Exact Mass: 131.0582404

Exact Mass Matches: 131.0582404

Found 500 metabolites which its exact mass value is equals to given mass value 131.0582404, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

L-Leucine

(2S)-2-amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


Leucine (Leu) or L-leucine 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-leucine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Leucine 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. Leucine 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-Leucine 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. The primary metabolic end products of leucine metabolism are acetyl-CoA and acetoacetate; consequently, it is one of the two exclusively ketogenic amino acids, with lysine being the other. Leucine is the most important ketogenic amino acid in humans. The vast majority of l-leucine metabolism is initially catalyzed by the branched-chain amino acid aminotransferase enzyme, producing alpha-ketoisocaproate (alpha-KIC). alpha-KIC is metabolized by the mitochondrial enzyme branched-chain alpha-ketoacid dehydrogenase, which converts it to isovaleryl-CoA. Isovaleryl-CoA is subsequently metabolized by the enzyme isovaleryl-CoA dehydrogenase and converted to beta-methylcrotonyl-CoA (MC-CoA), which is used in the synthesis of acetyl-CoA and other compounds. During biotin deficiency, HMB can be synthesized from MC-CoA via enoyl-CoA hydratase and an unknown thioesterase enzyme, which convert MC-CoA into HMB-CoA and HMB-CoA into HMB respectively. Leucine has the capacity to directly stimulate myofibrillar muscle protein synthesis (PMID 15051860). This effect of leucine arises results from its role as an activator of the mechanistic target of rapamycin (mTOR) (PMID 23551944) a serine-threonine protein kinase that regulates protein biosynthesis and cell growth. The activation of mTOR by leucine is mediated through Rag GTPases. Leucine, like other BCAAs, is associated with insulin resistance. In particular, higher levels of leucine are observed in the blood of diabetic mice, rats, and humans (PMID 25287287). BCAAs such as leucine have different deficiency symptoms. Valine deficiency is marked by neurological defects in the brain, while isoleucine deficiency is marked by muscle tremors. Persistently low leucine levels can result in decreased appetite, poor feeding, lethargy, poor growth, weight loss, skin rashes, hair loss, and desquamation. Many types of inborn errors of BCAA metabolism exist and these are marked by various abnormalities. The most common form is 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 res... L-leucine is the L-enantiomer of leucine. It has a role as a plant metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a human metabolite, an algal metabolite and a mouse metabolite. It is a pyruvate family amino acid, a proteinogenic amino acid, a leucine and a L-alpha-amino acid. It is a conjugate base of a L-leucinium. It is a conjugate acid of a L-leucinate. It is an enantiomer of a D-leucine. It is a tautomer of a L-leucine zwitterion. An essential branched-chain amino acid important for hemoglobin formation. L-Leucine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Leucine is one of nine essential amino acids in humans (provided by food), Leucine is important for protein synthesis and many metabolic functions. Leucine contributes to regulation of blood-sugar levels; growth and repair of muscle and bone tissue; growth hormone production; and wound healing. Leucine also prevents breakdown of muscle proteins after trauma or severe stress and may be beneficial for individuals with phenylketonuria. Leucine is available in many foods and deficiency is rare. (NCI04) Leucine (abbreviated as Leu or L)[2] is a branched-chain л±-amino acid with the chemical formulaHO2CCH(NH2)CH2CH(CH3)2. Leucine is classified as a hydrophobic amino acid due to its aliphatic isobutyl side chain. It is encoded by six codons (UUA, UUG, CUU, CUC, CUA, and CUG) and is a major component of the subunits in ferritin, astacin, and other buffer proteins. Leucine is an essential amino acid, meaning that the human body cannot synthesize it, and it therefore must be ingested. It is important for hemoglobin formation. An essential branched-chain amino acid important for hemoglobin formation. See also: Isoleucine; Leucine (component of) ... View More ... Dietary supplement, nutrient [DFC]. (±)-Leucine is found in many foods, some of which are green bell pepper, italian sweet red pepper, green zucchini, and red bell pepper. L-Leucine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=61-90-5 (retrieved 2024-07-01) (CAS RN: 61-90-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1].

   

Trans-4-hydroxyproline

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


Trans-4-hydroxy-L-proline is an optically active form of 4-hydroxyproline having L-trans-configuration. It has a role as a human metabolite, a plant metabolite and a mouse metabolite. It is a tautomer of a trans-4-hydroxy-L-proline zwitterion. Hydroxyproline is a neutral heterocyclic protein amino acid. It is found in collagen and as such it is common in many gelatin products. Hydroxyproline is mostly used as a diagnostic marker of bone turnover and liver fibrosis. Therapeutically, hydroxyproline is being studied as an an experimental medicine but is approved in France as a combination topical gel product called Cicactive for small, superficial wounds. Hydroxyproline is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Hydroxyproline is a nonessential amino acid derivative formed during post-translational protein modification through hydroxylation of the amino acid proline by the enzyme prolyl hydroxylase which requires vitamin C as a co-factor. Hydroxyproline is a major component of the protein collagen and plays a key role in the stability of the collagen triple helix. It can be used as an indicator to determine the amount of collagen. Increased hydroxyproline levels in the urine and/or serum are normally associated with degradation of connective tissue. Vitamin C deficiency decreases the conversion of proline to hydroxyproline, which leads to reduced collagen stability. 4-Hydroxyproline (or hydroxyproline or Hyp) is a major component of the protein collagen. Hydroxyproline is produced by hydroxylation of the amino acid proline and is, therefore, a post-translationally modified amino acid. Hydroxyproline and proline play key roles for collagen stability. In particular, they permit the sharp twisting of the collagen helix. Hydroxyproline is found in few proteins other than collagen. The only other mammalian protein which includes hydroxyproline is elastin. For this reason, hydroxyproline content has been used as an indicator to determine collagen and/or gelatin amount in tissue or biological samples. Increased serum and urine levels of hydroxyproline have been found in Pagets disease Hydroxyproline (Hyp) content in biological fluids is used as a parameter of collagen catabolism, especially bone resorption or tissue degradation. Bedridden and elderly individuals show significantly elevated serum levels of hydroxyproline in comparison to normal, active individuals Elevated levels of urinary hydroxyproline are also indicative of muscle damage Increased reactive oxygen species (ROS) are also known to accelerate collagen degradation. Hydroxyproline levels increase in cases of depression and stress (A3486, A3487, A3488, A3489). See also: Hydroxyproline; niacinamide (component of); Hydroxyproline; octinoxate (component of) ... View More ... 4-Hydroxyproline (hydroxyproline or Hyp) is a major component of the protein collagen. Hydroxyproline is produced by hydroxylation of the amino acid proline and is, therefore, a post-translationally modified, non-essential amino acid. Hydroxyproline and proline play key roles in collagen stability. In particular, they permit the sharp twisting of the collagen helix. Hydroxyproline is found in few proteins other than collagen. The only other mammalian protein which includes hydroxyproline is elastin. For this reason, hydroxyproline content has been used as an indicator to determine collagen and/or gelatin amount in tissue or biological samples. Increased serum and urine levels of hydroxyproline have been found in Pagets disease (PMID: 436278). Hydroxyproline (Hyp) content in biological fluids is used as a parameter of collagen catabolism, especially bone resorption or tissue degradation. Bedridden and elderly individuals show significantly elevated serum levels of hydroxyproline in comparison to normal, active individuals (PMID: 10706420). Elevated levels of urinary hydroxyproline are also indicative of muscle damage (PMID: 21988268). Increased reactive oxygen species (ROS) are also known to accelerate collagen degradation. Hydroxyproline levels increase in cases of depression and stress (PMID: 21483218). 4-Hydroxyproline is found to be associated with Alzheimers disease, and also hydroxyprolinemia and iminoglycinuria which are both inborn errors of metabolism. 4-Hydroxyproline is also involved in metabolic disorders such as hyperprolinemia type I, hyperornithinemia with gyrate atrophy (HOGA), L-arginine:glycine amidinotransferase deficiency, creatine deficiency, and guanidinoacetate methyltransferase deficiency. A deficiency in ascorbic acid can result in impaired hydroxyproline formation (PubChem). trans-4-Hydroxy-L-proline is a biomarker for the consumption of processed meat. Constituent of proteins [DFC]. 4-hydroxyproline is a biomarker for the consumption of processed meat An optically active form of 4-hydroxyproline having L-trans-configuration. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals.

