentanethiol

1-Mercapto-3-methylbutane

C5H12S (104.066)


   

UNII:8ZRO873BR6

1-Mercapto-2-methylbutane

C5H12S (104.066)


   

FEMA 3304

1,2-Dimethylpropyl hydrosulfide

C5H12S (104.066)


   

FEMA 3882

1-(methylthio)-2-Propanone, 9ci

C4H8OS (104.0296)


   

pentane-2-thiol

(±)-2-Pentanethiol

C5H12S (104.066)


   

FEMA 3357

1-Mercaptobutan-3-one

C4H8OS (104.0296)


   

FA 4:0;O

(R)-2-hydroxybutanoic acid;D-2-hydroxybutanoic acid;D-2-hydroxybutyric acid

C4H8O3 (104.0473)


(S)-3-Hydroxybutanoic acid is a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. In humans, 3-Hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low.

   

Acetonic acid

2-hydroxy-2-methyl-propanoic acid

C4H8O3 (104.0473)


   

Cyclooctatetraene

1,3,5,7-Cyclooctatetraene

C8H8 (104.0626)


   

3-Thiahexane

3-Thiahexane

C5H12S (104.066)


   

Chlorocyclopentane

Chlorocyclopentane

C5H9Cl (104.0393)


   

tert-butyl methyl sulfide

tert-butyl methyl sulfide

C5H12S (104.066)


   

boron trifluoride dihydrate

boron trifluoride dihydrate

BF3H4O2 (104.0256)


   

α,α-Glycerol formal

α,α-Glycerol formal

C4H8O3 (104.0473)


   

(R)-3-Methoxy-2-methylpropan-1-OL

(R)-3-METHOXY-2-METHYLPROPAN-1-OL

C5H12O2 (104.0837)


   

(2-Hydroxyethoxy)acetaldehyde

(2-Hydroxyethoxy)acetaldehyde

C4H8O3 (104.0473)


   

3,3,4,4-tetradeuteriooxolane-2,5-dione

3,3,4,4-tetradeuteriooxolane-2,5-dione

C4D4O3 (104.0412)


   

(R)-3-CBZ-2-OXO-IMIDAZOLIDINE-4-CARBOXYLICACID

(R)-3-CBZ-2-OXO-IMIDAZOLIDINE-4-CARBOXYLICACID

C4H8O3 (104.0473)


   

pentanoic-4,4-d2 acid

pentanoic-4,4-d2 acid

C5H8D2O2 (104.0806)


   

(3S,4S)-4-(4-CHLOROPHENYL)-1-METHYLPIPERIDINE-3-CARBOXYLICACIDMETHYLESTER

(3S,4S)-4-(4-CHLOROPHENYL)-1-METHYLPIPERIDINE-3-CARBOXYLICACIDMETHYLESTER

C4H8O3 (104.0473)


   

α,β-Glycerol formal

α,β-Glycerol formal

C4H8O3 (104.0473)


   

cyclobutene-1,2-dicarbonitrile

cyclobutene-1,2-dicarbonitrile

C6H4N2 (104.0374)


   

1-(2-Hydroxyethyl)urea

1-(2-Hydroxyethyl)urea

C3H8N2O2 (104.0586)


   

Formamidine acetate

Formamidine acetate

C3H8N2O2 (104.0586)


   

Methyl but-3-ynoate

Methyl but-3-ynoate

C6H4N2 (104.0374)


   

Dinitrogen tetrafluoride

Dinitrogen tetrafluoride

F4N2 (103.9998)


   

cubane

cubane

C8H8 (104.0626)


   

Cyclopropanecarbonyl chloride

Cyclopropanecarbonyl chloride

C4H5ClO (104.0029)


   

2-Crotonoyl chloride

2-Crotonoyl chloride

C4H5ClO (104.0029)


   

2,4-PENTANEDIOL

2,4-PENTANEDIOL

C5H12O2 (104.0837)


   

