Exact Mass: 117.0789746

Exact Mass Matches: 117.0789746

Found 346 metabolites which its exact mass value is equals to given mass value 117.0789746, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

L-Valine

(2S)-2-amino-3-methylbutanoic acid

C5H11NO2 (117.0789746)


L-valine is the L-enantiomer of valine. It has a role as a nutraceutical, a micronutrient, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a pyruvate family amino acid, a proteinogenic amino acid, a valine and a L-alpha-amino acid. It is a conjugate base of a L-valinium. It is a conjugate acid of a L-valinate. It is an enantiomer of a D-valine. It is a tautomer of a L-valine zwitterion. Valine is a branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway. L-Valine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Valine is an aliphatic and extremely hydrophobic essential amino acid in humans related to leucine, Valine is found in many proteins, mostly in the interior of globular proteins helping to determine three-dimensional structure. A glycogenic amino acid, valine maintains mental vigor, muscle coordination, and emotional calm. Valine is obtained from soy, cheese, fish, meats and vegetables. Valine supplements are used for muscle growth, tissue repair, and energy. (NCI04) Valine (abbreviated as Val or V) is an -amino acid with the chemical formula HO2CCH(NH2)CH(CH3)2. It is named after the plant valerian. L-Valine is one of 20 proteinogenic amino acids. Its codons are GUU, GUC, GUA, and GUG. This essential amino acid is classified as nonpolar. Along with leucine and isoleucine, valine is a branched-chain amino acid. Branched chain amino acids (BCAA) are essential amino acids whose carbon structure is marked by a branch point. These three amino acids are critical to human life and are particularly involved in stress, energy and muscle metabolism. BCAA supplementation as therapy, both oral and intravenous, in human health and disease holds great promise. BCAA denotes valine, isoleucine and leucine which are branched chain essential amino acids. Despite their structural similarities, the branched amino acids have different metabolic routes, with valine going solely to carbohydrates, leucine solely to fats and isoleucine to both. The different metabolism accounts for different requirements for these essential amino acids in humans: 12 mg/kg, 14 mg/kg and 16 mg/kg of valine, leucine and isoleucine respectively. Furthermore, these amino acids have different deficiency symptoms. Valine deficiency is marked by neurological defects in the brain, while isoleucine deficiency is marked by muscle tremors. Many types of inborn errors of BCAA metabolism exist, and are marked by various abnormalities. The most common form is the maple syrup urine disease, marked by a characteristic urinary odor. Other abnormalities are associated with a wide range of symptoms, such as mental retardation, ataxia, hypoglycemia, spinal muscle atrophy, rash, vomiting and excessive muscle movement. Most forms of BCAA metabolism errors are corrected by dietary restriction of BCAA and at least one form is correctable by supplementation with 10 mg of biotin daily. BCAA are decreased in patients with liver disease, such as hepatitis, hepatic coma, cirrhosis, extrahepatic biliary atresia or portacaval shunt; aromatic amino acids (AAA) tyrosine, tryptophan and phenylalanine, as well as methionine are increased in these conditions. Valine in particular, has been established as a useful supplemental therapy to the ailing liver. All the BCAA probably compete with AAA for absorption into the brain. Supplemental BCAA with vitamin B6 and zinc help normalize the BCAA:AAA ratio. In sickle-cell disease, valine substitutes for the hydrophilic amino acid glutamic acid in hemoglobin. Because valine is hydrophobic, the hemoglobin does not fold correctly. Valine is an essential amino acid, hence it must be ingested, usually as a component of proteins. A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and ... Valine (Val) or L-valine is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (‚ÄìNH2) and carboxyl (‚ÄìCOOH) functional groups, along with a side chain (R group) specific to each amino acid. L-valine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Valine is found in all organisms ranging from bacteria to plants to animals. It is classified as a non-polar, uncharged (at physiological pH) aliphatic amino acid. Valine was first isolated from casein in 1901 by Hermann Emil Fischer. The name valine comes from valeric acid, which in turn is named after the plant valerian due to the presence of valine in the roots of the plant. Valine is essential in humans, meaning the body cannot synthesize it, and it must be obtained from the diet. Human dietary sources are foods that contain protein, such as meats, dairy products, soy products, beans and legumes. L-valine is a branched chain amino acid (BCAA). The BCAAs consist of leucine, valine and isoleucine (and occasionally threonine). BCAAs are essential amino acids whose carbon structure is marked by a branch point at the beta-carbon position. BCAAs are critical to human life and are particularly involved in stress, energy and muscle metabolism. BCAA supplementation as therapy, both oral and intravenous, in human health and disease holds great promise. BCAAs have different metabolic routes, with valine going solely to carbohydrates (glucogenic), leucine solely to fats (ketogenic) and isoleucine being both a glucogenic and a ketogenic amino acid. The different metabolism accounts for different requirements for these essential amino acids in humans: 12 mg/kg, 14 mg/kg and 16 mg/kg of valine, leucine and isoleucine respectively. Like other branched-chain amino acids, the catabolism of valine starts with the removal of the amino group by transamination, giving alpha-ketoisovalerate, an alpha-keto acid, which is converted to isobutyryl-CoA through oxidative decarboxylation by the branched-chain Œ±-ketoacid dehydrogenase complex. This is further oxidised and rearranged to succinyl-CoA, which can enter the citric acid cycle. Furthermore, these amino acids have different deficiency symptoms. Valine deficiency is marked by neurological defects in the brain, while isoleucine deficiency is marked by muscle tremors. Many types of inborn errors of BCAA metabolism exist, and are marked by various abnormalities. The most common form is the maple syrup urine disease, marked by a characteristic urinary odor. Other abnormalities are associated with a wide range of symptoms, such as mental retardation, ataxia, hypoglycemia, spinal muscle atrophy, rash, vomiting and excessive muscle movement. Most forms of BCAA metabolism errors are corrected by dietary restriction of BCAA and at least one form is correctable by supplementation with 10 mg of biotin daily. BCAA are decreased in patients with liver disease, such as hepatitis, hepatic coma, cirrhosis, extrahepatic biliary atresia or portacaval shunt. Valine in particular, has been established as a useful supplemental therapy to the ailing liver. Valine, like other branched-chain amino acids, is associated with insulin resistance: higher levels of valine are observed in the blood of diabetic mice, rats, and humans (PMID: 25287287). Mice fed a valine deprivation diet for one day have improved insulin sensitivity and feeding of a valine deprivation diet for one week significantly decreases blood glucose levels (PMID: 24684822). In diet-induced obese and insulin resistant mice, a diet with decreased levels of valine and the other branched-chain amino acids results in reduced adiposity and improved insulin sensitivity (PMID: 29266268). In sickle-cell disease, valine substitutes for the hydrophilic amino acid glutamic acid in hemoglobin. Because valine ... L-valine, also known as (2s)-2-amino-3-methylbutanoic acid or L-(+)-alpha-aminoisovaleric acid, belongs to valine and derivatives class of compounds. Those are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-valine is soluble (in water) and a moderately acidic compound (based on its pKa). L-valine can be found in watermelon, which makes L-valine a potential biomarker for the consumption of this food product. L-valine can be found primarily in most biofluids, including cerebrospinal fluid (CSF), breast milk, urine, and blood, as well as in human epidermis and fibroblasts tissues. L-valine exists in all living species, ranging from bacteria to humans. In humans, L-valine is involved in several metabolic pathways, some of which include streptomycin action pathway, tetracycline action pathway, methacycline action pathway, and kanamycin action pathway. L-valine is also involved in several metabolic disorders, some of which include methylmalonic aciduria due to cobalamin-related disorders, 3-methylglutaconic aciduria type III, isovaleric aciduria, and methylmalonic aciduria. Moreover, L-valine is found to be associated with schizophrenia, alzheimers disease, paraquat poisoning, and hypervalinemia. L-valine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Valine (abbreviated as Val or V) is an α-amino acid that is used in the biosynthesis of proteins. It contains an α-amino group (which is in the protonated −NH3+ form under biological conditions), an α-carboxylic acid group (which is in the deprotonated −COO− form under biological conditions), and a side chain isopropyl group, making it a non-polar aliphatic amino acid. It is essential in humans, meaning the body cannot synthesize it: it must be obtained from the diet. Human dietary sources are foods that contain protein, such as meats, dairy products, soy products, beans and legumes. In the genetic code it is encoded by all codons starting with GU, namely GUU, GUC, GUA, and GUG (Applies to Valine, Leucine and Isoleucine)
This group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates.
The principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic.
There are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological pr... L-Valine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7004-03-7 (retrieved 2024-06-29) (CAS RN: 72-18-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Valine (Valine) is a new nonlinear semiorganic material[1]. L-Valine (Valine) is a new nonlinear semiorganic material[1].