   

Cis-Hydroxyproline

cis-4-hydroxyproline;(2S)-4-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


Cis 4-hydroxyproline, also known as L-allo-hydroxyproline or (2s,4s)-4-hydroxy-2-pyrrolidinecarboxylic acid, belongs to proline and derivatives class of compounds. Those are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Cis 4-hydroxyproline is soluble (in water) and a moderately acidic compound (based on its pKa). Cis 4-hydroxyproline can be found in a number of food items such as green bell pepper, wheat, nanking cherry, and oat, which makes cis 4-hydroxyproline a potential biomarker for the consumption of these food products. Cis-4-hydroxy-L-proline is l-Proline in which a hydrogen at the 4-position of the pyrrolidine ring is substituted by a hydroxy group (S-configuration). It has a role as a metabolite. It is a non-proteinogenic L-alpha-amino acid and a 4-hydroxyproline. It is a tautomer of a cis-4-hydroxy-L-proline zwitterion. A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation. cis-4-Hydroxyproline is classified as a proline derivative. It is considered to be a soluble (in water), acidic compound. cis-4-Hydroxyproline can be found in numerous foods such as dills, green zucchinis, saskatoon berries, and Japanese pumpkins. L-Proline in which a hydrogen at the 4-position of the pyrrolidine ring is substituted by a hydroxy group (S-configuration). [Spectral] 4-Hydroxy-L-proline (exact mass = 131.05824) and L-Threonine (exact mass = 119.05824) and Taurine (exact mass = 125.01466) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. KEIO_ID H004 cis-4-Hydroxy-L-proline, a proline analogue, is an inhibitor of collagen production. cis-4-Hydroxy-L-proline could inhibit fibroblast growth by preventing the deposition of triple-helical collagen on the cell layer. cis-4-Hydroxy-L-proline also depresses the growth of primary N-nitrosomethylurea-induced rat mammary tumors[1][2][3][4]. cis-4-Hydroxy-L-proline, a proline analogue, is an inhibitor of collagen production. cis-4-Hydroxy-L-proline could inhibit fibroblast growth by preventing the deposition of triple-helical collagen on the cell layer. cis-4-Hydroxy-L-proline also depresses the growth of primary N-nitrosomethylurea-induced rat mammary tumors[1][2][3][4]. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals.

   

L-Isoleucine

(2S,3S)-2-amino-3-methylpentanoic acid

C6H13NO2 (131.0946238)


Isoleucine (Ile) or L-isoleucine 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 (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. L-isolecuine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Isoleucine 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. Isoleucine is an essential amino acid in humans, meaning the body cannot synthesize it and that it must be obtained from the diet. In plants and microorganisms, isoleucine is synthesized starting from pyruvate and alpha-ketobutyrate. Isoleucine is classified as a branched chain amino acid (BCAA). BCAAs include three amino acids: isoleucine, leucine and valine. They are alpha amino acids whose carbon structure is marked by a beta branch point. Despite their structural similarities, 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. Isoleucine is catabolized via with alpha-ketoglutarate where upon it is oxidized and split into propionyl-CoA and acetyl-CoA. Propionyl-CoA is converted into succinyl-CoA, a TCA cycle intermediate which can be converted into oxaloacetate for gluconeogenesis (hence glucogenic). The acetyl-CoA can be fed into the TCA cycle by condensing with oxaloacetate to form citrate or used in the synthesis of ketone bodies or fatty acids. The different metabolism of BCAAs 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 are required 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. BCAAs are decreased in patients with liver disease, such as hepatitis, hepatic coma, cirrhosis, extrahepatic biliary atresia. An inability to break down isoleucine, along with other amino acids, is associated with maple syrup urine disease (MSUD) (PMID: 34125801). Isoleucine, like other BCAAs, is associated with insulin resistance. In particular, higher levels of isoleucine are observed in the blood of diabetic mice, rats, and humans (PMID 25287287). Mice fed an isoleucine deprivation diet for one day have improved insulin sensitivity, and feeding of an isoleucine deprivation diet for one week significantly decreases blood glucose levels (PMID: 24684822). L-isoleucine is the L-enantiomer of isoleucine. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a plant metabolite, a human metabolite, an algal metabolite and a mouse metabolite. It is an aspartate family amino acid, a proteinogenic amino acid, an isoleucine and a L-alpha-amino acid. It is a conjugate base of a L-isoleucinium. It is a conjugate acid of a L-isoleucinate. It is an enantiomer of a D-isoleucine. It is a tautomer of a L-isoleucine zwitterion. An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of leucine. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels. L-Isoleucine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Isoleucine is one of nine essential amino acids in humans (present in dietary proteins), Isoleucine has diverse physiological functions, such as assisting wound healing, detoxification of nitrogenous wastes, stimulating immune function, and promoting secretion of several hormones. Necessary for hemoglobin formation and regulating blood sugar and energy levels, isoleucine is concentrated in muscle tissues in humans. Isoleucine is found especially in meats, fish, cheese, eggs, and most seeds and nuts. (NCI04) L-Isoleucine is one of the essential amino acids that cannot be made by the body and is known for its ability to help endurance and assist in the repair and rebuilding of muscle. This amino acid is important to body builders as it helps boost energy and helps the body recover from training. L-Isoleucine is also classified as a branched-chain amino acid (BCAA). It helps promote muscle recovery after exercise. Isoleucine is actually broken down for energy within the muscle tissue. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels. An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels. L-Isoleucine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=73-32-5 (retrieved 2024-07-01) (CAS RN: 73-32-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid. L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid.

   

3-Methylindole

3-Methyl-4,5-benzopyrrole

C9H9N (131.0734954)


3-Methylindole, or skatole, belongs to the indole family and has a methyl substituent in position 3 of the indole ring. It occurs naturally in feces, beets, and coal tar, and has a strong fecal odor. Its name is derived from skato, the Greek word for dung. It exists as a white crystalline or fine powder solid, and it browns upon aging. 3-Methylindole is produced from tryptophan in the mammalian digestive tract where tryptophan is converted to indoleacetic acid, which decarboxylates to give the methylindole. These reactions are largely driven by the microbiota in the digestive tract. 3-Methylindole is soluble in alcohol and benzene and it gives violet color in potassium ferrocyanide (K4Fe(CN)6.3H2O) mixed with sulfuric acid (H2SO4). Skatole has a double ring system which displays aromaticity that comes from the lone pair electrons on the nitrogen. It is continuous (all atoms in the ring are sp2 hybridized), planar, and follows the 4n+2 rule because it has 10 pi electrons. In a 1994 report released by five top cigarette companies, skatole was listed as one of the 599 additives to cigarettes. This is because in low concentrations skatole has a flowery smell and is found in several flowers and essential oils, including those of orange blossoms, jasmine, and Ziziphus mauritiana. As a result, skatole/3-methylindole is used as a fragrance and fixative in many perfumes and as a general aroma compound for other applications. 3-Methylindole has been found to be a bacterial metabolite of members of the Clostridium (PMID: 18223109) and Lactobacillus (PMID: 16345702) families. Skatole functions as an insect attractant and is one of many compounds that are attractive to males of various species of orchid bees, which apparently gather the chemical to synthesize pheromones; it is commonly used as bait for these bees for study (PMID: 12647866). It is also known for being an attractant for the Tasmanian grass grub beetle (Aphodius tasmaniae). Skatole has also been shown to be an attractant to gravid mosquitoes in both field and laboratory conditions (PMID: 24242053). 3-methylindole, also known as skatol or 3-methyl-4,5-benzopyrrole, is a member of the class of compounds known as 3-methylindoles. 3-methylindoles are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group. 3-methylindole is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methylindole is a very strong, animal, and civet tasting compound found in common beet and red beetroot, which makes 3-methylindole a potential biomarker for the consumption of these food products. 3-methylindole can be found primarily in feces and saliva. Skatole or 3-methylindole is a mildly toxic white crystalline organic compound belonging to the indole family. It occurs naturally in feces (it is produced from tryptophan in the mammalian digestive tract) and coal tar and has a strong fecal odor. In low concentrations, it has a flowery smell and is found in several flowers and essential oils, including those of orange blossoms, jasmine, and Ziziphus mauritiana. It is used as a fragrance and fixative in many perfumes and as an aroma compound. Its name is derived from the Greek root skato- meaning "dung". Skatole was discovered in 1877 by the German physician Ludwig Brieger (1849–1919). Skatole is also used by U.S. military in its non-lethal weaponry; specifically, malodorants . Skatole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=83-34-1 (retrieved 2024-07-02) (CAS RN: 83-34-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1]. Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1].