(2S)-2-[(PHENOXYACETYL)AMINO]PROPANOICACID

(2S)-2-[(PHENOXYACETYL)AMINO]PROPANOICACID

C5H12O2 (104.0837)


   

3-methoxybutan-2-ol

3-methoxybutan-2-ol

C5H12O2 (104.0837)


   

3-(Hydroxymethyl)-3-oxetanol

3-(Hydroxymethyl)-3-oxetanol

C4H8O3 (104.0473)


   

(R)-2-HYDROXYBUTYRIC ACID

(R)-2-Hydroxybutanoic acid

C4H8O3 (104.0473)


An optically active form of 2-hydroxybutyric acid having (R)-configuration.

   

1,2-Dimethoxypropane

1,2-Dimethoxypropane

C5H12O2 (104.0837)


   

(Trimethylsilyl)methanol

(Trimethylsilyl)methanol

C4H12OSi (104.0657)


   

Ethoxy(dimethyl)silane

Ethoxy(dimethyl)silane

C4H12OSi (104.0657)


   

1,3,5-trioxepane

1,3,5-trioxepane

C4H8O3 (104.0473)


   

UNII:288B9CW12D

UNII:288B9CW12D

C4H8O3 (104.0473)


   

Trimethyl borate

Trimethyl borate-11B

C3H9BO3 (104.0645)


   

2-AMINO-3-HYDROXYPROPANAMIDE

2-AMINO-3-HYDROXYPROPANAMIDE

C3H8N2O2 (104.0586)


   

sec-butyl methyl sulfide

sec-butyl methyl sulfide

C5H12S (104.066)


   

2,n-dihydroxy-propionamidine

2,n-dihydroxy-propionamidine

C3H8N2O2 (104.0586)


   

((Methylthio)methyl)oxirane

((Methylthio)methyl)oxirane

C4H8OS (104.0296)


   

1,4-Dihydroxy-2-butanone

1,4-Dihydroxy-2-butanone

C4H8O3 (104.0473)


   

1-Fluorocyclopropanecarboxylic acid

1-Fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

2-Isocyanopyridine

2-Isocyanopyridine

C6H4N2 (104.0374)


   

1-Ethoxy-2-propanol

1-Ethoxy-2-propanol

C5H12O2 (104.0837)


   

2-PROPOXYETHANOL

2-PROPOXYETHANOL

C5H12O2 (104.0837)


   

CBZ-β-AMINO-D-ALANINE

CBZ-β-AMINO-D-ALANINE

C3H8N2O2 (104.0586)


   

1H-Imidazole hydrochloride

1H-Imidazole hydrochloride

C3H5ClN2 (104.0141)


   

(2R)-2-Methyl-1,4-butanediol

(2R)-2-Methyl-1,4-butanediol

C5H12O2 (104.0837)


   

(R)-(+)-2-METHOXYPROPIONIC ACID

(R)-(+)-2-METHOXYPROPIONIC ACID

C4H8O3 (104.0473)


   

ethoxy propanol

ethoxy propanol

C5H12O2 (104.0837)


   

(S)-1,2-DIAMINOPROPANEDIHYDROCHLORIDE

(S)-1,2-DIAMINOPROPANEDIHYDROCHLORIDE

C5H12O2 (104.0837)


   

Lithium (trimethylsilyl)acetylide

Lithium (trimethylsilyl)acetylide

C5H9LiSi (104.0634)


   

3-CHLORO-3-METHYL-1-BUTENE

3-CHLORO-3-METHYL-1-BUTENE

C5H9Cl (104.0393)


   

(Z,Z)-2,4-HEXADIENEDINITRILE

(Z,Z)-2,4-HEXADIENEDINITRILE

C6H4N2 (104.0374)


   

Ethylthiourea

Ethylthiourea

C3H8N2S (104.0408)


   

2-METHOXY-1,3-DIOXOLANE

2-METHOXY-1,3-DIOXOLANE

C4H8O3 (104.0473)