   

Trimethylglycine

Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt

C5H11NO2 (117.0789746)


Glycine betaine is the amino acid betaine derived from glycine. It has a role as a fundamental metabolite. It is an amino-acid betaine and a glycine derivative. It is a conjugate base of a N,N,N-trimethylglycinium. Betaine is a methyl group donor that functions in the normal metabolic cycle of methionine. It is a naturally occurring choline derivative commonly ingested through diet, with a role in regulating cellular hydration and maintaining cell function. Homocystinuria is an inherited disorder that leads to the accumulation of homocysteine in plasma and urine. Currently, no treatments are available to correct the genetic causes of homocystinuria. However, in order to normalize homocysteine levels, patients can be treated with vitamin B6 ([pyridoxine]), vitamin B12 ([cobalamin]), [folate] and specific diets. Betaine reduces plasma homocysteine levels in patients with homocystinuria. Although it is present in many food products, the levels found there are insufficient to treat this condition. The FDA and EMA have approved the product Cystadane (betaine anhydrous, oral solution) for the treatment of homocystinuria, and the EMA has approved the use of Amversio (betaine anhydrous, oral powder). Betaine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Betaine is a Methylating Agent. The mechanism of action of betaine is as a Methylating Activity. Betaine is a modified amino acid consisting of glycine with three methyl groups that serves as a methyl donor in several metabolic pathways and is used to treat the rare genetic causes of homocystinuria. Betaine has had only limited clinical use, but has not been linked to instances of serum enzyme elevations during therapy or to clinically apparent liver injury. Betaine is a natural product found in Hypoestes phyllostachya, Barleria lupulina, and other organisms with data available. Betaine is a metabolite found in or produced by Saccharomyces cerevisiae. A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341) See also: Arnica montana Flower (part of); Betaine; panthenol (component of); Betaine; scutellaria baicalensis root (component of) ... View More ... A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents Acquisition and generation of the data is financially supported in part by CREST/JST. D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; ML_ID 42 D005765 - Gastrointestinal Agents KEIO_ID B047

   

5-Aminopentanoic acid

5-Aminovaleric acid hydrochloride

C5H11NO2 (117.0789746)


5-Aminopentanoic acid (or 5-aminovalerate) is a lysine degradation product. It can be produced both endogenously or through bacterial catabolism of lysine. 5-aminovalerate is formed via the following multi-step reaction: L-lysine leads to cadverine leads to L-piperideine leads 5-aminovalerate (PMID:405455). In other words it is a metabolite of cadaverine which is formed via the intermediate, 1-piperideine (PMID:6436440). Cadaverine is a foul-smelling diamine compound produced by protein hydrolysis during putrefaction of animal tissue. High levels of 5-aminovalerate in biofluids may indicate bacterial overgrowth or endogenous tissue necrosis. In most cases endogenous 5-aminovalerate is thought to be primarily a microbial metabolite produced by the gut or oral microflora, although it can be produced endogenously. 5-aminovalerate is a normal metabolite present in human saliva, with a tendency to elevated concentration in patients with chronic periodontitis. Bacterial contamination and decomposition of salivary proteins is primarily responsible for elevated salivary levels (PMID 3481959). Beyond being a general waste product, 5-aminovalerate is also believed to act as a methylene homologue of gamma-aminobutyric acid (GABA) and functions as a weak GABA agonist (PMID:4031870). It is also known as an antifibrinolytic amino acid analog and so it functions as a weak inhibitor of the blood clotting pathway (PMID:6703712). 5- aminovalerate is an in vivo substrate of 4-aminobutyrate:2-oxoglutarate aminotransferase (PMID:4031870). It can be found in Corynebacterium (PMID:27717386). 5-aminopentanoic acid is a normal metabolite present in human saliva, with a tendency to elevated concentration in patients with chronic periodontitis. Bacterial contamination and decomposition of salivary proteins is responsible for the elevated salivary levels (PMID 3481959) [HMDB] 5-Aminovaleric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=660-88-8 (retrieved 2024-07-17) (CAS RN: 660-88-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 5-Aminovaleric acid is believed to act as a methylene homologue of gamma-aminobutyric acid (GABA) and functions as a weak GABA agonist.

   

Guanidinoacetate

2-[[Amino(imino)methyl]amino]acetic acid

C3H7N3O2 (117.0538242)


Guanidoacetic acid (GAA), also known as guanidinoacetate or glycocyamine, belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Guanidinoacetic acid was first prepared in 1861 by Adolph Strecker by reaction of cyanamide with glycine in aqueous solution. Manufactured guanidinoacetic acid is primarily used a feed additive approved by EFSA in poultry farming (for fattening), and pigs for fattening. Guanidoacetic acid exists naturally in all vertebrates. It is formed primarily in the kidneys by transferring the guanidine group of L-arginine to the amino acid glycine via the enzyme known as L-Arg:Gly-amidinotransferase (AGAT). In a further step, guanidinoacetate is methylated to generate creatine using S-adenosyl methionine (as the methyl donor) via the enzyme known as guanidinoacetate N-methyltransferase (GAMT). The resulting creatine is released into the bloodstream. Elevated levels of guanidoacetic acid are a characteristic of an inborn metabolic disorder known as Guanidinoacetate Methyltransferase (GAMT) Deficiency. GAMT converts guanidinoacetate to creatine and deficiency of this enzyme results in creatine depletion and accumulation of guanidinoacetate The disorder is transmitted in an autosomal recessive fashion and is localized to mutations on chromosome 19p13.3. GAMT deficiency is characterized by developmental arrest, medication-resistant epilepsy (myoclonic, generalized tonic-clonic, partial complex, atonic), severe speech impairment, progressive dystonia, dyskinesias, hypotonia, ataxia, and autistic-like behavior. Guanidino acetic acid, also known as guanidinoacetate or glycocyamine, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Guanidino acetic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Guanidino acetic acid can be found in apple and loquat, which makes guanidino acetic acid a potential biomarker for the consumption of these food products. Guanidino acetic acid can be found primarily in most biofluids, including cellular cytoplasm, feces, urine, and cerebrospinal fluid (CSF), as well as in human brain, kidney and liver tissues. In humans, guanidino acetic acid is involved in a couple of metabolic pathways, which include arginine and proline metabolism and glycine and serine metabolism. Guanidino acetic acid is also involved in several metabolic disorders, some of which include dihydropyrimidine dehydrogenase deficiency (DHPD), hyperprolinemia type II, prolinemia type II, and hyperornithinemia-hyperammonemia-homocitrullinuria [hhh-syndrome]. Moreover, guanidino acetic acid is found to be associated with chronic renal failure and schizophrenia. Guanidino acetic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Chronic Exposure: Kidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels Acquisition and generation of the data is financially supported in part by CREST/JST.

   

Indole

2,3-Benzopyrrole

C8H7N (117.0578462)


Indole is an aromatic heterocyclic organic compound. It has a bicyclic structure, consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. The participation of the nitrogen lone electron pair in the aromatic ring means that indole is not a base, and it does not behave like a simple amine. Indole is a microbial metabolite and it can be produced by bacteria as a degradation product of the amino acid tryptophan. It occurs naturally in human feces and has an intense fecal smell. At very low concentrations, however, indole has a flowery smell and is a constituent of many flower scents (such as orange blossoms) and perfumes. As a volatile organic compound, indole has been identified as a fecal biomarker of Clostridium difficile infection (PMID: 30986230). Natural jasmine oil, used in the perfume industry, contains around 2.5\\\\\% of indole. Indole also occurs in coal tar. Indole has been found to be produced in a number of bacterial genera including Alcaligenes, Aspergillus, Escherichia, and Pseudomonas (PMID: 23194589, 2310183, 9680309). Indole plays a role in bacterial biofilm formation, bacterial motility, bacterial virulence, plasmid stability, and antibiotic resistance. It also functions as an intercellular signalling molecule (PMID: 26115989). Recently, it was determined that the bacterial membrane-bound histidine sensor kinase (HK) known as CpxA acts as a bacterial indole sensor to facilitate signalling (PMID: 31164470). It has been found that decreased indole concentrations in the gut promote bacterial pathogenesis, while increased levels of indole in the gut decrease bacterial virulence gene expression (PMID: 31164470). As a result, enteric pathogens sense a gradient of indole concentrations in the gut to migrate to different niches and successfully establish an infection. Constituent of several flower oils, especies of Jasminum and Citrus subspecies (Oleaceae) production of bacterial dec. of proteins. Flavouring ingredientand is also present in crispbread, Swiss cheese, Camembert cheese, wine, cocoa, black and green tea, rum, roasted filbert, rice bran, clary sage, raw shrimp and other foodstuffs Indole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=120-72-9 (retrieved 2024-07-16) (CAS RN: 120-72-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Indole is an endogenous metabolite. Indole is an endogenous metabolite.

   

Norvaline

alpha -DL-Aminopentanoic acid

C5H11NO2 (117.0789746)


Norvaline is a non-proteinogenic branched-chain amino acid with the chemical formula C5H11NO2, isomeric with valine. It has previously been reported to be a natural component of an antifungal peptide of Bacillus subtilis. Norvaline and other modified branched chain amino acids have received attention in recent studies, as they appear to be incorporated in some recombinant proteins found in E. coli. This amino acid is often made synthetically. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

   

Isovaline

(S)-2-AMINO-2-METHYLBUTYRIC ACID

C5H11NO2 (117.0789746)


KEIO_ID A189

   

L-Aspartate-semialdehyde

L-Aspartic acid beta-semialdehyde

C4H7NO3 (117.0425912)


L-Aspartate-semialdehyde (CAS: 15106-57-7) is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways. In the lysine biosynthesis I pathway, L-aspartate-semialdehyde is produced from a reaction between L-aspartyl-4-phosphate and NADPH, with phosphate and NADP+ as byproducts. The reaction is catalyzed by aspartate-semialdehyde dehydrogenase. L-Aspartate-semialdehyde reacts with pyruvate to produce L-2,3-dihydrodipicolinate and water. Dihydrodipicolinate synthase catalyzes this reaction. In the homoserine biosynthesis pathway, L-aspartate-semialdehyde is produced from a reaction between L-aspartyl-4-phosphate and NADPH, with phosphate and NADP+ as byproducts. The reaction is catalyzed by aspartate-semialdehyde dehydrogenase. L-Aspartate-semialdehyde reacts with NAD(P)H and H+ to form homoserine and NAD(P)+. L-Aspartate-semialdehyde is involved in both the lysine biosynthesis I and homoserine biosynthesis pathways.