   

5-Aminolevulinic acid

Bertek brand OF aminolevulinic acid hydrochloride

C5H9NO3 (131.0582404)


5-Aminolevulinic acid, also known as 5-aminolevulinate or 5-amino-4-oxopentanoate, belongs to the class of organic compounds known as delta amino acids and derivatives. Delta amino acids and derivatives are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom. 5-Aminolevulinic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 5-Aminolevulinic acid exists in all living species, ranging from bacteria to humans. 5-aminolevulinic acid can be biosynthesized from glycine and succinyl-CoA by the enzyme 5-aminolevulinate synthase. The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. In humans, 5-aminolevulinic acid is involved in the metabolic disorder called the dimethylglycine dehydrogenase deficiency pathway. Outside of the human body, 5-Aminolevulinic acid has been detected, but not quantified in several different foods, such as american butterfish, vaccinium (blueberry, cranberry, huckleberry), amaranths, purple mangosteens, and garden cress. Used (in the form of the hydrochloride salt) in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. An intermediate in heme synthesis. This is the first compound in the porphyrin synthesis pathway. It is produced by the enzyme ALA synthase, from glycine and succinyl CoA. This reaction is known as the Shemin pathway. Aminolevulinic acid plus blue light illumination using a blue light photodynamic therapy illuminator is indicated for the treatment of minimally to moderately thick actinic keratoses of the face or scalp. [HMDB]. 5-Aminolevulinic acid is found in many foods, some of which are fireweed, chia, sesbania flower, and taro. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XD - Sensitizers used in photodynamic/radiation therapy Acquisition and generation of the data is financially supported in part by CREST/JST. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C1420 - Photosensitizing Agent D003879 - Dermatologic Agents KEIO_ID A052

   

Aminocaproic acid

Sanofi winthrop brand OF aminocaproic acid

C6H13NO2 (131.0946238)


Aminocaproic acid (marketed as Amicar) is a drug used to treat bleeding disorders. It is an antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties. It is a derivative of the amino acid lysine. It binds reversibly to the kringle domain of plasminogen and blocks the binding of plasminogen to fibrin and its activation to plasmin. [HMDB] Aminocaproic acid (marketed as Amicar) is a drug used to treat bleeding disorders. It is an antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties. It is a derivative of the amino acid lysine. It binds reversibly to the kringle domain of plasminogen and blocks the binding of plasminogen to fibrin and its activation to plasmin. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AA - Amino acids Acquisition and generation of the data is financially supported in part by CREST/JST. D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents IPB_RECORD: 266; CONFIDENCE confident structure KEIO_ID A053 6-Aminocaproic acid (EACA), a monoamino carboxylic acid, is a potent and orally active inhibitor of plasmin and plasminogen. 6-Aminocaproic acid is a potent antifibrinolytic agent. 6-Aminocaproic acid prevents clot lysis through the competitive binding of lysine residues on plasminogen, inhibiting plasmin formation and reducing fibrinolysis. 6-Aminocaproic acid can be used for the research of bleeding disorders[1][2].

   

Creatine

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

C4H9N3O2 (131.06947340000002)


Creatine, is a naturally occurring non-protein compound. It 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. Creatine is found in all vertebrates where it facilitates recycling of adenosine triphosphate (ATP). Its primary metabolic role is to combine with a phosphoryl group, via the enzyme creatine kinase, to generate phosphocreatine, which is used to regenerate ATP. Most of the human bodys total creatine and phosphocreatine stores are found in skeletal muscle (95\\\\\%), while the remainder is distributed in the blood, brain, testes, and other tissues. Creatine is not an essential nutrient as it is naturally produced in the human body from the amino acids glycine and arginine, with an additional requirement for methionine to catalyze the transformation of guanidinoacetate to creatine. In the first step of its biosynthesis glycine and arginine are combined by the enzyme arginine:glycine amidinotransferase (AGAT) to form guanidinoacetate, which is then methylated by guanidinoacetate N-methyltransferase (GAMT), using S-adenosyl methionine as the methyl donor. Creatine can also be obtained through the diet at a rate of about 1 gram per day from an omnivorous diet. A cyclic form of creatine, called creatinine, exists in equilibrium with its tautomer and with creatine. Clinically, there are three distinct disorders of creatine metabolism. Deficiencies in the two synthesis enzymes (AGAT and GAMT) can cause L-arginine:glycine amidinotransferase deficiency (caused by variants in AGAT) and guanidinoacetate methyltransferase deficiency (caused by variants in GAMT). Both disorders are inherited in an autosomal recessive manner. A third defect, creatine transporter defect, is caused by mutations in SLC6A8 and inherited in a X-linked manner. Creatine is widely used as a supplement by athletes. Its use can increase maximum power and performance in high-intensity anaerobic repetitive work (periods of work and rest) by 5 to 15\\\\\% (PMID: 24688272). Creatine has no significant effect on aerobic endurance, although it will increase power during short sessions of high-intensity aerobic exercise (PMID: 9662683). [Spectral] Creatine (exact mass = 131.06948) and L-Aspartate (exact mass = 133.03751) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] Creatine (exact mass = 131.06948) and L-Cysteine (exact mass = 121.01975) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Creatine is a essential, non-proteinaceous amino acid found in all animals and in some plants. Creatine is synthesized in the kidney, liver and pancreas from L-arginine, glycine and L-methionine. Creatine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=57-00-1 (retrieved 2024-06-29) (CAS RN: 57-00-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain. Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain.

   

Trans-3-hydroxy-L-proline

(2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


Trans-3-hydroxy-l-proline is a substrate for: Trans-L-3-hydroxyproline dehydratase.

   

L-Norleucine

(S)-2-amino-Hexanoic acid

C6H13NO2 (131.0946238)


L-Norleucine, also known as L-aminohexanoate or caprine, 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. Thus, L-norleucine is considered to be a fatty acid lipid molecule. An unnatural amino acid that is used experimentally to study protein structure and function. L-Norleucine is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. L-Norleucine exists in all eukaryotes, ranging from yeast to humans. Outside of the human body, L-Norleucine has been detected, but not quantified in cow milk. This could make L-norleucine a potential biomarker for the consumption of these foods. It binds reversibly to the kringle domain of plasminogen and blocks the binding of plasminogen to fibrin and its activation to plasmin. An unnatural amino acid that is used experimentally to study protein structure and function. It is structurally similar to methionine, however it does not contain sulfur. Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE standard compound; INTERNAL_ID 22 KEIO_ID N014 L-Norleucine ((S)-2-Aminohexanoic acid) is an isomer of leucine, specifically affects protein synthesis in skeletal muscle, and has antivirus activity.

   

Beta-Guanidinopropionic acid

3-(diaminomethylideneamino)propanoic acid

C4H9N3O2 (131.06947340000002)


Beta-Guanidinopropionic acid is analog of creatine and is reported to decrease phosphocreatine and ATP content in animal tissues in vivo. Acquisition and generation of the data is financially supported in part by CREST/JST. A human metabolite taken as a putative food compound of mammalian origin [HMDB] C274 - Antineoplastic Agent > C177430 - Agent Targeting Cancer Metabolism KEIO_ID G039

   

N-Acetyl-beta-alanine

N-Acetyl-3-aminopropionic acid

C5H9NO3 (131.0582404)


N-Acetyl-beta-alanine belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. N-Acetyl-beta-alanine has been identified in the human placenta (PMID: 32033212). KEIO_ID A138 Ac-β-Ala-OH (N-Acetyl-β-alanine), an abnormal amino acid metabolite, is a mono-N-protected amino acid (MPAA) ligand[1].

   

Beta-Leucine

(±)-3-Amino-4-methylpentanoic acid, (±)-3-Amino-4-methylvaleric acid

C6H13NO2 (131.0946238)


Beta-leucine is a metabolite that is in the middle of a controversy over its presence in the human body. While there are reports that claim it as a human metabolite, there are others that deny its existence. Two examples:. Circulating levels of beta-leucine are elevated in the cobalamin-deficient state of pernicious anemia. Levels of leucine, on the other hand, are much lower. It is proposed that leucine 2,3-aminomutase, the cobalamin-dependent enzyme that catalyzes the interconversion of leucine and beta-leucine, is the affected enzyme in pernicious anemia and causes these results by preventing the synthesis of leucine from beta-leucine. The synthesis of leucine by human leukocytes and hair roots and by rat liver extracts has been shown to occur when either branched chain fatty acids or valine metabolites are the substances. The synthesis is dependent upon adenosylcobalamin and is inhibited by intrinsic factor (PMID:7430116). Using forms of beta-leucine and leucine that contain several deuterium atoms in place of several hydrogen atoms as internal standards, techniques have been developed which make it possible to detect and quantitate as little as 0.1 mumol/liter of beta-leucine or leucine in human serum and in incubations containing rat liver supernatant. beta-Leucine was not detectable, i.e. less than 0.1 mumol/liter, in any sera from 50 normal human subjects or in any sera from 50 cobalamin-deficient patients. Experiments in which beta-leucine, leucine, isostearic acid, or isocaproic acid were incubated with rat liver supernatant in the presence or absence of adenosylcobalamin or cobalamin-binding protein failed to demonstrate the formation of leucine or beta-leucine or their interconversion under any of the conditions studied. We conclude that beta-leucine is not present in human blood and that the existence of leucine 2,3-aminomutase in mammalian tissues remains to be established (PMID 3356699). Beta-leucine is found to be associated with cobalamin deficiency, which is an inborn error of metabolism. Beta-leucine is a metabolite that is in the middle of a controversy over its presence in the human body. While there are reports that claim it as a human metabolite, there are others that deny its existence. Two examples: Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID L057 3-Amino-4-methylpentanoic acid is a beta amino acid and positional isomer of L-leucine which is naturally produced in humans via the metabolism of L-leucine by the enzyme leucine 2,3-aminomutase.