   

glycol monoacetate

2-Hydroxyethyl acetate

C4H8O3 (104.0473)


   

2-Methoxy-1-butanol

2-Methoxy-1-butanol

C5H12O2 (104.0837)


   

Poly(ethylene glycol)

Poly(ethylene glycol)

C5H12O2 (104.0837)


   

Malonic acid-2-13C

Malonic acid-2-13C

C3H4O4 (104.011)


   

3-Hydroxytetrahydrothiophene

3-Hydroxytetrahydrothiophene

C4H8OS (104.0296)


   

(2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLICACID

(2R)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLICACID

C5H12O2 (104.0837)


   

Benzocyclobutene

bicyclo[4.2.0]octa-1,3,5-triene

C8H8 (104.0626)


A carbobicyclic compound that is benzene fused to a cyclobutane ring.

   

N-HYDROXY-2-METHOXYACETIMIDAMIDE

N-HYDROXY-2-METHOXYACETIMIDAMIDE

C3H8N2O2 (104.0586)


   

2-Methoxyacetohydrazide

2-Methoxyacetohydrazide

C3H8N2O2 (104.0586)


   

1,4-Butanediol,2-methyl-

1,4-Butanediol,2-methyl-

C5H12O2 (104.0837)


   

2-Butenal, 2-chloro-

2-Butenal, 2-chloro-

C4H5ClO (104.0029)


   

3-methyl-1-butanethiol

3-methyl-1-butanethiol

C5H12S (104.066)


   

1,3-Dimethoxypropane

1,3-Dimethoxypropane

C5H12O2 (104.0837)


   

(1-Fluoromethyl-Cyclopropyl)-Methanol

(1-Fluoromethyl-Cyclopropyl)-Methanol

C5H9FO (104.0637)


   

1,2,3,4-Tetra(methylene)cyclobutane

1,2,3,4-Tetra(methylene)cyclobutane

C8H8 (104.0626)


   

1,4-Oxathiane

1,4-Oxathiane

C4H8OS (104.0296)


   

1,2-Pentanediol

1,2-Pentanediol

C5H12O2 (104.0837)


   

4-CHLORO-2-BUTYN-1-OL

4-CHLORO-2-BUTYN-1-OL

C4H5ClO (104.0029)


   

Methyl-D-(+)-Lactate

Methyl (R)-(+)-lactate

C4H8O3 (104.0473)


   

acetaldehyde ethyl methyl acetal

acetaldehyde ethyl methyl acetal

C5H12O2 (104.0837)


   

chloromethylcyclobutane

chloromethylcyclobutane

C5H9Cl (104.0393)


   

2-Thiazolidinamine(9CI)

2-Thiazolidinamine(9CI)

C3H8N2S (104.0408)


   

ethylnitrolic acid

ethylnitrolic acid

C2H4N2O3 (104.0222)


   

Ethyl-methylcarbonat

Ethyl-methylcarbonat

C4H8O3 (104.0473)


   

1-Chloro-3-methyl-2-butene

1-Chloro-3-methyl-2-butene

C5H9Cl (104.0393)


   

Propanoic acid,3-hydroxy-, hydrazide

Propanoic acid,3-hydroxy-, hydrazide

C3H8N2O2 (104.0586)


   

3-methylbutyric-2,2-d2 acid

3-methylbutyric-2,2-d2 acid

C5H8D2O2 (104.0806)


   

Malonic acid-1,3-13C2

Malonic acid-1,3-13C2

C3H4O4 (104.011)


   

4-methoxy-2-butanol

4-methoxy-2-butanol

C5H12O2 (104.0837)


   

5-Chloro-1-pentene

5-Chloro-1-pentene

C5H9Cl (104.0393)


   

2-METHYL-2-BUTANETHIOL

2-METHYL-2-BUTANETHIOL

C5H12S (104.066)


   

tert-Amyl hydroperoxide

tert-Amyl hydroperoxide

C5H12O2 (104.0837)


   