   

2-Amino-acetoacetate

2-amino-3-oxobutanoic acid

C4H7NO3 (117.0425912)


   

Amyl Nitrite

Isopentyl nitrite

C5H11NO2 (117.0789746)


Amyl Nitrite is an antihypertensive medicine. Amyl nitrite is employed medically to treat heart diseases such as angina and to treat cyanide poisoning. Like other alkyl nitrites, amyl nitrite is bioactive in mammals, being a vasodilator which is the basis of its use as a prescription medicine. As an inhalant, it also has psychoactive effect which has led to illegal drug use. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

4-Methylaminobutyrate

4-(Methylamino)butanoic acid

C5H11NO2 (117.0789746)


   

Benzeneacetonitrile

laquo omegaraquo -Cyanotoluene

C8H7N (117.0578462)


Isolated from oil of garden cress (Lepidium sativum) and other plant oils. Benzeneacetonitrile is found in many foods, some of which are peppermint, garden tomato (variety), papaya, and kohlrabi. Benzeneacetonitrile is found in garden cress. Benzeneacetonitrile is isolated from oil of garden cress (Lepidium sativum) and other plant oils.

   

1-Ethyl-1-nitrosourea

N-(C-hydroxycarbonimidoyl)-N-nitrosoethan-1-amine

C3H7N3O2 (117.0538242)


D009676 - Noxae > D000477 - Alkylating Agents

   

(Z)-2-methyl-peroxyaminoacrylate

(2Z)-3-amino-2-methylprop-2-eneperoxoic acid

C4H7NO3 (117.0425912)


(z)-2-methyl-peroxyaminoacrylate, also known as (Z)-2-hydroxy-3-peroxyaminoacrylic acid, is a member of the class of compounds known as peroxycarboxylic acids. Peroxycarboxylic acids are organic acids with the general formula [H]OOC(R)=O (R = H, organyl group) (z)-2-methyl-peroxyaminoacrylate is soluble (in water) and a very weakly acidic compound (based on its pKa). (z)-2-methyl-peroxyaminoacrylate can be found in a number of food items such as common buckwheat, alaska blueberry, tinda, and common pea, which makes (z)-2-methyl-peroxyaminoacrylate a potential biomarker for the consumption of these food products (z)-2-methyl-peroxyaminoacrylate may be a unique E.coli metabolite.

   

L-2-Amino-3-oxobutanoic acid

(2S)-2-amino-3-Oxobutanoic acid

C4H7NO3 (117.0425912)


L-2-Amino-3-oxobutanoic acid or L-2-amino acetic acid is involved in glycine/serine metabolism and is a breakdown product from glycine. It spontaneously decomposes to aminoacetone. Delta-aminolevuliinate synthase is the enzyme that catalyzes the interconversion between glycine and L-2-amino-3-oxobutanoic acid. Glycine C-acetyltransferase is also capable of catalyzing this reaction. [HMDB] L-2-Amino-3-oxobutanoic acid or L-2-amino acetic acid is involved in glycine/serine metabolism and is a breakdown product from glycine. It spontaneously decomposes to aminoacetone. Delta-aminolevuliinate synthase is the enzyme that catalyzes the interconversion between glycine and L-2-amino-3-oxobutanoic acid. Glycine C-acetyltransferase is also capable of catalyzing this reaction.

   

D-Valine

2-Amino-3-methylbutanoic acid

C5H11NO2 (117.0789746)


Flavouring ingredient

   

D-Valine

H-D-Val-OH

C5H11NO2 (117.0789746)


The D-enantiomer of valine.

   

Norvaline

(S)-2-Aminopentanoic acid

C5H11NO2 (117.0789746)


A 2-aminopentanoic acid that has S-configuration. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID N009

   

N-Acetylglycine

N-Acetylglycine sodium salt

C4H7NO3 (117.0425912)


N-Acetyl-glycine or N-Acetylglycine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylglycine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylglycine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid glycine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylglycine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free glycine can also occur. In particular, N-Acetylglycine can be biosynthesized from glycine and acetyl-CoA by the enzyme glycine N-acyltransferase (GLYAT) (EC 2.3.1.13). Excessive amounts N-acetyl amino acids including N-acetylglycine (as well as N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, Nacetylmethionine and smaller amounts of N-acetylthreonine, N-acetylleucine, N-acetylvaline and N-acetylisoleucine) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylglycine, are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-Acetylglycine is used is in biological research of peptidomimetics. It is used as the blocking agent of the N-terminus to prepare unnatural and unusual amino acids and amino acid analogs as well as to modify peptides. N-Substituted glycine analogs are widely used in peptidomimetics and drug research. Excessive amounts N-acetyl amino acids including N-acetylglycine (as well as N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylalanine, Nacetylmethionine and smaller amounts of N-acetylthreonine, N-acetylleucine, N-acetylvaline and N-acetylisoleucine) can be detected in the urine with individuals with Acylase I defiency. This enzyme is involved in the degradation of N-acylated proteins. Individuals with this disorder will experience convulsions, hearing loss ond difficulty feeding. [HMDB] N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

N-Methyl-a-aminoisobutyric acid

2-Methyl-2-(methylazaniumyl)propanoate

C5H11NO2 (117.0789746)


N-Methyl-a-aminoisobutyric acid, also known as 2-(methylamino)isobutyrate or AMAIB, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). N-Methyl-a-aminoisobutyric acid is a drug. N-Methyl-a-aminoisobutyric acid is a metabolite that is actively incorporated into the cell by the actions of Interleukin 1-beta and Interleukin 6 via sodium dependent transport systems (PMID 16202926). N-Methyl-a-aminoisobutyric acid is a metabolite that is actively incorporated into the cell by the actions of Interleukin 1-beta and Interleukin 6 via sodium dependent transport systems (PMID 16202926) [HMDB]

   

2-Diethylaminoethanol

Ethanol, 2-(dimethylamino)-, hydrochloride (1:1)

C6H15NO (117.115358)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Boiler water additive. Boiler water additive

   

Betaine

(carboxymethyl)trimethylazanium

C5H11NO2 (117.0789746)


Betaine (CAS: 107-43-7), also known as N,N,N-trimethylglycine, was named after its discovery in sugar beet (Beta vulgaris) in the 19th century. It is a small N-trimethylated amino acid, existing in zwitterionic form at neutral pH. It is now often called glycine betaine to distinguish it from other betaines that are widely distributed in microorganisms, plants, and animals. Many naturally occurring betaines serve as organic osmolytes, substances synthesized or taken up from the environment by cells for protection against osmotic stress, drought, high salinity, or high temperature. Intracellular accumulation of betaines permits water retention in cells, thus protecting from the effects of dehydration (Wikipedia). Betaine functions as a methyl donor in that it carries and donates methyl functional groups to facilitate necessary chemical processes. In particular, it methylates homocysteine to methionine, also producing N,N-dimethylglycine. The donation of methyl groups is important to proper liver function, cellular replication, and detoxification reactions. Betaine also plays a role in the manufacture of carnitine and serves to protect the kidneys from damage. Betaine comes from either the diet or by the oxidation of choline. Betaine insufficiency is associated with metabolic syndrome, lipid disorders, and diabetes, and may have a role in vascular and other diseases (PMID: 20346934). Betaine is important in development, from the pre-implantation embryo to infancy. Betaine is also widely regarded as an anti-oxidant. Betaine has been shown to have an inhibitory effect on NO release in activated microglial cells and may be an effective therapeutic component to control neurological disorders (PMID: 22801281). As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances (Martindale, The Extra Pharmacopoeia, 30th Ed, p1341). Betaine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=107-43-7 (retrieved 2024-07-01) (CAS RN: 107-43-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

Vaporole

Nitrous acid, 3-methylbutyl ester

C5H11NO2 (117.0789746)


Isoamyl nitrite (IAN) has been used as antianginal agents for more than 100 years. It is now established that IAN cause direct vasorelaxation through vascular generation of NO and relaxation via a cyclic guanosine monophosphate-dependent process. (PMID: 8996213). IAN is a member of the family of volatile organic nitrites that exert vasodilatory effects and have recently exhibited a considerable potential for inhalation abuse. (PMID: 9829558). All nitrovasodilators act intracellularly by a common molecular mechanism. This is characterized by the release of nitric oxide (NO). This process basically depends on the presence of oxygen as electron acceptor from the sydnonimine molecule. Organic nitrites (such as IAN) require the interaction with a mercapto group to form a S-nitrosothiol intermediate, from which finally NO radicals are liberated. In the presence of thiol compounds organic nitrites (e.g., IAN) and nitrosothiols may act as intermediary products of NO generation. (PMID: 1683227). Isoamyl nitrite (IAN) has been used as antianginal agents for more than 100 years. It is now established that IAN cause direct vasorelaxation through vascular generation of NO and relaxation via a cyclic guanosine monophosphate-dependent process. (PMID: 8996213) C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

   

(3S)-3-Amino-4-oxobutanoic acid

(3S)-3-Amino-4-oxobutanoic acid

C4H7NO3 (117.0425912)


   

Isoindole

2H-isoindole

C8H7N (117.0578462)


   