   

5-Amino-2-oxopentanoic acid

alpha-Keto-delta-aminopentanoic acid

C5H9NO3 (131.0582404)


5-Amino-2-oxopentanoic acid is a breakdown product of D-proline. D-proline is first converted to 1-pyrroline-2-carboxylic acid via D-amino acid oxidase, which then spontaneously breaks down into 5-amino-2-oxopentanoic acid. [HMDB] 5-Amino-2-oxopentanoic acid is a breakdown product of D-proline. D-proline is first converted to 1-pyrroline-2-carboxylic acid via D-amino acid oxidase, which then spontaneously breaks down into 5-amino-2-oxopentanoic acid.

   

L-Glutamic gamma-semialdehyde

Glutamic acid gamma-semialdehyde, (L)-isomer

C5H9NO3 (131.0582404)


L-glutamic-gamma-semialdehyde, also known as 5-oxo-L-norvaline or glutamic acid gamma-semialdehyde, (L)-isomer, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-glutamic-gamma-semialdehyde is soluble (in water) and a moderately acidic compound (based on its pKa). L-glutamic-gamma-semialdehyde can be found in a number of food items such as rubus (blackberry, raspberry), jackfruit, loganberry, and plains prickly pear, which makes L-glutamic-gamma-semialdehyde a potential biomarker for the consumption of these food products. L-glutamic-gamma-semialdehyde exists in all living species, ranging from bacteria to humans. In humans, L-glutamic-gamma-semialdehyde is involved in the arginine and proline metabolism. L-glutamic-gamma-semialdehyde is also involved in several metabolic disorders, some of which include hyperornithinemia-hyperammonemia-homocitrullinuria [hhh-syndrome], prolidase deficiency (PD), arginine: glycine amidinotransferase deficiency (AGAT deficiency), and ornithine aminotransferase deficiency (OAT deficiency). Glutamic gamma-semialdehyde is the metabolic precursor for proline biosynthesis. The conversion from L-Glutamate, an ATP- and NADPH-dependent reaction, is catalyzed by the enzyme Delta-1-pyrroline-5-carboxylate synthetase (P5CS) (OMIM 138250). L-Glutamic-gamma-semialdehyde can also be converted to or be formed from the amino acids L-ornithine (EC 2.6.1.13) and L-proline (EC 1.5.99.8 and EC 1.5.1.2). It is also one of the few metabolites that can be a precursor to other metabolites of both the urea cycle and the citric acid cycle (BioCyc).

   

2-Oxosuccinamate

3-(C-hydroxycarbonimidoyl)-2-oxopropanoic acid

C4H5NO4 (131.021857)


This compound belongs to the family of Short-chain Keto Acids and Derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms

   

Tolylacetonitrile

Tolylacetonitrile; o-Tolylacetonitrile; o-Methylbenzyl cyanide; 2-Methylbezeneacetonitrile

C9H9N (131.0734954)


   

2-Amino-4-oxopentanoate

2-amino-4-oxo-pentanoic acid

C5H9NO3 (131.0582404)


   

Glutamate-1-semialdehyde

4-AMINO-5-OXO-PENTANOIC ACID

C5H9NO3 (131.0582404)


   

Iminoaspartic acid

alpha-Iminosuccinic acid

C4H5NO4 (131.021857)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids Iminoaspartic acid is a substrate for D-aspartate oxidase. [HMDB] Iminoaspartic acid is a substrate for D-aspartate oxidase.

   

Propiobetaine

Beta-alanine betaine

C6H13NO2 (131.0946238)


   

N,N-Diethylglycine

N,N-Diethylglycine

C6H13NO2 (131.0946238)


An N-alkyl glycine that is glycine in which the amino group is replaced by a diethylnitrilo group.

   

Benzoyl cyanide

Benzoyl cyanide; Benzoyl nitrile

C8H5NO (131.037112)


   

D-Leucine

(2R)-2-amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


An essential branched-chain amino acid important for hemoglobin formation. [PubChem]; 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 useful because they are metabolized primarily by muscle. Stress state- e.g surgery, trauma, cirrhosis, infections, fever and starvation--require proportionately more BCAA than other amino acids and probably proportionately more leucine than either valine or isoleucine. BCAA and other amino acids are frequently fed intravenously (TPN) to malnourished surgical patients and in some cases of severe trauma. BCAA, particularly leucine, stimulate protein synthesis, increase reutilization of amino acids in many organs and reduce protein breakdown. Furthermore, leucine can be an important source of calories, and is superior as fuel to the ubiquitous intravenous glucose (dextrose). Leucine also stimulates insulin release, which in turn stimulates protein synthesis and inhibits protein breakdown. These effects are particularly useful in athletic training. BCAA should also replace the use of steroids as commonly used by weightlifters. Huntingtons chorea and anorexic disorders both are characterized by low serum BCAA. These diseases, as well as forms of Parkinsons, may respond to BCAA therapy. BCAA, and particularly leucine, are among the amino acids most essential for muscle health. (http://www.dcnutrition.com); Leucine (abbreviated as Leu or L) is a branched-chain amino acid with the chemical formula HO2CCH(NH2)CH2CH(CH3)2. Leucine is classified as a hydrophobic amino acid due to its aliphatic isobutyl side chain. It is encoded by six codons (UUA, UUG, CUU, CUC, CUA, and CUG) and is a major component of the subunits in ferritin, astacin and other buffer proteins. Leucine is an essential amino acid. Leucine is a branched-chain amino acid (BCAA) since it possesses an aliphatic side-chain that is non-linear. D-Leucine is a more potent anti-seizure agent than L-leucine. D-leucine potently terminates seizures even after the onset of seizure activity. D-leucine, but not L-leucine, reduces long-term potentiation but had no effect on basal synaptic transmission in vitro[1]. D-Leucine is a more potent anti-seizure agent than L-leucine. D-leucine potently terminates seizures even after the onset of seizure activity. D-leucine, but not L-leucine, reduces long-term potentiation but had no effect on basal synaptic transmission in vitro[1].

   

(±)-erythro-Isoleucine

2-Amino-3-methylpentanoic acid

C6H13NO2 (131.0946238)


(±)-erythro-Isoleucine is a flavouring ingredient, dietary supplement, and a nutrient. 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. 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. The BCAA are not without side effects. Leucine alone, for example, exacerbates pellagra and can cause psychosis in pellagra patients by increasing excretion of niacin in the urine. Leucine may lower brain serotonin and dopamine. The ratio of leucine to other BCAA is greatest in pork, where leucine is 7 to 8 g and the other BCAA together are only 3 to 4 g (http://www.dcnutrition.com).

   

cis-4-Hydroxy-D-proline

(2R,4R)-(+)-4-Hydroxy-2-pyrrolidinecarboxylic acid

C5H9NO3 (131.0582404)


cis-4-Hydroxy-D-proline belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from a reaction of proline at the amino group or the carboxyl group, or from the replacement of any hydrogen of glycine by a heteroatom. KEIO_ID H048 cis-4-Hydroxy-D-proline is a precursor of conformationally restricted PNA adenine monomer. cis-4-Hydroxy-D-proline can be used to study the specificity and kinetics of D-alanine dehydrogenase[1][2].

   

L-Alloisoleucine

L-allo-Isoleucine

C6H13NO2 (131.0946238)


An optically active form of alloisoleucine having L-(2S,3R)-configuration. L-Alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. L-Alloisoleucine is a common constituent of human plasma (albeit at low levels).

   

D-Isoleucine

D-allo-Isoleucine

C6H13NO2 (131.0946238)


The D-enantiomer of isoleucine. Acquisition and generation of the data is financially supported in part by CREST/JST.

   

D-Alloisoleucine

D-allo-Isoleucine

C6H13NO2 (131.0946238)


   

L-Hydroxyproline

(2S,4R)-4-hydroxypyrrolidinium-2-carboxylate

C5H9NO3 (131.0582404)


A 4-hydroxy-D-proline in which the hydroxy group at position 4 has S-configuration. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals.