TETRAHYDRO-THIOPHEN-3-OL

TETRAHYDRO-THIOPHEN-3-OL

C4H8OS (104.0296)


   

1,3-Dioxolane-2-methanol

1,3-Dioxolane-2-methanol

C4H8O3 (104.0473)


   

2-Ethoxy-1-propanol

2-Ethoxy-1-propanol

C5H12O2 (104.0837)


   

2-Hydroxybutanoic acid

2-Hydroxybutanoic acid

C4H8O3 (104.0473)


   

2-ethylpropane-1,3-diol

2-ethylpropane-1,3-diol

C5H12O2 (104.0837)


   

(2-aminoethyl)carbamic acid

(2-aminoethyl)carbamic acid

C3H8N2O2 (104.0586)


   

Nitroguanidine

Nitroguanidine

CH4N4O2 (104.0334)


   

(1R,2R)-2-fluorocyclopropanecarboxylic acid

(1R,2R)-2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

(1,3-Dioxolan-4-yl)methanol

(1,3-Dioxolan-4-yl)methanol

C4H8O3 (104.0473)


   

1-Methoxy-2-butanol

1-Methoxy-2-butanol

C5H12O2 (104.0837)


   

(-)-(S)-5-BROMO-2,3-DIMETHOXY-N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-BENZAMIDE

(-)-(S)-5-BROMO-2,3-DIMETHOXY-N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-BENZAMIDE

C4H8O3 (104.0473)


   

Ethyl 2-hydroxyacetate

Ethyl 2-hydroxyacetate

C4H8O3 (104.0473)


   

(S)-(-)-2-Methoxypropionic Acid

(S)-(-)-2-Methoxypropionic Acid

C4H8O3 (104.0473)


   

Methyl 2-fluoroacrylate

Methyl 2-fluoroacrylate

C4H5FO2 (104.0274)


   

2-chloro-4,5-dihydro-1H-imidazole

2-chloro-4,5-dihydro-1H-imidazole

C3H5ClN2 (104.0141)


   

N,N-Dimethylthiourea

Thiourea, N,N-dimethyl-

C3H8N2S (104.0408)


   

(−)-Methyl L-lactate

Methyl (S)-(-)-lactate

C4H8O3 (104.0473)


   

2-Methoxy-2-methyl-1-propanol

2-Methoxy-2-methyl-1-propanol

C5H12O2 (104.0837)


   

4-chloro-2,3-dihydrofuran

4-chloro-2,3-dihydrofuran

C4H5ClO (104.0029)


   

Neopentyl glycol

Neopentyl glycol

C5H12O2 (104.0837)


   

Trimethyl Methoxysilane

Trimethyl Methoxysilane

C4H12OSi (104.0657)


   

UNII:IU6ICR549L

UNII:IU6ICR549L

C3H8N2O2 (104.0586)


   

(S)-2-Methyl-1,4-butanediol

(S)-2-Methyl-1,4-butanediol

C5H12O2 (104.0837)


   

3-Methyl-1,3-butanediol

3-Methyl-1,3-butanediol

C5H12O2 (104.0837)


   

Ethyl hydrazinecarboxylate

Ethyl hydrazinecarboxylate

C3H8N2O2 (104.0586)


   

pentane-1,4-diol

pentane-1,4-diol

C5H12O2 (104.0837)


   

2-fluorocyclopropanecarboxylic acid

2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

D-serine amide

D-serine amide

C3H8N2O2 (104.0586)


   

UNII:SJ995B41AO

3-Methoxy-1-butanol

C5H12O2 (104.0837)


   

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)-

Cyclopropanecarboxylic acid, 2-fluoro-, (1S,2R)-

C4H5FO2 (104.0274)


   

(1R,2S)-2-fluorocyclopropanecarboxylic acid

(1R,2S)-2-fluorocyclopropanecarboxylic acid

C4H5FO2 (104.0274)


   

(2S,4S)-2,4-Pentanediol

(2S,4S)-2,4-Pentanediol

C5H12O2 (104.0837)