3-Amino-2,2-dimethylpropanoic acid

3-Amino-2,2-dimethylpropanoic acid

C5H11NO2 (117.0789746)


   

3-Amino-3-methylbutanoic acid

3-Amino-3-methylbutanoic acid

C5H11NO2 (117.0789746)


   

1-(Diethylamino)ethanol

1-(diethylamino)ethan-1-ol

C6H15NO (117.115358)


   

3-Phenyl-2-propenyl

1-phenylprop-2-en-1-yl

C9H9 (117.0704214)


   

DL-Norvaline

alpha-DL-Aminopentanoic acid

C5H11NO2 (117.0789746)


Norvaline, also known as alpha-aminovaleric acid or A-aminovalerate, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Norvaline is soluble (in water) and a moderately acidic compound (based on its pKa). Norvaline can be synthesized from valeric acid. Norvaline can also be synthesized into 3-hydroxynorvaline and 2-amino-5-phosphonopentanoic acid. Norvaline can be found in blackcurrant and common buckwheat, which makes norvaline a potential biomarker for the consumption of these food products. Norvaline (abbreviated as Nva) is an amino acid with the formula CH3(CH2)2CH(NH2)CO2H. The compound is an isomer of the more common amino acid valine. Like most other α-amino acids, norvaline is chiral. It is a white, water-soluble solid . DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

   

n-ethyl-n'-nitrosourea

n-ethyl-n-nitrosourea

C3H7N3O2 (117.0538242)


   

(Diaminomethylideneamino) acetate

(Diaminomethylideneamino) acetic acid

C3H7N3O2 (117.0538242)


   

Succinamic acid

3-carbamoylpropanoic acid

C4H7NO3 (117.0425912)


   

Tert-Butyl carbamate

(Tert-butoxy)carboximidate

C5H11NO2 (117.0789746)


   

Triethylamine N-oxide

N,N-diethylethanamine oxide

C6H15NO (117.115358)


   

2R-Hydroxymethyl-3S-hydroxypyrolidine

(2R,3S)-2-(Hydroxymethyl)-3-hydroxypyrrolidine

C5H11NO2 (117.0789746)


   

Valine

L-Valine

C5H11NO2 (117.0789746)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Valine (Valine) is a new nonlinear semiorganic material[1]. L-Valine (Valine) is a new nonlinear semiorganic material[1].

   

leucinol

(S)-2-Amino-4-methyl-1-pentanol, 2-Amino-4-methyl-1-pentanol

C6H15NO (117.115358)


   

2R-Hydroxymethyl-3S-hydroxypyrrolidine

(+)-2R,3S)-2-(Hydroxymethyl)-3-hydroxypyrrolidine

C5H11NO2 (117.0789746)


   

Oxetin

(2R-cis)-3-Amino-2-oxetanecarboxylic acid

C4H7NO3 (117.0425912)


   

Guanidinoacetate

2-Guanidinoacetic acid

C3H7N3O2 (117.0538242)


   

Benzyl cyanide

Benzeneacetonitrile

C8H7N (117.0578462)


A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.

   

Betaine

2-(trimethylazaniumyl)acetate

C5H11NO2 (117.0789746)


Betaine or trimethylglycine is a methylated derivative of glycine. It functions as a methyl donor in that it carries and donates methyl functional groups to facilitate necessary chemical processes. The donation of methyl groups is important to proper liver function, cellular replication, and detoxification reactions. Betaine also plays a role in the manufacture of carnitine and serves to protect the kidneys from damage. Betaine has also been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th Ed, p1341). Betaine is found in many foods, some of which are potato puffs, poppy, hazelnut, and garden cress. Betaine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=107-43-7 (retrieved 2024-06-28) (CAS RN: 107-43-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

2-Cyclohexylethylamine

2-Cyclohexylethylamine

C8H7N (117.0578462)


   

4-Ethynylaniline

4-Ethynylaniline

C8H7N (117.0578462)


   

4-Methylmorpholine N-oxide

4-Methylmorpholine N-oxide

C5H11NO2 (117.0789746)


   

2-cyanotoluene|2-methylbenzonitrile|2-tolylnitrile|methylbenzonitrile|o-cyanotoluene|o-methylbenzonitrile|o-Tolunitrile

2-cyanotoluene|2-methylbenzonitrile|2-tolylnitrile|methylbenzonitrile|o-cyanotoluene|o-methylbenzonitrile|o-Tolunitrile

C8H7N (117.0578462)


   

Nitrile-3-Methylbenzoic acid

Nitrile-3-Methylbenzoic acid

C8H7N (117.0578462)


   

2-(Butylamino)ethanol

2-(Butylamino)ethanol

C6H15NO (117.115358)


   

N,N-Dimethylglycine methyl ester

N,N-Dimethylglycine methyl ester

C5H11NO2 (117.0789746)


   

methylmalonic monoamide

methylmalonic monoamide

C4H7NO3 (117.0425912)


   

2-hydroxy-3-methylbutanamide

2-hydroxy-3-methylbutanamide

C5H11NO2 (117.0789746)


   

methyl 3-aminobutanoate

methyl 3-aminobutanoate

C5H11NO2 (117.0789746)


   

1-(DIMETHYLAMINO)-2-METHYLPROPAN-2-OL

1-(DIMETHYLAMINO)-2-METHYLPROPAN-2-OL

C6H15NO (117.115358)


   

(2S,4S)-2-Amino-4-hydroxypentanoic acid

(2S,4S)-2-Amino-4-hydroxypentanoic acid

C5H11NO2 (117.0789746)


   

SUCCINAMIC ACID

Butanoic acid,4-amino-4-oxo-

C4H7NO3 (117.0425912)


A dicarboxylic acid monoamide of succinic acid.

   
   

3-Hydroxy-2-(hydroxymethyl)pyrrolidine

3-Hydroxy-2-(hydroxymethyl)pyrrolidine

C5H11NO2 (117.0789746)


   

2-hydroxy-2-methylbutanamide

2-hydroxy-2-methylbutanamide

C5H11NO2 (117.0789746)


   
   

3-Aminooxetane-2-carboxylic acid

3-Aminooxetane-2-carboxylic acid

C4H7NO3 (117.0425912)


   

Nitrile-4-Methylbenzoic acid

Nitrile-4-Methylbenzoic acid

C8H7N (117.0578462)


   

2-(methylamino)butanoic acid

2-(methylamino)butanoic acid

C5H11NO2 (117.0789746)


   

1-(2-hydroxyethyl)-1-methylguanidine

1-(2-hydroxyethyl)-1-methylguanidine

C4H11N3O (117.0902076)


   

3-(Dimethylamino)propanoicacid

3-(dimethylamino)propanoic acid

C5H11NO2 (117.0789746)


   

Glycine-Betaine

Glycine-Betaine

C5H11NO2 (117.0789746)


IPB_RECORD: 1044; CONFIDENCE confident structure

   

Valine

poly-l-valine

C5H11NO2 (117.0789746)


A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. Acquisition and generation of the data is financially supported by the Max-Planck-Society L-Valine (Valine) is a new nonlinear semiorganic material[1]. L-Valine (Valine) is a new nonlinear semiorganic material[1].

   

Ac-Gly-OH

N-ACETYLGLYCINE

C4H7NO3 (117.0425912)


An N-acylglycine where the acyl group is specified as acetyl. Acquisition and generation of the data is financially supported in part by CREST/JST. N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

L-Valine

L-Valine

C5H11NO2 (117.0789746)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KZSNJWFQEVHDMF_STSL_0100_Valine_8000fmol_180506_S2_LC02_MS02_131; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. L-Valine (Valine) is a new nonlinear semiorganic material[1]. L-Valine (Valine) is a new nonlinear semiorganic material[1].

   
   

5-Aminopentanoate

5-Aminovaleric acid

C5H11NO2 (117.0789746)


5-Aminovaleric acid is believed to act as a methylene homologue of gamma-aminobutyric acid (GABA) and functions as a weak GABA agonist.

   

Indole

1H-indole

C8H7N (117.0578462)


Indole is an endogenous metabolite. Indole is an endogenous metabolite.

   

5-Aminovaleric acid

5-Aminopentanoic acid

C5H11NO2 (117.0789746)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JJMDCOVWQOJGCB-UHFFFAOYSA-N_STSL_0196_5-Aminovaleric acid_0500fmol_180831_S2_L02M02_26; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. 5-Aminovaleric acid is believed to act as a methylene homologue of gamma-aminobutyric acid (GABA) and functions as a weak GABA agonist.

   

glycocyamine

2-Guanidinoacetic acid

C3H7N3O2 (117.0538242)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; BPMFZUMJYQTVII-UHFFFAOYSA-N_STSL_0241_Glycocyamine_1000fmol_190403_S2_LC02MS02_057; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

Betasyamine

2-Guanidinoacetic acid

C3H7N3O2 (117.0538242)


   

Guanidoacetic acid

2-Guanidinoacetic acid

C3H7N3O2 (117.0538242)


   

Acetylglycine

Acetylglycine

C4H7NO3 (117.0425912)


N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

N,2-Dimethylalanine

N-Methyl-a-aminoisobutyric acid

C5H11NO2 (117.0789746)


   

Guanidinoacetic acid

Guanidinoacetic acid

C3H7N3O2 (117.0538242)


The N-amidino derivative of glycine.