   

cis-3-Hydroxy-DL-proline

(±)-cis-3-Hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


   

Leucine

2-Amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. Leucine (symbol Leu or L)[3] is an essential amino acid that is used in the biosynthesis of proteins. Leucine is an α-amino acid, meaning 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 isobutyl 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, and beans and other legumes. It is encoded by the codons UUA, UUG, CUU, CUC, CUA, and CUG. Leucine is named after the Greek word for "white": λευκός (leukós, "white"), after its common appearance as a white powder, a property it shares with many other amino acids.[4] Like valine and isoleucine, leucine is a branched-chain amino acid. The primary metabolic end products of leucine metabolism are acetyl-CoA and acetoacetate; consequently, it is one of the two exclusively ketogenic amino acids, with lysine being the other.[5] It is the most important ketogenic amino acid in humans.[6] Leucine and β-hydroxy β-methylbutyric acid, a minor leucine metabolite, exhibit pharmacological activity in humans and have been demonstrated to promote protein biosynthesis via the phosphorylation of the mechanistic target of rapamycin (mTOR).[7][8] L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1].

   

3-Hydroxy-L-proline

(2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


Constituent of collagen and the antibiotic Telomycin (Combined Chemical Dictionary).

   

N-acetylalanine

(S)-2-(Acetylamino)propanoic acid

C5H9NO3 (131.0582404)


N-Acetyl-L-alanine or N-Acetylalanine, 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-Acetyl-L-alanine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-alpha-Acetyl-L-alanine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-alanine. 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-Acetyl-L-alanine is a product of the enzyme known as ribosomal alanine N-acetyltransferase (EC 2.3.1.128) which catalyzes the transfer of the acetyl group of acetyl CoA to proteins bearing an N-terminal alanine. N-acetylated amino acids, such as N-acetylalanine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). Excessive amounts N-acetyl amino acids can be detected in the urine with individuals with aminoacylase I deficiency, a genetic disorder (PMID: 16465618). These include N-acetylalanine (as well as N-acetylserine, N-acetylglutamine, N-acetylglutamate, N-acetylglycine, N-acetylmethionine and smaller amounts of N-acetylthreonine, N-acetylleucine, N-acetylvaline and N-acetylisoleucine. 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-acetylalanine, are classified as uremic toxins (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-Acetyl-L-alanine has been identified in the human placenta (PMID: 32033212). N-Acetyl-L-alanine is a substrate for Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Myelin basic protein, GTP-binding nuclear protein Ran, Tropomyosin alpha 4 chain, HIV-1 Rev binding protein 2, Xaa-Pro dipeptidase, Thymosin beta-10, Actin-like protein 3, Alanine aminotransferase, Serine/threonine protein phosphatase PP1-beta catalytic subunit, 10 kDa heat shock protein (mitochondrial), Calmodulin and Beta-1-syntrophin. [HMDB] C26170 - Protective Agent > C275 - Antioxidant Ac-Ala-OH is an endogenous metabolite.

   

Benzenepropanenitrile

beta-Phenyl propionitrile

C9H9N (131.0734954)


Constituent of Brassica napus (rape seed) and Nasturtium officinale (water cress). Benzenepropanenitrile is found in brassicas, herbs and spices, and white mustard. Benzenepropanenitrile is found in brassicas. Benzenepropanenitrile is a constituent of Brassica napus (rape seed) and Nasturtium officinale (water cress)

   

Propionylglycine

Propionylaminoacetic acid

C5H9NO3 (131.0582404)


Propionylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:acyl-CoA + glycine < -- > CoA + N-acylglycineThe level of propionylglycine is elevated in patients with propionic acidemia, which is an inherited deficiency of propionyl-CoA carboxylase. (Disorders of propionate and methylmalonate metabolism. In The Metabolic and Molecular Bases of Inherited Disease). Propionylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction: Propionylglycine is a peptide[1].

   

N-methylvaline

(2S)-3-Methyl-2-(methylamino)butanoic acid

C6H13NO2 (131.0946238)


N-methylvaline, also known as MeVal, D-Valine, or N-Methyl-L-valine, is an N-methylamino acid that is the N-methyl derivative of valine. It functions as a bronsted acid, a molecular entity capable of donating a hydron to an acceptor (Bronsted base) via oxoacid

   

6-Deoxyfagomine

2-methylpiperidine-3,4-diol

C6H13NO2 (131.0946238)


6-Deoxyfagomine is an alkaloid from the roots of Lycium chinense (Chinese boxthorn). Alkaloid from the roots of Lycium chinense (Chinese boxthorn)

   

L-Alloisoleucine

2-Amino-3-methyl-[S-(r*,s*)]-pentanoic acid

C6H13NO2 (131.0946238)


L-alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. It is a common constituent of human plasma (albeit at low levels). L-alloisoleucine is produced as a byproduct of isoleucine transamination. L-Isoleucine is one of the four common amino acids (the 3 others being threonine, hydroxyproline, and hydroxylysine) that have two asymmetric carbon atoms which produce four structural possibilities for the same chemical composition. L-alloisoleucine differs from L-isoleucine by having having different stereochemistry around its beta carbon. Plasma L-alloisoleucine, which is derived from L-isoleucine in vivo, can be used for the diagnosis of maple syrup urine disease (MSUD), a genetic disorder. Indeed, plasma L-alloisoleucine levels above 5 umol/L is the most specific and most sensitive diagnostic marker for all forms of MSUD (PMID: 10508118). In MSUD the degradation of the essential branched-chain L-amino acids leucine, valine, and isoleucine and their derived 2-oxoacids is impaired because of an inherited deficiency in branched-chain 2-oxoacid dehydrogenase complex (EC 1.2.4.4) activity. The accumulation of branched-chain compounds in blood and other body fluids can exert neurotoxic effects. L-alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. It is a common constituent of human plasma (albeit at low levels). L-alloisoleucine is produced as a byproduct of isoleucine transamination. L-Isoleucine is one of the four common amino acids (the 3 others being threonine, hydroxyproline, and hydroxylysine) that have two asymmetric carbon atoms which produce four structural possibilities for the same chemical composition. L-alloisoleucine differs from L-isoleucine by having having different stereochemistry around its beta carbon. Plasma L-alloisoleucine, which is derived from L-isoleucine in vivo, can be used for the diagnosis of maple syrup urine disease (MSUD). Indeed, plasma L-alloisoleucine levels above 5 umol/L is the most specific and most sensitive diagnostic marker for all forms of MSUD (PMID: 10508118). In MSUD the degradation of the essential branched-chain L-amino acids leucine, valine, and isoleucine and their derived 2-oxoacids is impaired because of an inherited deficiency in branched-chain 2-oxoacid dehydrogenase complex (EC 1.2.4.4) activity. The accumulation of branched-chain compounds in blood and other body fluids can exert neurotoxic effects. [HMDB] L-Alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. L-Alloisoleucine is a common constituent of human plasma (albeit at low levels).

   

3-Aminocaproic acid

3-amino-hexanoic acid

C6H13NO2 (131.0946238)


not found

   

(±)-2-Propylthiazolidine

2-propyl-1,3-thiazolidine

C6H13NS (131.0768658)


(±)-2-Propylthiazolidine is a flavouring ingredient. Flavouring ingredient

   

N-(2-Hydroxyethyl)-morpholine

N-(2-Hydroxyethyl)-morpholine

C6H13NO2 (131.0946238)


N-(2-Hydroxyethyl)-morpholine is a metabolite of mycophenolate mofetil. Mycophenolate mofetil (MMF) (brand names CellCept, Myfortic) is an immunosuppressant and prodrug of mycophenolic acid, used extensively in transplant medicine. It is a reversible inhibitor of inosine monophosphate dehydrogenase (IMPDH) in purine biosynthesis which is necessary for the growth of T cells and B cells. Other cells are able to recover purines via a separate, scavenger, pathway and are, thus, able to escape the effect. MMF is a less toxic alternative to azathioprine. (Wikipedia)

   
   

N-Hydroxy-L-proline

1-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


   

1-Hydroxypyrrolidine-3-carboxylic acid

1-Hydroxypyrrolidine-3-carboxylic acid

C5H9NO3 (131.0582404)


   

1-Methylindole

1-Methylindole monopicrate

C9H9N (131.0734954)


   

1,2-Dihydroisoquinoline

1,2-dihydroisoquinoline

C9H9N (131.0734954)


   

1,2-Dihydroquinoline

1,2-Dihydroquinoline

C9H9N (131.0734954)


   

2-Amino-4-oxopentanoic acid

2-Amino-4-oxopentanoic acid

C5H9NO3 (131.0582404)


   

2-Methylindole

2-Methylindole sodium salt

C9H9N (131.0734954)


   

3-Amino-4-methylpentanoic acid

3-Amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


3-Amino-4-methylpentanoic acid is a beta amino acid and positional isomer of L-leucine which is naturally produced in humans via the metabolism of L-leucine by the enzyme leucine 2,3-aminomutase.