   

3-Methoxypropanoic acid

3-Methoxypropanoic acid

C4H8O3 (104.0473)


   

STYRENE-ALPHA,BETA-13C2

STYRENE-ALPHA,BETA-13C2

C8H8 (104.0626)


   

2-Methoxy(4,4,5,5-2H4)-4,5-dihydro-1H-imidazole

2-Methoxy(4,4,5,5-2H4)-4,5-dihydro-1H-imidazole

C4H4D4N2O (104.0888)


   

diethoxymethane

diethoxymethane

C5H12O2 (104.0837)


   

methazonic acid

methazonic acid

C2H4N2O3 (104.0222)


   

5-Ethynylpyrimidine

5-Ethynylpyrimidine

C6H4N2 (104.0374)


   

2-METHYLSULFANYL-ACETAMIDINE

2-METHYLSULFANYL-ACETAMIDINE

C3H8N2S (104.0408)


   

2-Nitroacetamide

2-Nitroacetamide

C2H4N2O3 (104.0222)


   

(R)-2,3-DIAMINOPROPANOIC ACID

(R)-2,3-DIAMINOPROPANOIC ACID

C3H8N2O2 (104.0586)


   

styrene-d8

styrene-d8

C8H8 (104.0626)


   

2-methylbutane-1,2-diol

2-methylbutane-1,2-diol

C5H12O2 (104.0837)


   

(2r,4r)-(-)-pentanediol

(2r,4r)-(-)-pentanediol

C5H12O2 (104.0837)


   

(3R,4S)-tetrahydrofuran-3,4-diol

(3R,4S)-tetrahydrofuran-3,4-diol

C4H8O3 (104.0473)


   

2-ethynylpyrazine

2-ethynylpyrazine

C6H4N2 (104.0374)


   

1-methoxy-2-methyl-2-propanol

1-methoxy-2-methyl-2-propanol

C5H12O2 (104.0837)


   

2-thiahexane

2-thiahexane

C5H12S (104.066)


   

fluoro(2-methylprop-1-enyl)silicon

fluoro(2-methylprop-1-enyl)silicon

C4H9FSi (104.0458)


   

Oxirane,2-(1-chloroethenyl)-

Oxirane,2-(1-chloroethenyl)-

C4H5ClO (104.0029)


   

ethylene glycol ethyl methyl ether

ethylene glycol ethyl methyl ether

C5H12O2 (104.0837)


   

2-Methylbutane-2,3-diol

2-Methylbutane-2,3-diol

C5H12O2 (104.0837)


   

Butoxymethanol

Butoxymethanol

C5H12O2 (104.0837)


   

3,4-Dihydroxybutan-2-one

3,4-Dihydroxybutan-2-one

C4H8O3 (104.0473)


   

(3R)-3,4-Dihydroxybutanal

(3R)-3,4-Dihydroxybutanal

C4H8O3 (104.0473)


   

Pentane-2,3-diol

Pentane-2,3-diol

C5H12O2 (104.0837)


   

1,3-Pentanediol

1,3-Pentanediol

C5H12O2 (104.0837)


   

3-Methylmercaptopropionic Acid

3-Methylmercaptopropionic Acid

C4H8OS (104.0296)


   

alpha-Hydrazinopropionic acid

alpha-Hydrazinopropionic acid

C3H8N2O2 (104.0586)


   

3-Methylbutane-1,2-diol

3-Methylbutane-1,2-diol

C5H12O2 (104.0837)


A glycol in which the two hydroxy groups are located at positions 1 and 2 of isopentane.

   

1,3-Oxathiane

1,3-Oxathiane

C4H8OS (104.0296)


An organosulfur heterocyclic compound and an oxacycle that is a cyclohexane in which the carbon atoms at position 1 and 3 are replaced by an oxygen and sulfur atom respectively.