   

N-ACETYLGLYCINE

N-ACETYLGLYCINE

C4H7NO3 (117.0425912)


   

Betaine; CE30

Betaine; CE30

C5H11NO2 (117.0789746)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KWIUHFFTVRNATP-UHFFFAOYSA-N_STSL_0018_Betaine_0500fmol_180407_S2_LC02_MS02_57; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

   

4-Methylmorpholine-N-oxide

4-Methylmorpholine-N-oxide

C5H11NO2 (117.0789746)


CONFIDENCE standard compound; INTERNAL_ID 2484

   

Guanidoacetic acid; LC-tDDA; CE20

Guanidoacetic acid; LC-tDDA; CE20

C3H7N3O2 (117.0538242)


   

Guanidoacetic acid; LC-tDDA; CE10

Guanidoacetic acid; LC-tDDA; CE10

C3H7N3O2 (117.0538242)


   

Guanidineacetic acid

Guanidineacetic acid

C3H7N3O2 (117.0538242)


   

5-Aminopentanoic acid

Pentanoic acid, 4-amino-, (S)-

C5H11NO2 (117.0789746)


A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist.

   
   

METHYL 4-AMINOBUTYRATE

METHYL 4-AMINOBUTYRATE

C5H11NO2 (117.0789746)


   

4R-aminopentanoic acid

Valeric acid, 4-amino-, (R)-(+)-

C5H11NO2 (117.0789746)


   

4S-aminopentanoic acid

Pentanoic acid, 4-amino-, (S)-

C5H11NO2 (117.0789746)


   

4-amino-pentanoic acid

(RS)-4-Methyl-gamma-aminobutyric acid

C5H11NO2 (117.0789746)


   

4-Ethynylaniline

4-Ethynylaniline

C8H5NH2 (117.0578462)


   

Aceturic acid

Aceturic acid

C4H7NO3 (117.0425912)


N-Acetylglycine (Aceturic acid) is a minor constituent of numerous foods with no genotoxicity or acute toxicity. N-acetylglycine is used in biological research of peptidomimetics.

   

N-Methyl-a-aminoisobutyric acid

N-Methyl-a-aminoisobutyric acid

C5H11NO2 (117.0789746)


   

2-Amino-3-methylbutanoic acid

2-Amino-3-methylbutanoic acid

C5H11NO2 (117.0789746)


   

&alpha

DL-alpha-Amino-N-valenic acid

C5H11NO2 (117.0789746)


DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

   

Dehydasal

2-Diethylaminoethanol [UN2686] [Corrosive]

C6H15NO (117.115358)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

L-2-Amino-3-oxobutanoic acid

L-2-Amino-3-oxobutanoic acid

C4H7NO3 (117.0425912)


   

3-(Dimethylamino)-2-methylpropan-1-ol

3-(Dimethylamino)-2-methylpropan-1-ol

C6H15NO (117.115358)


   

1-Butanol,3-(dimethylamino)-

1-Butanol,3-(dimethylamino)-

C6H15NO (117.115358)


   

3-(Ethylamino)butan-1-ol

3-(Ethylamino)butan-1-ol

C6H15NO (117.115358)


   

4-(Dimethylamino)-1-butanol

4-(Dimethylamino)-1-butanol

C6H15NO (117.115358)


   

Ethanamine, 2-ethoxy-N,N-dimethyl-, (9CL)

Ethanamine, 2-ethoxy-N,N-dimethyl-, (9CL)

C6H15NO (117.115358)


   

4-Aminobenzocyclobutene

4-Aminobenzocyclobutene

C8H7N (117.0578462)


   

2-Dimethylamino-1,3-dioxolane

2-Dimethylamino-1,3-dioxolane

C5H11NO2 (117.0789746)


   

3-Morpholinylmethanol

3-Morpholinylmethanol

C5H11NO2 (117.0789746)


   

2-(1,3-Dioxolan-2-yl)ethanamine

2-(1,3-Dioxolan-2-yl)ethanamine

C5H11NO2 (117.0789746)


   
   
   

4-Morpholinylmethanol

4-Morpholinylmethanol

C5H11NO2 (117.0789746)


   

2-Pentanol,4-amino-4-methyl-

2-Pentanol,4-amino-4-methyl-

C6H15NO (117.115358)


   

3-Aminooxetane-3-carboxylic acid

3-Aminooxetane-3-carboxylic acid

C4H7NO3 (117.0425912)


   

3-Aminopentanoic acid

3-AMINO-PENTANOIC ACID

C5H11NO2 (117.0789746)


   

N-(2-METHOXYETHYL)ISOPROPYLAMINE

N-(2-METHOXYETHYL)ISOPROPYLAMINE

C6H15NO (117.115358)


   

o-Tolunitrile

o-Tolunitrile

C8H7N (117.0578462)


   

2-Tolylisocyanide

O-TOLYL ISOCYANIDE

C8H7N (117.0578462)


   

2-(dimethylamino)propanoic acid

2-(dimethylamino)propanoic acid

C5H11NO2 (117.0789746)


   

p-Tolunitrile

p-Tolunitrile

C8H7N (117.0578462)


   
   

2-(AMINOMETHYL)-2-METHYL-1 3-PROPANE-

2-(AMINOMETHYL)-2-METHYL-1 3-PROPANE-

C5H15N3 (117.12659099999999)


   

[ethyl(methyl)amino]acetic acid

[ethyl(methyl)amino]acetic acid

C5H11NO2 (117.0789746)


   

3-[Ethyl(methyl)amino]propan-1-ol

3-[Ethyl(methyl)amino]propan-1-ol

C6H15NO (117.115358)


   

1,3,5-Triazinane-2-thione

1,3,5-Triazinane-2-thione

C3H7N3S (117.0360662)


   

Ethyl dimethylcarbamate

Ethyl dimethylcarbamate

C5H11NO2 (117.0789746)


   

2-Amino-1-hexanol

2-Amino-1-hexanol

C6H15NO (117.115358)


   

methyl 2-(ethylamino)acetate

methyl 2-(ethylamino)acetate

C5H11NO2 (117.0789746)


   

(1R,2R)-2-Fluorocyclohexanamine

(1R,2R)-2-Fluorocyclohexanamine

C6H12FN (117.09537239999999)


   

Methyl 3-amino-2-methylpropanoate

Methyl 3-amino-2-methylpropanoate

C5H11NO2 (117.0789746)


   

deuterio(triethyl)silane

deuterio(triethyl)silane

C6H15DSi (117.108398778)


   

2-azanyl-3-methylbutanoic acid

2-azanyl-3-methylbutanoic acid

C5H11NO2 (117.0789746)


   

2-methylaminomethyl-1,3-dioxolane

2-methylaminomethyl-1,3-dioxolane

C5H11NO2 (117.0789746)


   

3-methylbutyl nitrite

3-methylbutyl nitrite

C5H11NO2 (117.0789746)


   

methyl 2-formamidoacetate

methyl 2-formamidoacetate

C4H7NO3 (117.0425912)


   

2-phenylacetonitrile

2-phenylacetonitrile

C8H7N (117.0578462)


   

N,N-Dimethylnitrosourea

N,N-Dimethylnitrosourea

C3H7N3O2 (117.0538242)


   

2-(Dimethylamino)-2-oxoacetic acid

2-(Dimethylamino)-2-oxoacetic acid

C4H7NO3 (117.0425912)


   

2-[Methyl(propan-2-yl)amino]ethanol

2-[Methyl(propan-2-yl)amino]ethanol

C6H15NO (117.115358)


   

3-Fluoro-4-piperidinone

3-Fluoro-4-piperidinone

C5H8FNO (117.058989)


   

(S)-tert-Leucinol

(S)-tert-Leucinol

C6H15NO (117.115358)


   

1-isocyano-4-methylbenzene

1-isocyano-4-methylbenzene

C8H7N (117.0578462)


   

2-Ethynyl-6-methylpyridine

2-Ethynyl-6-methylpyridine

C8H7N (117.0578462)


   

N-trimethylsilylethanamine

N-trimethylsilylethanamine

C5H15NSi (117.097371)


   

l-norleucinol

l-norleucinol

C6H15NO (117.115358)


   

2-Amino-1,5-anhydro-2,4-dideoxy-D-threo-Pentitol

2-Amino-1,5-anhydro-2,4-dideoxy-D-threo-Pentitol

C5H11NO2 (117.0789746)


   

azetidine-3,3-dimethanol

azetidine-3,3-dimethanol

C5H11NO2 (117.0789746)


   

2-dimethylamino-2-methyl-1-propanol

2-dimethylamino-2-methyl-1-propanol

C6H15NO (117.115358)


   

L-isoleucinol

(2S,3S)-2-amino-3-methylpentan-1-ol

C6H15NO (117.115358)


   

Methyl N,N-dimethylglycinate

Methyl N,N-dimethylglycinate

C5H11NO2 (117.0789746)


   

3-n-propoxypropylamine

3-n-propoxypropylamine

C6H15NO (117.115358)


   
   

n-(2-Methoxyethyl)-n-Propylamine

n-(2-Methoxyethyl)-n-Propylamine

C6H15NO (117.115358)


   

O-(Tetrahydropyran-2-yl)-hydroxylamine

O-(Tetrahydropyran-2-yl)-hydroxylamine

C5H11NO2 (117.0789746)


   

3-Hydroxy-N,N-dimethylpropanamide

3-Hydroxy-N,N-dimethylpropanamide

C5H11NO2 (117.0789746)


   

DL-Valine (1-13C)

DL-Valine (1-13C)

C5H11NO2 (117.0789746)


   

(3S,4R)-PIPERIDINE-3,4-DIOL

(3S,4R)-PIPERIDINE-3,4-DIOL

C5H11NO2 (117.0789746)