   

3-Hydroxyproline

(2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


Constituent of collagen. L-trans-3-Hydroxy-2-pyrrolidinecarboxylic acid is found in animal foods.

   

4-Amino-5-oxo-pentanoic acid

4-AMINO-5-OXO-PENTANOIC ACID

C5H9NO3 (131.0582404)


   

Glutaramic acid

4-(Aminocarbonyl)butanoic acid

C5H9NO3 (131.0582404)


   

5-Hydroxyproline

5-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


   

6-Chlorohexanenitrile

6-Chlorohexanenitrile

C6H10ClN (131.050173)


   

Asparaginamide

2-Aminobutanediimidate

C4H9N3O2 (131.06947340000002)


   

1,2,3-Benzotriazine

1,2,3-Benzotriazine

C7H5N3 (131.048345)


   

DL-Norleucine

Norleucine, L-isomer

C6H13NO2 (131.0946238)


   

indol-2-one

2H-indol-2-one

C8H5NO (131.037112)


   

L-Valine, methyl ester

methyl 2-amino-3-methylbutanoate

C6H13NO2 (131.0946238)


   

N-Acetyl-DL-alanine

2-acetamidopropanoic acid

C5H9NO3 (131.0582404)


   

N-Propyl-N-nitrosourea

N-Nitroso-N-propylurea

C4H9N3O2 (131.06947340000002)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

Pyrido(3,2-D)pyrimidine

Pyrido(3,2-D)pyrimidine

C7H5N3 (131.048345)


   

pyrrolodiazepine

pyrrolo[3,2-c][1,2]diazepine

C7H5N3 (131.048345)


   

1-Hydroxy-5,5-dimethylpyrrolidin-2-ol

1-Hydroxy-5,5-dimethylpyrrolidin-2-ol

C6H13NO2 (131.0946238)


   

2,4,5-Trimethyl-1,3-thiazolidine

2,4,5-Trimethyl-1,3-thiazolidine

C6H13NS (131.0768658)


   

beta-alanine betaine

Beta-alanine betaine

C6H13NO2 (131.0946238)


beta-alanine betaine, also known as beta-homobetaine or propiobetaine, is a member of the class of compounds known as tetraalkylammonium salts. Tetraalkylammonium salts are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. beta-alanine betaine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). beta-alanine betaine can be found in a number of food items such as cabbage, ohelo berry, olive, and common salsify, which makes beta-alanine betaine a potential biomarker for the consumption of these food products.

   

Leucine

L-Leucine

C6H13NO2 (131.0946238)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1].

   

N-Acetylalanine

N-Acetyl-L-alanine

C5H9NO3 (131.0582404)


Ac-Ala-OH is an endogenous metabolite.

   

creatine

creatine

C4H9N3O2 (131.06947340000002)


Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain. Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain.

   

Isoleucine

L-Isoleucine

C6H13NO2 (131.0946238)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid. L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid.

   

Hydroxyproline

trans-4-hydroxy-L-proline

C5H9NO3 (131.0582404)


L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals.

   

Ro 07-7957

trans-L-2-Amino-4-methoxy-3-butenoic acid

C5H9NO3 (131.0582404)


   
   

4-Amino-5-oxo-pentanoic acid

(S)-4-Amino-5-oxo-pentanoic acid

C5H9NO3 (131.0582404)


   

trimethylalanine

Beta-alanine betaine

C6H13NO2 (131.0946238)


A beta-alanine derivative arising from quaternisation of the nitrogen of beta-alanine with three methyl groups and removal of the proton attached to the carboxy group. It is an osmoprotective compound accumulated by most members of the highly stress-tolerant Plumbaginaceae family. β-alanine betaine, also known as beta-homobetaine or propiobetaine, is a member of the class of compounds known as tetraalkylammonium salts. Tetraalkylammonium salts are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains. β-alanine betaine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). β-alanine betaine can be found in a number of food items such as cabbage, ohelo berry, olive, and common salsify, which makes β-alanine betaine a potential biomarker for the consumption of these food products.

   

6-Methyl indole

6-Methyl-1H-indole

C9H9N (131.0734954)


   

4-hydroxyproline

cis-4-Hydroxy-L-proline

C5H9NO3 (131.0582404)


A monohydroxyproline where the hydroxy group is located at the 4-position. It is found in fibrillar collagen. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; PMMYEEVYMWASQN_STSL_0115_4-Hydroxyproline_8000fmol_180430_S2_LC02_MS02_67; 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. cis-4-Hydroxy-L-proline, a proline analogue, is an inhibitor of collagen production. cis-4-Hydroxy-L-proline could inhibit fibroblast growth by preventing the deposition of triple-helical collagen on the cell layer. cis-4-Hydroxy-L-proline also depresses the growth of primary N-nitrosomethylurea-induced rat mammary tumors[1][2][3][4]. cis-4-Hydroxy-L-proline, a proline analogue, is an inhibitor of collagen production. cis-4-Hydroxy-L-proline could inhibit fibroblast growth by preventing the deposition of triple-helical collagen on the cell layer. cis-4-Hydroxy-L-proline also depresses the growth of primary N-nitrosomethylurea-induced rat mammary tumors[1][2][3][4]. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals. L-Hydroxyproline, one of the hydroxyproline (Hyp) isomers, is a useful chiral building block in the production of many pharmaceuticals.

   

6-Methylindole

6-Methylindole

C9H9N (131.0734954)


   
   

2-METHYLINDOLE

2-METHYLINDOLE

C9H9N (131.0734954)


CONFIDENCE standard compound; INTERNAL_ID 8018

   

3-Methylvaline

DL-tert-Leucine

C6H13NO2 (131.0946238)


   

indol-3-one

indol-3-one

C8H5NO (131.037112)


   

4-Ethyl-2-oxazolidinethione

4-Ethyl-2-oxazolidinethione

C5H9NOS (131.0404824)


   

4-hydroxyimino-2-methylpentan-2-ol

4-hydroxyimino-2-methylpentan-2-ol

C6H13NO2 (131.0946238)


   

5,5-dimethyl-1,3-oxazolidine-2-thione

5,5-dimethyl-1,3-oxazolidine-2-thione

C5H9NOS (131.0404824)


   

penangin|penangine

penangin|penangine

C5H9NOS (131.0404824)


   

2-amino-4-methoxybut-3-enoic acid

2-amino-4-methoxybut-3-enoic acid

C5H9NO3 (131.0582404)


   

methyl 2-amino-2-methylbutanoate

methyl 2-amino-2-methylbutanoate

C6H13NO2 (131.0946238)


   

6-(hydroxymethyl)piperidin-3-ol

6-(hydroxymethyl)piperidin-3-ol

C6H13NO2 (131.0946238)


   

ethyl 3-aminobutanoate

ethyl 3-aminobutanoate

C6H13NO2 (131.0946238)


   

DL-1-Hydroxyproline

DL-1-Hydroxyproline

C5H9NO3 (131.0582404)


   

3-Amino-2-methylpentanoic acid

3-Amino-2-methylpentanoic acid

C6H13NO2 (131.0946238)


   

2,6-dimethylbenzonitrile|2,6-dimethylphenyl isocyanate|2,6-dimethylphenyl isocyanide|2,6-dimethylphenylisocyanide|2,6-xylyl isocyanide|2-cyano-m-xylene|dimethylphenyl isocyanide

2,6-dimethylbenzonitrile|2,6-dimethylphenyl isocyanate|2,6-dimethylphenyl isocyanide|2,6-dimethylphenylisocyanide|2,6-xylyl isocyanide|2-cyano-m-xylene|dimethylphenyl isocyanide

C9H9N (131.0734954)


   

3,4-Dimethyl-1-benzonitrile|3,4-Dimethyl-benzonitril|3,4-dimethyl-benzonitrile|3,4-dimethylbenzonitrile|3,4-dimethylbenzylnitrile|3,4-o-xylonitrile|4-cyano-o-xylene|Nitrile-3,4-Dimethylbenzoic acid|Xylylic acid nitrile

3,4-Dimethyl-1-benzonitrile|3,4-Dimethyl-benzonitril|3,4-dimethyl-benzonitrile|3,4-dimethylbenzonitrile|3,4-dimethylbenzylnitrile|3,4-o-xylonitrile|4-cyano-o-xylene|Nitrile-3,4-Dimethylbenzoic acid|Xylylic acid nitrile

C9H9N (131.0734954)


   

2,3-Aziridinedicarboxylic acid

aziridine-2,3-dicarboxylic acid

C4H5NO4 (131.021857)