   

3,6-Dimethylidenecyclohexa-1,4-diene

3,6-Dimethylidenecyclohexa-1,4-diene

C8H8 (104.0626)


   

o-Xylylene

o-Xylylene

C8H8 (104.0626)


   

1,3-Dihydroxybutan-2-one

1,3-Dihydroxybutan-2-one

C4H8O3 (104.0473)


   

1-Hydroxy-3-methoxyacetone

1-Hydroxy-3-methoxyacetone

C4H8O3 (104.0473)


   

1H-borepin, 1-methyl-

1H-borepin, 1-methyl-

C7H9B (104.0797)


   

4-Chloro-3-buten-2-one

4-Chloro-3-buten-2-one

C4H5ClO (104.0029)


   

Styrol

MALDI validation set polystyrene Mp 500-70000 certified according to DIN

C8H8 (104.0626)


   

Ucar AC

InChI=1\C5H12O2\c1-5(2)7-4-3-6\h5-6H,3-4H2,1-2H

C5H12O2 (104.0837)


   

EP Solvent

Monopropyl ether of ethylene glycol

C5H12O2 (104.0837)


   

WLN: Q5Q

4-01-00-02540 (Beilstein Handbook Reference)

C5H12O2 (104.0837)


   

AI3-16377

InChI=1\C3H8N2S\c1-4-3(6)5-2\h1-2H3,(H2,4,5,6

C3H8N2S (104.0408)


D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2]. N,N'-Dimethylthiourea (DMTU), isolated from Allium sativum, is an orally active scavenger of hydroxyl radical (?OH) and blocks ?OH production by activated neutrophils in vitro. N,N'-Dimethylthiourea protects against water-immersion restraint stress (WIRS)-induced gastric mucosal lesions in rats by exerting its antioxidant action including ?OH scavenging and anti-inflammatory action[1][2].

   

NPG Glycol

InChI=1\C5H12O2\c1-5(2,3-6)4-7\h6-7H,3-4H2,1-2H

C5H12O2 (104.0837)


   

694-87-1

InChI=1\C8H8\c1-2-4-8-6-5-7(8)3-1\h1-4H,5-6H

C8H8 (104.0626)


   

591-81-1

.gamma.-Hydroxybutyric acid decomposition product

C4H8O3 (104.0473)


   

4-Hydroxybutanoate

4-Hydroxybutyric acid

C4H8O3 (104.0473)


Gamma hydroxybutyric acid, also known as 4-hydroxybutanoic acid or ghb, 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. Gamma hydroxybutyric acid is soluble (in water) and a weakly acidic compound (based on its pKa). Gamma hydroxybutyric acid can be found in a number of food items such as cauliflower, burdock, acorn, and mountain yam, which makes gamma hydroxybutyric acid a potential biomarker for the consumption of these food products. Gamma hydroxybutyric acid can be found primarily in blood and urine. Gamma hydroxybutyric acid is a drug which is used as a general anesthetic, to treat conditions such as insomnia, clinical depression, narcolepsy, and alcoholism, and to improve athletic performance. At higher doses, GHB may induce nausea, dizziness, drowsiness, agitation, visual disturbances, depressed breathing, amnesia, unconsciousness, and death (DrugBank).

   

tert-Butoxymethanol

tert-Butoxymethanol

C5H12O2 (104.0837)


   

(E)-1-butenesulfenate

(E)-1-butenesulfenate

C4H8OS (104.0296)


   

beta-Alanine-methyl-ester

beta-Alanine-methyl-ester

C4H10NO2+ (104.0712)


   

Cysteinyl

Cysteinyl

C3H6NOS (104.017)


   

(S)-2,3-Diaminopropanoate

(S)-2,3-Diaminopropanoate

C3H8N2O2 (104.0586)


   

2-Nitroguanidine

2-Nitroguanidine

CH4N4O2 (104.0334)


   

2-Amino-3-ammoniopropanoate

2-Amino-3-ammoniopropanoate

C3H8N2O2 (104.0586)


   

Serinate

Serinate

C3H6NO3- (104.0348)


An alpha-amino-acid anion that is the conjugate base of serine.