   

1H-pyrrole-2,4-dicarbonitrile

1H-pyrrole-2,4-dicarbonitrile

C6H3N3 (117.0326958)


   

2-(DIMETHYLAMINO)-N-HYDROXYACETIMIDAMIDE

2-(DIMETHYLAMINO)-N-HYDROXYACETIMIDAMIDE

C4H11N3O (117.0902076)


   

2,4,6-Cycloheptatriene-1-carbonitrile

2,4,6-Cycloheptatriene-1-carbonitrile

C8H7N (117.0578462)


   

1H-Cyclopenta[b]pyridine

1H-Cyclopenta[b]pyridine

C8H7N (117.0578462)


   

TERT-BUTYL (3-BROMO-2-OXOPROPYL)CARBAMATE

TERT-BUTYL (3-BROMO-2-OXOPROPYL)CARBAMATE

C5H11NO2 (117.0789746)


   

(r)-tert-leucinol

(r)-tert-leucinol

C6H15NO (117.115358)


   

DL-2-AMINO-1-HEXANOL

DL-2-AMINO-1-HEXANOL

C6H15NO (117.115358)


   

[1-(2-fluoroethyl)cyclopropyl]methanamine

[1-(2-fluoroethyl)cyclopropyl]methanamine

C6H12FN (117.09537239999999)


   

2-(1,3-oxazolidin-3-yl)ethanol

2-(1,3-oxazolidin-3-yl)ethanol

C5H11NO2 (117.0789746)


   

5h-cyclopenta[b]pyridine

5h-cyclopenta[b]pyridine

C8H7N (117.0578462)


   

n-(2-aminoethyl)-1,3-propanediamine

n-(2-aminoethyl)-1,3-propanediamine

C5H15N3 (117.12659099999999)


   

Propanamide,N-(2-hydroxyethyl)-

Propanamide,N-(2-hydroxyethyl)-

C5H11NO2 (117.0789746)


   

4-OXAZOLIDINECARBOXYLIC ACID

4-OXAZOLIDINECARBOXYLIC ACID

C4H7NO3 (117.0425912)


   

N,N-Dimethyl-L-Alanine

N(alpha),N(alpha)-Dimethylalanine

C5H11NO2 (117.0789746)


A methyl-L-alanine in which both the amino hydrogens of L-alanine are replaced by methyl groups.

   

2-Methyl-4-(MethylaMino)butan-2-ol

2-Methyl-4-(MethylaMino)butan-2-ol

C6H15NO (117.115358)


   

3-(propan-2-ylamino)propan-1-ol

3-(propan-2-ylamino)propan-1-ol

C6H15NO (117.115358)


   

3-methylbenzonitrile

3-methylbenzonitrile

C8H7N (117.0578462)


   
   

N-ISOPROPYLHYDRAZINECARBOXAMIDE

N-ISOPROPYLHYDRAZINECARBOXAMIDE

C4H11N3O (117.0902076)


   

(S)-3-Aminobutyric acid methyl ester

(S)-3-Aminobutyric acid methyl ester

C5H11NO2 (117.0789746)


   

Aspartate semialdehyde

2-amino-4-oxobutanoic acid

C4H7NO3 (117.0425912)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

2-PyrrolidineMethanol, 4-hydroxy-, hydrochloride (1:1), (2S,4R)-

2-PyrrolidineMethanol, 4-hydroxy-, hydrochloride (1:1), (2S,4R)-

C5H11NO2 (117.0789746)


   

piperidine-4,4-diol

piperidine-4,4-diol

C5H11NO2 (117.0789746)


   
   
   

4-(ethylamino)butan-1-ol

4-(ethylamino)butan-1-ol

C6H15NO (117.115358)


   

3-(MethylaMino)-3-oxopropanoic acid

3-(MethylaMino)-3-oxopropanoic acid

C4H7NO3 (117.0425912)


   

Ethanol,2-[(2-methylpropyl)amino]-

Ethanol,2-[(2-methylpropyl)amino]-

C6H15NO (117.115358)


   

N,N-Dimethylalanine

N,N-Dimethylalanine

C5H11NO2 (117.0789746)


   

N-(2-aminoethyl)-N-methylethane-1,2-diamine

N-(2-aminoethyl)-N-methylethane-1,2-diamine

C5H15N3 (117.12659099999999)


   

2,2,2-Trimethylthioacetamide

2,2,2-Trimethylthioacetamide

C5H11NS (117.0612166)


   

tert-Butyl carbamate

tert-Butyl carbamate

C5H11NO2 (117.0789746)


   
   

N,N-Dimethyltrimethylsilylamine

N,N-Dimethyltrimethylsilylamine

C5H15NSi (117.097371)


   

5-(Hydroxymethyl)oxazolidin-2-one

5-(Hydroxymethyl)oxazolidin-2-one

C4H7NO3 (117.0425912)


   

(3Z)-3-hydroxyimino-2-methyl-butan-2-ol

(3Z)-3-hydroxyimino-2-methyl-butan-2-ol

C5H11NO2 (117.0789746)


   

2-Aminomalonamide

2-Aminomalonamide

C3H7N3O2 (117.0538242)


   

n-formyl-dl-alanine

n-formyl-dl-alanine

C4H7NO3 (117.0425912)


   

1-Butanamine,4-methoxy-N-methyl-

1-Butanamine,4-methoxy-N-methyl-

C6H15NO (117.115358)


   

3-Methylbutanethioamide

3-Methylbutanethioamide

C5H11NS (117.0612166)


   

3-aminooxyoxolan-2-one

3-aminooxyoxolan-2-one

C4H7NO3 (117.0425912)


   

Methyl 4-aminobutanoate

4-amino-butyricacimethylester

C5H11NO2 (117.0789746)


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

   

Methyl Malonamate

Methyl Malonamate

C4H7NO3 (117.0425912)


   

(3-(Aminomethyl)oxetan-3-yl)methanol

(3-(Aminomethyl)oxetan-3-yl)methanol

C5H11NO2 (117.0789746)


   

4-METHYL-MORPHOLINE-4-OXIDE MONOHYDRATE

4-METHYL-MORPHOLINE-4-OXIDE MONOHYDRATE

C5H11NO2 (117.0789746)


   

N-(3-hydroxypropyl)acetamide

N-(3-hydroxypropyl)acetamide

C5H11NO2 (117.0789746)


   

Glycine, N-methyl-, ethyl ester

Glycine, N-methyl-, ethyl ester

C5H11NO2 (117.0789746)


   

(R)-3-AMINOPENTANOIC ACID

(R)-3-AMINOPENTANOIC ACID

C5H11NO2 (117.0789746)


   

2-Morpholinylmethanol

2-Morpholinylmethanol

C5H11NO2 (117.0789746)


   

(R)-3-Aminobutanoic acid methyl ester

(R)-3-Aminobutanoic acid methyl ester

C5H11NO2 (117.0789746)


   

2-Methyl-2-nitropropanal

2-Methyl-2-nitropropanal

C4H7NO3 (117.0425912)


   
   

3-(aminomethyl)pentan-3-ol

3-(aminomethyl)pentan-3-ol

C6H15NO (117.115358)


   

m-Tolyl isocyanide

1-Isocyano-3-methylbenzene

C8H7N (117.0578462)


   

1-Ethynylcyclopropanamine hydrochloride

1-Ethynylcyclopropanamine hydrochloride

C5H8ClN (117.03452379999999)


   

3-Amino-4-methyl-1-pentanol

3-Amino-4-methyl-1-pentanol

C6H15NO (117.115358)


   

3-METHOXY-2,2-DIMETHYLPROPYLAMINE

3-METHOXY-2,2-DIMETHYLPROPYLAMINE

C6H15NO (117.115358)


   

4-Methylmorpholine N-oxide Hydrate

4-Methylmorpholine N-oxide Hydrate

C5H11NO2 (117.0789746)


   

methyl 3-(methylamino)propanoate

methyl 3-(methylamino)propanoate

C5H11NO2 (117.0789746)


   

4-Ethynyl-2-methylpyridine

4-Ethynyl-2-methylpyridine

C8H7N (117.0578462)


   

2-Ethynyl-5-methylpyridine

2-Ethynyl-5-methylpyridine

C8H7N (117.0578462)


   

2-(TriMethylsilyl)ethylamine

2-(TriMethylsilyl)ethylamine

C5H15NSi (117.097371)


   

(S)-2-(Isopropylamino)propan-1-ol

(S)-2-(Isopropylamino)propan-1-ol

C6H15NO (117.115358)


   

6-Aminohexan-1-ol

6-Aminohexan-1-ol

C6H15NO (117.115358)


   

2-(dimethylamino)acetohydrazide

2-(dimethylamino)acetohydrazide

C4H11N3O (117.0902076)


   

Glycine 1-methyl ethylester

Glycine 1-methyl ethylester

C5H11NO2 (117.0789746)


   

Carbamic acid,N-ethyl-, ethyl ester

Carbamic acid,N-ethyl-, ethyl ester

C5H11NO2 (117.0789746)


   

n-hydroxy-n-isopropylguanidie

N-Isopropyl-N-hydroxyguanidine

C4H11N3O (117.0902076)


   

TETRAHYDRO-2H-THIOPYRAN-4-AMINE

TETRAHYDRO-2H-THIOPYRAN-4-AMINE

C5H11NS (117.0612166)


   

Sodium (2H7)butanoate

Sodium (2H7)butanoate

C4D7NaO2 (117.078312446)