   

5-METHYLINDOLE

5-METHYLINDOLE

C9H9N (131.0734954)


   

2,3-Dimethyl-benzonitril|2,3-dimethyl-benzonitrile|2,3-dimethylbenzonitrile|dimethyl benzonitrile

2,3-Dimethyl-benzonitril|2,3-dimethyl-benzonitrile|2,3-dimethylbenzonitrile|dimethyl benzonitrile

C9H9N (131.0734954)


   

1-cyano-4-ethylbenzene|4-cyanoethylbenzene|4-ethyl-benzonitrile|4-ethylbenzonitrile|4-EtPhCN|p-cyanoethylbenzene|p-ethylbenzonitrile

1-cyano-4-ethylbenzene|4-cyanoethylbenzene|4-ethyl-benzonitrile|4-ethylbenzonitrile|4-EtPhCN|p-cyanoethylbenzene|p-ethylbenzonitrile

C9H9N (131.0734954)


   

4-OXIMINOVALERIC ACID

4-OXIMINOVALERIC ACID

C5H9NO3 (131.0582404)


   
   

1-Oxoisoindole

1-Oxoisoindole

C8H5NO (131.037112)


   

4-hydroxy-N,N-dimethylbutanamide

4-hydroxy-N,N-dimethylbutanamide

C6H13NO2 (131.0946238)


   

3,4-dihydroxypiperidin-2-one

3,4-dihydroxypiperidin-2-one

C5H9NO3 (131.0582404)


   

Amide -(()-2-Hydroxy-4-methylpentanoic acid

Amide -(()-2-Hydroxy-4-methylpentanoic acid

C6H13NO2 (131.0946238)


   

1-cyano-3-ethylbenzene|3-Aethyl-benzonitril|3-Ethyl-benzoenitril|3-ethyl-benzonitrile|3-Ethylbenzonitril|m-cyanoethylbenzene|m-ethylbenzonitrile

1-cyano-3-ethylbenzene|3-Aethyl-benzonitril|3-Ethyl-benzoenitril|3-ethyl-benzonitrile|3-Ethylbenzonitril|m-cyanoethylbenzene|m-ethylbenzonitrile

C9H9N (131.0734954)


   

ethyl 2-hydroxyiminopropionate

ethyl 2-hydroxyiminopropionate

C5H9NO3 (131.0582404)


   

4-Methylindole

4-Methylindole

C9H9N (131.0734954)


   

2,5-Dimethyl-1-benzonitrile|2,5-Dimethyl-benzonitril|2,5-dimethyl-benzonitrile|2,5-dimethylbenzonitrile|2,5-dimethylcyanobenzene|2,5-p-xylonitrile|2-cyano-1,4-dimethylbenzene|Nitrile-2,5-Dimethylbenzoic acid

2,5-Dimethyl-1-benzonitrile|2,5-Dimethyl-benzonitril|2,5-dimethyl-benzonitrile|2,5-dimethylbenzonitrile|2,5-dimethylcyanobenzene|2,5-p-xylonitrile|2-cyano-1,4-dimethylbenzene|Nitrile-2,5-Dimethylbenzoic acid

C9H9N (131.0734954)


   

5-amino-2-methylpentanoic acid

5-amino-2-methylpentanoic acid

C6H13NO2 (131.0946238)


   

Methyl Succinamate

Methyl Succinamate

C5H9NO3 (131.0582404)


   

6-Methyl-1,3-oxazinane-2-thione

6-Methyl-1,3-oxazinane-2-thione

C5H9NOS (131.0404824)


   

4-(dimethylamino)butanoic acid

4-(dimethylamino)butanoic acid

C6H13NO2 (131.0946238)


   

Ethyl 3-amino-3-oxopropanoate

Ethyl 3-amino-3-oxopropanoate

C5H9NO3 (131.0582404)


   

methyl 2-methyl-3-(methylamino)propanoate

methyl 2-methyl-3-(methylamino)propanoate

C6H13NO2 (131.0946238)


   

7-Methylindole

7-Methylindole

C9H9N (131.0734954)


   

N-Acetyl-N-methoxyacetamide

N-Acetyl-N-methoxyacetamide

C5H9NO3 (131.0582404)


   

1,2-dihydroisoquinoline

1,2-dihydroisoquinoline

C9H9N (131.0734954)


   

Isoleucine

2-Amino-3-methylpentanoic acid

C6H13NO2 (131.0946238)


A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration. A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. CONFIDENCE standard compound; INTERNAL_ID 5153 Acquisition and generation of the data is financially supported by the Max-Planck-Society L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid. L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid.

   

DL-Leucine

2-Amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.062 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055

   

L-Isoleucine

L-Isoleucine

C6H13NO2 (131.0946238)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; AGPKZVBTJJNPAG-WHFBIAKZSA-N_STSL_0101_Isoleucine_8000fmol_180425_S2_LC02_MS02_58; 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. CONFIDENCE standard compound; INTERNAL_ID 8 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid. L-isoleucine is a nonpolar hydrophobic amino acid[1]. L-Isoleucine is an essential amino acid.

   

creatine

Creatine,anhydrous

C4H9N3O2 (131.06947340000002)


A glycine derivative having methyl and amidino groups attached to the nitrogen. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; CVSVTCORWBXHQV-UHFFFAOYSA-N_STSL_0071_Creatine_8000fmol_180416_S2_LC02_MS02_77; 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. Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain. Creatine, an endogenous amino acid derivative, plays an important role in cellular energy, especially in muscle and brain.

   

Norleucine

L-Norleucine

C6H13NO2 (131.0946238)


L-Norleucine ((S)-2-Aminohexanoic acid) is an isomer of leucine, specifically affects protein synthesis in skeletal muscle, and has antivirus activity.

   

N-Acetyl-L-alanine

N-Acetyl-L-alanine

C5H9NO3 (131.0582404)


An N-acetyl-L-amino acid that is L-alanine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group. C26170 - Protective Agent > C275 - Antioxidant Ac-Ala-OH is an endogenous metabolite.

   

cis-4-hydroxyproline

cis-4-Hydroxy-D-proline

C5H9NO3 (131.0582404)


A 4-hydroxy-D-proline in which the hydroxy group at position 4 has R-configuration. cis-4-Hydroxy-D-proline is a precursor of conformationally restricted PNA adenine monomer. cis-4-Hydroxy-D-proline can be used to study the specificity and kinetics of D-alanine dehydrogenase[1][2].

   

L-Leucine

L-Leucine, (Cell Culture Reagent, Crystalline)

C6H13NO2 (131.0946238)


Flavouring ingredient; dietary supplement, nutrient. L-Leucine is found in many foods, some of which are lettuce, common bean, pacific herring, and kefir. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ROHFNLRQFUQHCH-YFKPBYRVSA-N_STSL_0102_Leucine_8000fmol_180425_S2_LC02_MS02_19; 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. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1]. L-Leucine is an essential branched-chain amino acid (BCAA), which activates the mTOR signaling pathway[1].

   

L-Norleucine

(2S)-2-aminohexanoic acid

C6H13NO2 (131.0946238)


A non-proteinogenic L-alpha-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally. L-Norleucine ((S)-2-Aminohexanoic acid) is an isomer of leucine, specifically affects protein synthesis in skeletal muscle, and has antivirus activity.

   

RGX-202

3-Guanidinopropionic acid

C4H9N3O2 (131.06947340000002)


C274 - Antineoplastic Agent > C177430 - Agent Targeting Cancer Metabolism

   

Aminolevulinic Acid

delta-Aminolevulinic acid hydrochloride

C5H9NO3 (131.0582404)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XD - Sensitizers used in photodynamic/radiation therapy D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C1420 - Photosensitizing Agent D003879 - Dermatologic Agents

   

6-Aminocaproic acid

6-Aminohexanoic acid

C6H13NO2 (131.0946238)


6-Aminocaproic acid (EACA), a monoamino carboxylic acid, is a potent and orally active inhibitor of plasmin and plasminogen. 6-Aminocaproic acid is a potent antifibrinolytic agent. 6-Aminocaproic acid prevents clot lysis through the competitive binding of lysine residues on plasminogen, inhibiting plasmin formation and reducing fibrinolysis. 6-Aminocaproic acid can be used for the research of bleeding disorders[1][2].

   

L-beta-homovaline-HCl

L-beta-homovaline-HCl

C6H13NO2 (131.0946238)


   

L-allo-Isoleucine

L-allo-Isoleucine

C6H13NO2 (131.0946238)


L-Alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. L-Alloisoleucine is a common constituent of human plasma (albeit at low levels).