   

(R)-2,3-diaminopropanoate

(R)-2,3-diaminopropanoate

C3H8N2O2 (104.0586)


   

2,3-Dihydroxypropenoic acid

2,3-Dihydroxypropenoic acid

C3H4O4 (104.011)


   

1,3,5-Thiadiazinane

1,3,5-Thiadiazinane

C3H8N2S (104.0408)


   

D-serinate

D-serinate

C3H6NO3- (104.0348)


The D-enantiomer of serinate.

   

(2S)-2-Amino-3-hydroxypropanoate

(2S)-2-Amino-3-hydroxypropanoate

C3H6NO3- (104.0348)


   

Ethyl N-oxidocarbamate

Ethyl N-oxidocarbamate

C3H6NO3- (104.0348)


   

Methyl methoxyacetate (1,1,1-D3)

Methyl methoxyacetate (1,1,1-D3)

C4H8O3 (104.0473)


   

(R)-3-Hydroxybutyric acid

(R)-3-Hydroxybutanoic acid

C4H8O3 (104.0473)


The R-enantiomer of 3-hydroxybutyric acid. Involved in the synthesis and degradation of ketone bodies, it can be used as an energy source by the brain during hypoglycaemia, and for the synthesis of biodegradable plastics. It is a sex pheremone in the European spider Linyphia triangularis. (R)-3-Hydroxybutanoic acid is a metabolite, and converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. (R)-3-Hydroxybutanoic acid has applications as a nutrition source and as a precursor for vitamins, antibiotics and pheromones[1][2].

   

hydroxypyruvic acid

3-Hydroxypyruvic acid

C3H4O4 (104.011)


A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. Hydroxypyruvic acid (β-Hydroxypyruvic acid) is an intermediate in the metabolism of glycine, serine and threonine. Hydroxypyruvic acid is a substrate for serine-pyruvate aminotransferase and glyoxylate reductase/hydroxypyruvate reductase. Hydroxypyruvic acid is involved in the metabolic disorder which is the dimethylglycine dehydrogenase deficiency pathway.

   

(S)-2-Hydroxybutyric acid

(S)-2-Hydroxybutyric acid

C4H8O3 (104.0473)


An optically active form of 2-hydroxybutyric acid having (S)-configuration. (S)-2-Hydroxybutanoic acid is the S-enantiomer of?2-Hydroxybutanoic acid. 2-Hydroxybutanoic acid, a coproduct of protein metabolism, is an insulin resistance (IR) biomarker[1].

   

2-hydroxy-3-oxopropanoic acid

2-hydroxy-3-oxopropanoic acid

C3H4O4 (104.011)


   

Allophanic acid

Allophanic acid

C2H4N2O3 (104.0222)


   

β-Hydroxybutyric acid

β-Hydroxybutyric acid

C4H8O3 (104.0473)


A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. 3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1]. 3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1].

   

(R)-2-Hydroxymethylpropanoic acid

(2R)-3-Hydroxy-2-methylpropanoic acid

C4H8O3 (104.0473)


   

pentanethiol

1-Pentanethiol

C5H12S (104.066)


   

Methyl 2-hydroxypropionate

Methyl 2-hydroxypropionate

C4H8O3 (104.0473)


A lactate ester resulting from the formal condensation of the carboxy group of 2-hydroxypropanoic acid with methanol.

   

2-Pentanethiol

2-Pentanethiol

C5H12S (104.066)


   

3-Methylbutane-1-thiol

3-Methylbutane-1-thiol

C5H12S (104.066)


   

3-Methyl-2-butanethiol

3-Methyl-2-butanethiol

C5H12S (104.066)


   

1-(methylthio)acetone

1-methylthio-2-Propanone

C4H8OS (104.0296)


   

4-mercapto-2-butanone

4-mercapto-2-butanone

C4H8OS (104.0296)


   

S-Methyl propanethioate

S-Methyl propanethioate

C4H8OS (104.0296)


   

Methyl 3-hydroxypropanoate

Methyl 3-hydroxypropanoate

C4H8O3 (104.0473)


   

Allyl methyl sulfoxide

Allyl methyl sulfoxide

C4H8OS (104.0296)


   

3-amino-L-alanine zwitterion

3-amino-L-alanine zwitterion

C3H8N2O2 (104.0586)


The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-L-alanine; major species at pH 7.3.