   

3-Aminophenylacetylene

3-Aminophenylacetylene

C8H7N (117.0578462)


   

2-Ethynylpyrimidine

2-Ethynylpyrimidine

C8H7N (117.0578462)


   

N-tert-Butylethanolamine

N-tert-Butylethanolamine

C6H15NO (117.115358)


   

3-formylaminopropionic acid

3-formylaminopropionic acid

C4H7NO3 (117.0425912)


   

4-Hydroxymethyl oxazolidin-2-one

4-Hydroxymethyl oxazolidin-2-one

C4H7NO3 (117.0425912)


   
   

(3S,4R)-3-aminotetrahydro-2H-pyran-4-ol

(3S,4R)-3-aminotetrahydro-2H-pyran-4-ol

C5H11NO2 (117.0789746)


   

trans-4-AMinotetrahydropyran-3-ol

trans-4-AMinotetrahydropyran-3-ol

C5H11NO2 (117.0789746)


   

2-Dimethylaminobutan-1-ol

2-Dimethylaminobutan-1-ol

C6H15NO (117.115358)


   

(ISOPROPYLAMINO)ACETIC ACID

(ISOPROPYLAMINO)ACETIC ACID

C5H11NO2 (117.0789746)


   

3,3-Difluorocyclobutanecarbonitrile

3,3-Difluorocyclobutanecarbonitrile

C5H5F2N (117.0390034)


   

Chloro(2H5)benzene

Chloro(2H5)benzene

C6ClD5 (117.03936189)


   

(2S)-2-Amino-2,3-dimethyl-1-butanol

(2S)-2-Amino-2,3-dimethyl-1-butanol

C6H15NO (117.115358)


   

(S)-2-(Ethylamino)-1-butanol

(S)-2-(Ethylamino)-1-butanol

C6H15NO (117.115358)


   

N-Methoxy-N-methylpropanamide

N-Methoxy-N-methylpropanamide

C5H11NO2 (117.0789746)


   

5-(methylamino)pentan-2-ol

5-(methylamino)pentan-2-ol

C6H15NO (117.115358)


   

2,2-Dimethyl-1,3-thiazolidine

2,2-Dimethyl-1,3-thiazolidine

C5H11NS (117.0612166)


   

5-hydroxypentanal oxime

5-hydroxypentanal oxime

C5H11NO2 (117.0789746)


   

2-Hydroxypropyl acetate

2-Hydroxypropyl acetate

C5H9O3- (117.0551664)


   

2,2-Dimethyl-3-(methylamino)propan-1-ol

2,2-Dimethyl-3-(methylamino)propan-1-ol

C6H15NO (117.115358)


   
   

Ethanamine, 2-butoxy-

Ethanamine, 2-butoxy-

C6H15NO (117.115358)


   

(4S)-1,3-oxazolidine-4-carboxylic acid

(4S)-1,3-oxazolidine-4-carboxylic acid

C4H7NO3 (117.0425912)


   
   

2-Ethynylaniline

2-Ethynylaniline

C8H7N (117.0578462)


   

Ethyl β-alaninate

Ethyl β-alaninate

C5H11NO2 (117.0789746)


   

1,4-Dioxane-2-methanamine

1,4-Dioxane-2-methanamine

C5H11NO2 (117.0789746)


   

3-Isopropoxypropylamine

3-Isopropoxypropylamine

C6H15NO (117.115358)


   

2-Hydroxy-N,N-dimethylpropanamide

2-Hydroxy-N,N-dimethylpropanamide

C5H11NO2 (117.0789746)


   

N-(2-Hydroxyethyl)-N-methylacetamide

N-(2-Hydroxyethyl)-N-methylacetamide

C5H11NO2 (117.0789746)


   
   

3-(2-AMINOETHYLAMINO)PROPYLAMINE

3-(2-AMINOETHYLAMINO)PROPYLAMINE

C5H15N3 (117.12659099999999)


   

Chloro{tris[(2H3)methyl]}silane

Chloro{tris[(2H3)methyl]}silane

C3ClD9Si (117.072697002)


   

Benzyl isocyanate

Benzyl isocyanate

C8H7N (117.0578462)


   

trans-3,4-Dihydroxypiperidine

trans-3,4-Dihydroxypiperidine

C5H11NO2 (117.0789746)


   

(3-Aminopropyl)urea

(3-Aminopropyl)urea

C4H11N3O (117.0902076)


   
   

Ethanamine, N,N-diethyl-, N-oxide

Ethanamine, N,N-diethyl-, N-oxide

C6H15NO (117.115358)


   

4-Aminopentanoic acid

4-Aminopentanoic acid

C5H11NO2 (117.0789746)


   

3-Methyl-1-nitrobutane

3-Methyl-1-nitrobutane

C5H11NO2 (117.0789746)


A primary nitroalkane that is 2-methylbutane substituted by a nitro group at position 4. It is a herbivore-induced plant volatile found in the leaves of Oenothera biennis.

   

4-Amino-3-methylbutanoic acid

4-Amino-3-methylbutanoic acid

C5H11NO2 (117.0789746)


   

2-Hydroxy-3-methylbutanoate

2-Hydroxy-3-methylbutanoate

C5H9O3- (117.0551664)


   

1H-isoindole

1H-isoindole

C8H7N (117.0578462)


   

Diethylcarbamic acid

Diethylcarbamic acid

C5H11NO2 (117.0789746)


   

4-Aminohexan-3-ol

4-Aminohexan-3-ol

C6H15NO (117.115358)


   

O-Hexylhydroxylamine

O-Hexylhydroxylamine

C6H15NO (117.115358)


   

N-(Trimethylsilyl)formamide

N-(Trimethylsilyl)formamide

C4H11NOSi (117.0609876)


   
   

(2r)-2-Amino-4-Oxobutanoic Acid

(2r)-2-Amino-4-Oxobutanoic Acid

C4H7NO3 (117.0425912)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

indol

InChI=1\C8H7N\c1-2-4-8-7(3-1)5-6-9-8\h1-6,9

C8H7N (117.0578462)


Indole is an endogenous metabolite. Indole is an endogenous metabolite.

   

AI3-17128

InChI=1\C8H7N\c1-7-4-2-3-5-8(7)6-9\h2-5H,1H

C8H7N (117.0578462)


   

c0647

Phenylacetonitrile, liquid [UN2470] [Poison]

C8H7N (117.0578462)


   

(2S)-2-azaniumyl-3-methylbutanoate

(2S)-2-azaniumyl-3-methylbutanoate

C5H11NO2 (117.0789746)


   

(2S)-2-ammoniopentanoate

(2S)-2-ammoniopentanoate

C5H11NO2 (117.0789746)


   

2-(Diaminomethylideneazaniumyl)acetate

2-(Diaminomethylideneazaniumyl)acetate

C3H7N3O2 (117.0538242)


   

L-2-Amino-3-oxobutanoate

L-2-Amino-3-oxobutanoate

C4H7NO3 (117.0425912)


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(2R)-2-ammonio-3-methylbutanoate

(2R)-2-ammonio-3-methylbutanoate

C5H11NO2 (117.0789746)


   

3-Hydroxy-3-methylbutanoate

3-Hydroxy-3-methylbutanoate

C5H9O3- (117.0551664)


   

5-Ammoniopentanamide

5-Ammoniopentanamide

C5H13N2O+ (117.1027828)


   

4-Hydroxypentanoate

4-Hydroxypentanoate

C5H9O3- (117.0551664)


   

2-Aminovaleric acid

2-Aminovaleric acid

C5H11NO2 (117.0789746)


   

5-Hydroxypentanoate

5-Hydroxypentanoate

C5H9O3- (117.0551664)


A hydroxy monocarboxylic acid anion that is the conjugate base of 5-hydroxypentanoic acid.

   

3-(Dimethylazaniumyl)propanoate

3-(Dimethylazaniumyl)propanoate

C5H11NO2 (117.0789746)


   

3-Hydroxyvalerate

3-Hydroxyvalerate

C5H9O3- (117.0551664)


   

2-Hydroxypentanoate

2-Hydroxypentanoate

C5H9O3- (117.0551664)


The pentanoate anion substituted at the alpha-carbon by a hydroxy group. The conjugate base of 2-hydroxypentanoic acid, it is the predominant species at physiological pH.

   

N-acetyldiamine cation

N-acetyldiamine cation

C5H13N2O+ (117.1027828)


   

2-Hydroxy-2-methylbutanoate

2-Hydroxy-2-methylbutanoate

C5H9O3- (117.0551664)


   

Carbamoyl glycine

Carbamoyl glycine

C3H5N2O3- (117.030016)


   

2-azaniumyl-2-methyl-butanoate;D-Isovaline

2-azaniumyl-2-methyl-butanoate;D-Isovaline

C5H11NO2 (117.0789746)


   

5,6-dihydro-4H-1,3-thiazin-3-ium-2-amine

5,6-dihydro-4H-1,3-thiazin-3-ium-2-amine

C4H9N2S+ (117.0486414)


   

D-2-hydroxyvalerate

D-2-hydroxyvalerate

C5H9O3- (117.0551664)


   

3-(Methylamino)-2-oxopropanoic acid

3-(Methylamino)-2-oxopropanoic acid

C4H7NO3 (117.0425912)


   
   

2-Methyl-3-hydroxybutyrate

2-Methyl-3-hydroxybutyrate

C5H9O3- (117.0551664)


A hydroxy fatty acid anion that is the conjugate base of 2-methyl-3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

2-Ethylhydracrylate

2-Ethylhydracrylate

C5H9O3- (117.0551664)


A hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid.