   

3-aminoalanine zwitterion

3-aminoalanine zwitterion

C3H8N2O2 (104.0586)


An amino acid zwitterion of 3-aminoalanine where the 3-amino group is protonated.

   

3-amino-D-alanine zwitterion

3-amino-D-alanine zwitterion

C3H8N2O2 (104.0586)


The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-D-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

3-amino-D-alanine

3-amino-D-alanine

C3H8N2O2 (104.0586)


A 3-aminoalanine that has R configuration.

   

Urea-1-carboxylic acid

Urea-1-carboxylic acid

C2H4N2O3 (104.0222)


A member of the class of ureas that is urea in which one of the hydrogens has been replaced by a carboxy group.

   

3-Amino-L-alanine

3-Amino-L-alanine

C3H8N2O2 (104.0586)


A 3-aminoalanine that has S configuration.

   

methyl (S)-lactate

methyl (S)-lactate

C4H8O3 (104.0473)


A methyl 2-hydroxypropionate that has S configuration.

   

methyl (R)-lactate

methyl (R)-lactate

C4H8O3 (104.0473)


A methyl lactate that has R configuration.

   

L-serinate

L-serinate

C3H6NO3 (104.0348)


A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group.

   

Cyanopyridine

Cyanopyridine

C6H4N2 (104.0374)


   

2-Hydroxybutyric acid/2-Hydroxyisobutyric acid

2-Hydroxybutyric acid/2-Hydroxyisobutyric acid

C4H8O3 (104.0473)


   

2R-Hydroxybutyric acid

2R-Hydroxybutyric acid

C4H8O3 (104.0473)


   

2S-Hydroxybutyric acid

2S-Hydroxybutyric acid

C4H8O3 (104.0473)


   

3R-Hydroxybutyric acid

3R-Hydroxybutyric acid

C4H8O3 (104.0473)


   

3R-Hydroxyisobutyric acid

3R-Hydroxyisobutyric acid

C4H8O3 (104.0473)


   

Diaminopropionic acid

Diaminopropionic acid

C3H8N2O2 (104.0586)


   

Methylthiopropanal

Methylthiopropanal

C4H8OS (104.0296)


   

Tetrahydrothiophene-1-oxide

Tetrahydrothiophene-1-oxide

C4H8OS (104.0296)


   

1,3-Dioxan-5-ol

NA

C4H8O3 (104.0473)


{"Ingredient_id": "HBIN001222","Ingredient_name": "1,3-Dioxan-5-ol","Alias": "NA","Ingredient_formula": "C4H8O3","Ingredient_Smile": "C1C(COCO1)O","Ingredient_weight": "104.1 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40280","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "78475","DrugBank_id": "NA"}

   

2-Methoxy-1,3-dioxolane

NA

C4H8O3 (104.0473)


{"Ingredient_id": "HBIN005870","Ingredient_name": "2-Methoxy-1,3-dioxolane","Alias": "NA","Ingredient_formula": "C4H8O3","Ingredient_Smile": "COC1OCCO1","Ingredient_weight": "104.1 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40283","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "29744","DrugBank_id": "NA"}

   

(2s,3r)-2-methylbutane-1,3-diol

(2s,3r)-2-methylbutane-1,3-diol

C5H12O2 (104.0837)


   

n-(dihydroxycarbonimidoyl)-n-methylmethanamine

n-(dihydroxycarbonimidoyl)-n-methylmethanamine

C3H8N2O2 (104.0586)