   

(2R)-2-hydroxy-3-methylbutanoate

(2R)-2-hydroxy-3-methylbutanoate

C5H9O3- (117.0551664)


   

(3R)-3-Hydroxyvalerate

(3R)-3-Hydroxyvalerate

C5H9O3- (117.0551664)


   

(S)-3-hydroxyvalerate

(S)-3-hydroxyvalerate

C5H9O3- (117.0551664)


   
   

Benzimidazolide

Benzimidazolide

C7H5N2- (117.045271)


   

L-Valine-13C5,15N

L-Valine-13C5,15N

C5H11NO2 (117.0789746)


   
   

(S)-2-hydroxy-3-methylbutyrate

(S)-2-hydroxy-3-methylbutyrate

C5H9O3- (117.0551664)


The S-enantiomer of 2-hydroxy-3-methylbutyrate. The conjugate base of (S)-2-hydroxy-3-methylbutyric acid, formed by loss of a proton from the carboxy group, it is the major species present at physiological pH.

   

(2S)-2,4-diaminobutanoate

(2S)-2,4-diaminobutanoate

C4H9N2O2- (117.0663994)


   

(2S,3S)-3-hydroxy-2-methylbutanoate

(2S,3S)-3-hydroxy-2-methylbutanoate

C5H9O3- (117.0551664)


A 2-methyl-3-hydroxybutyrate that has (2S,3S)-configuration.

   

(S)-4-ammoniopentanoate

(S)-4-ammoniopentanoate

C5H11NO2 (117.0789746)


   

(2E)-2-(Hydroxyimino)ethyl acetate

(2E)-2-(Hydroxyimino)ethyl acetate

C4H7NO3 (117.0425912)


   

Trimethylglycine

Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, inner salt

C5H11NO2 (117.0789746)


Glycine betaine is the amino acid betaine derived from glycine. It has a role as a fundamental metabolite. It is an amino-acid betaine and a glycine derivative. It is a conjugate base of a N,N,N-trimethylglycinium. Betaine is a methyl group donor that functions in the normal metabolic cycle of methionine. It is a naturally occurring choline derivative commonly ingested through diet, with a role in regulating cellular hydration and maintaining cell function. Homocystinuria is an inherited disorder that leads to the accumulation of homocysteine in plasma and urine. Currently, no treatments are available to correct the genetic causes of homocystinuria. However, in order to normalize homocysteine levels, patients can be treated with vitamin B6 ([pyridoxine]), vitamin B12 ([cobalamin]), [folate] and specific diets. Betaine reduces plasma homocysteine levels in patients with homocystinuria. Although it is present in many food products, the levels found there are insufficient to treat this condition. The FDA and EMA have approved the product Cystadane (betaine anhydrous, oral solution) for the treatment of homocystinuria, and the EMA has approved the use of Amversio (betaine anhydrous, oral powder). Betaine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Betaine is a Methylating Agent. The mechanism of action of betaine is as a Methylating Activity. Betaine is a modified amino acid consisting of glycine with three methyl groups that serves as a methyl donor in several metabolic pathways and is used to treat the rare genetic causes of homocystinuria. Betaine has had only limited clinical use, but has not been linked to instances of serum enzyme elevations during therapy or to clinically apparent liver injury. Betaine is a natural product found in Hypoestes phyllostachya, Barleria lupulina, and other organisms with data available. Betaine is a metabolite found in or produced by Saccharomyces cerevisiae. A naturally occurring compound that has been of interest for its role in osmoregulation. As a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. Betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1341) See also: Arnica montana Flower (part of); Betaine; panthenol (component of); Betaine; scutellaria baicalensis root (component of) ... View More ... A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D008082 - Lipotropic Agents The amino acid betaine derived from glycine. D009676 - Noxae > D000963 - Antimetabolites D005765 - Gastrointestinal Agents

   

Amyl nitrite

Isopentyl nitrite

C5H11NO2 (117.0789746)


C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

   

N-NITROSO-N-ETHYLUREA

N-NITROSO-N-ETHYLUREA

C3H7N3O2 (117.0538242)


D009676 - Noxae > D000477 - Alkylating Agents

   

D-Norvaline

D(-)-Norvaline

C5H11NO2 (117.0789746)


   

(2S)-2-Amino-4-oxobutanoic acid

(2S)-2-Amino-4-oxobutanoic acid

C4H7NO3 (117.0425912)


   

2-amino-3-oxobutanoic acid

2-amino-3-oxobutanoic acid

C4H7NO3 (117.0425912)


An alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2.

   

(Z)-2-hydroxy-3-aminoperacrylic acid

(Z)-2-hydroxy-3-aminoperacrylic acid

C4H7NO3 (117.0425912)


   

Pentyl nitrite

Pentyl nitrite

C5H11NO2 (117.0789746)


V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

5-aminopentanoic acid zwitterion

5-aminopentanoic acid zwitterion

C5H11NO2 (117.0789746)


Zwitterionic form of 5-aminopentanoic acid having an anionic carboxy group and a protonated amino group.

   

DL-NORVALINE

DL-NORVALINE

C5H11NO2 (117.0789746)


DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase. DL-Norvaline, a derivative of L-norvaline, L-norvaline is a non-competitive inhibitor of arginase.

   

L-2-amino-3-oxobutanoic acid zwitterion

L-2-amino-3-oxobutanoic acid zwitterion

C4H7NO3 (117.0425912)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-2-amino-3-oxobutanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

D-valine zwitterion

D-valine zwitterion

C5H11NO2 (117.0789746)


A D-alpha-amino acid zwitterion that is D-valine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.

   

3-Hydroxyisovalerate

3-Hydroxyisovalerate

C5H9O3 (117.0551664)


A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxyisovaleric acid.

   

L-valine zwitterion

L-valine zwitterion

C5H11NO2 (117.0789746)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-valine; major species at pH 7.3.

   

2-Diethylaminoethanol

2-(Diethylamino)ethanol

C6H15NO (117.115358)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

   

(R)-4-Aminopentanoic acid

(R)-4-Aminopentanoic acid

C5H11NO2 (117.0789746)


   

2-Methyl-2-(methylazaniumyl)propanoate

2-Methyl-2-(methylazaniumyl)propanoate

C5H11NO2 (117.0789746)


   

2-Hydroxy-3-methylbutyrate

2-Hydroxy-3-methylbutyrate

C5H9O3 (117.0551664)


A hydroxy monocarboxylic acid anion that is the conjugate base of 2-hydroxy-3-methylbutyric acid, formed by loss of a proton from the carboxy group.

   

(R)-2-hydroxy-3-methylbutyrate

(R)-2-hydroxy-3-methylbutyrate

C5H9O3 (117.0551664)


A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-2-hydroxy-3-methylbutyric acid. The major species at pH 7.3.

   

(R)-3-hydroxypentanoate

(R)-3-hydroxypentanoate

C5H9O3 (117.0551664)


A (3R)-3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (R)-3-hydroxypentanoic acid. The major species at pH 7.3.

   

(S)-3-hydroxypentanoate

(S)-3-hydroxypentanoate

C5H9O3 (117.0551664)


A 3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (S)-3-hydroxypentanoic acid. The major species at pH 7.3.

   

L-Aspartic 4-semialdehyde

L-Aspartic 4-semialdehyde

C4H7NO3 (117.0425912)


   

L-2-aminopentanoic acid zwitterion

L-2-aminopentanoic acid zwitterion

C5H11NO2 (117.0789746)


An L-alpha-amino acid zwitterion obtained from L-2-aminopentanoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.

   

alpha-(methylamino)isobutyric acid

alpha-(methylamino)isobutyric acid

C5H11NO2 (117.0789746)


A non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group.

   

4-(methylamino)butyric acid

4-(methylamino)butyric acid

C5H11NO2 (117.0789746)


A gamma-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group.

   

4-(methylamino)butyric acid zwitterion

4-(methylamino)butyric acid zwitterion

C5H11NO2 (117.0789746)


An amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of 4-(methylamino)butyric acid.

   

guanidinoacetic acid zwitterion

guanidinoacetic acid zwitterion

C3H7N3O2 (117.0538242)


Zwitterionic form of guanidinoacetic acid having an anionic carboxy group and a protonated guanidino group; major species at pH 7.3.

   

L-aspartic acid 4-semialdehyde zwitterion

L-aspartic acid 4-semialdehyde zwitterion

C4H7NO3 (117.0425912)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxylic acid group to the amino group of L-aspartic acid 4-semialdehyde.

   

L-2,4-Diaminobutyrate

L-2,4-Diaminobutyrate

C4H9N2O2 (117.0663994)


An L-alpha-amino-acid anion that is the conjugate base of L-2,4-diaminobutyric acid, arising from deprotonation of the carboxy group.

   

2-aminopentanoic acid

2-aminopentanoic acid

C5H11NO2 (117.0789746)


An alpha-amino acid that is valeric acid which is substituted at position 2 by an amino group.

   

2S-Aminopentanoic acid

2S-Aminopentanoic acid

C5H11NO2 (117.0789746)


   

Aminopentanoic acid

Aminopentanoic acid

C5H11NO2 (117.0789746)


   

Aspartate-semialdehyde

Aspartate-semialdehyde

C4H7NO3 (117.0425912)


   

Methylaminobutyric acid

Methylaminobutyric acid

C5H11NO2 (117.0789746)