   

e-Aminocaproic acid

e-Aminocaproic acid

C6H13NO2 (131.0946238)


6-Aminocaproic acid (EACA), a monoamino carboxylic acid, is a potent and orally active inhibitor of plasmin and plasminogen. 6-Aminocaproic acid is a potent antifibrinolytic agent. 6-Aminocaproic acid prevents clot lysis through the competitive binding of lysine residues on plasminogen, inhibiting plasmin formation and reducing fibrinolysis. 6-Aminocaproic acid can be used for the research of bleeding disorders[1][2].

   

3-Methylindole

3-Methylindole

C9H9N (131.0734954)


Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1]. Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1].

   

Propionylglycine

Propionyl Glycine

C5H9NO3 (131.0582404)


A N-acylglycine obtained by formal condensation of the carboxy group of propionic acid with the amino group of glycine. Propionylglycine is a peptide[1].

   

Aminocaproic acid

6-Aminocaproic acid

C6H13NO2 (131.0946238)


B - Blood and blood forming organs > B02 - Antihemorrhagics > B02A - Antifibrinolytics > B02AA - Amino acids D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics C78275 - Agent Affecting Blood or Body Fluid > C78311 - Hemostatic Agent D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents 6-Aminocaproic acid (EACA), a monoamino carboxylic acid, is a potent and orally active inhibitor of plasmin and plasminogen. 6-Aminocaproic acid is a potent antifibrinolytic agent. 6-Aminocaproic acid prevents clot lysis through the competitive binding of lysine residues on plasminogen, inhibiting plasmin formation and reducing fibrinolysis. 6-Aminocaproic acid can be used for the research of bleeding disorders[1][2].

   

Beta-Leucine

3-Amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


A beta-amino acid that is pentanoic acid substituted at positions 3 and 4 by amino and methyl groups respectively. 3-Amino-4-methylpentanoic acid is a beta amino acid and positional isomer of L-leucine which is naturally produced in humans via the metabolism of L-leucine by the enzyme leucine 2,3-aminomutase.

   

2-Propanamidoacetic acid

2-Propanamidoacetic acid

C5H9NO3 (131.0582404)


   
   

3-Hydroxyproline

3-Hydroxyproline

C5H9NO3 (131.0582404)


A hydroxyproline in which the hydroxy substituent is located at position C3.

   
   

N-Acetylalanine

N-Acetyl-L-alanine

C5H9NO3 (131.0582404)


Ac-Ala-OH is an endogenous metabolite.

   
   

Skatole

3-Methylindole

C9H9N (131.0734954)


A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract. Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1]. Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1].

   

trans-4-Hydroxyproline

trans-4-Hydroxyproline

C5H9NO3 (131.0582404)


   

4-Hydroxy-L-proline

4-Hydroxy-L-proline

C5H9NO3 (131.0582404)


The L-stereoisomer of 4-hydroxyproline.

   

5-Aminolevulinic acid

5-Aminolevulinic acid

C5H9NO3 (131.0582404)


The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.

   

cis-4-Hydroxy-D-proline

cis-4-Hydroxy-D-proline

C5H9NO3 (131.0582404)


   

L-tert-Leucine

(2S)-2-amino-3,3-dimethyl-butanoic acid

C6H13NO2 (131.0946238)


CONFIDENCE standard compound; INTERNAL_ID 21

   

DL-Norleucine

DL-Norleucine

C6H13NO2 (131.0946238)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LRQKBLKVPFOOQJ-UHFFFAOYSA-N_STSL_0189_Norleucine_8000fmol_180831_S2_L02M02_35; 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.

   

Alanine betaine

Alanine betaine

C6H13NO2 (131.0946238)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; CJKONRHMUGBAQI-UHFFFAOYSA-N_STSL_0044_alanine betaine_0125fmol_180407_S2_LC02_MS02_24; 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.

   

Isoleucine (Not validated)

Isoleucine (Not validated)

C6H13NO2 (131.0946238)


Annotation level-2 Annotation level-3

   

DL-Isoleucine

(±)-erythro-Isoleucine

C6H13NO2 (131.0946238)


   

4-Hydroxy-2-pyrrolidinecarboxylic acid

4-Hydroxy-2-pyrrolidinecarboxylic acid

C5H9NO3 (131.0582404)


   

2-Amino-4-methylpentanoic acid

Butyl (R)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside]

C6H13NO2 (131.0946238)


Isolated from Cape gooseberry Physalis peruviana. Butyl (R)-3-hydroxybutyrate [arabinosyl-(1->6)-glucoside] is found in fruits.

   
   

D-ALLO-HYDROXYPROLINE

D-ALLO-HYDROXYPROLINE

C5H9NO3 (131.0582404)


   
   

Leucine; LC-tDDA; CE10

Leucine; LC-tDDA; CE10

C6H13NO2 (131.0946238)


   

Norleucine; LC-tDDA; CE10

Norleucine; LC-tDDA; CE10

C6H13NO2 (131.0946238)


   

4-Hydroxyproline; LC-tDDA; CE10

4-Hydroxyproline; LC-tDDA; CE10

C5H9NO3 (131.0582404)


   

5-Aminolevulinate

5-Aminolevulinate

C5H9NO3 (131.0582404)


   

trans-4-hydroxy-L-proline

trans-4-hydroxy-L-proline

C5H9NO3 (131.0582404)


   

Allo-isoleucine

2-Amino-3-methyl-[S-(r*,s*)]-pentanoic acid

C6H13NO2 (131.0946238)


L-Alloisoleucine is a branched chain amino acid and is a stereo-isomer of L-isoleucine. L-Alloisoleucine is a common constituent of human plasma (albeit at low levels).

   

N-ACETYL-ALANINE

N-ACETYL-ALANINE

C5H9NO3 (131.0582404)


   

IS_LEUCINE-5,5,5-D3

IS_LEUCINE-5,5,5-D3

C6H13NO2 (131.0946238)


   

Skatole_major

Skatole_major

C9H9N (131.0734954)


   

3-Hydroxy-L-proline

(2S,3S)-(-)-3-Hydroxy-2-pyrrolinecarboxylic acid

C5H9NO3 (131.0582404)


The L-stereoisomer of 3-hydroxyproline.

   

L-Alanine, N-propyl-

L-Alanine, N-propyl-

C6H13NO2 (131.0946238)


   

N-Methoxydiacetamide

N,N-Diacetyl-O-methylhydroxylamine

C5H9NO3 (131.0582404)


   

2S-Amino-3S-methylpentanoic acid

2S-Amino-3S-methylpentanoic acid

C6H13NO2 (131.0946238)


   

Acetylalanine

(2S)-2-acetamidopropanoic acid

C5H9NO3 (131.0582404)


C26170 - Protective Agent > C275 - Antioxidant Ac-Ala-OH is an endogenous metabolite.

   

N-Acetylglycine methyl ester

N-Acetylglycine methyl ester

C5H9NO3 (131.0582404)


   

5-amino-levulinic acid

4-oxo-5-amino-pentanoic acid

C5H9NO3 (131.0582404)


   

Nitrohexane

1-nitrohexane

C6H13NO2 (131.0946238)


   

3-Aminocaproate

3-amino-hexanoic acid

C6H13NO2 (131.0946238)


   

Phenethyl cyanide

beta-Phenyl propionitrile

C9H9N (131.0734954)


   

6-Deoxyfagomine

2-methylpiperidine-3,4-diol

C6H13NO2 (131.0946238)


   

oxyproline

4-Hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


   

2-propyl-1,3-thiazolidine

(±)-2-Propylthiazolidine

C6H13NS (131.0768658)


   

5-Amino-2-oxopentanoic acid

2-oxo-5-amino-pentanoic acid

C5H9NO3 (131.0582404)


The 2-oxo-5-amino derivative of valeric acid.

   

2-Amino-4-oxopentanoic acid

2-amino-4-oxo-pentanoic acid

C5H9NO3 (131.0582404)


A derivative of valeric acid having amino and oxo substituents at the 2- and 4-positions respectively.

   

Iminoaspartic acid

2-imino-butanedioic acid

C4H5NO4 (131.021857)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids A succinic acid derivative having an imino group at the 2-position.

   

glutaramic acid

4-(aminocarbonyl)butanoic acid;4-carbamoylbutanoic acid;4-carbamoylbutyric acid;4-carboxybutyramide;glutaramic acid;glutaric acid monoamide

C5H9NO3 (131.0582404)


   

4-AMINO-2,6-DIFLUOROPYRIMIDINE

4-AMINO-2,6-DIFLUOROPYRIMIDINE

C4H3F2N3 (131.0295022)


   

Thiomorpholine, 3,4-dimethyl- (9CI)

Thiomorpholine, 3,4-dimethyl- (9CI)

C6H13NS (131.0768658)


   

5-(chloromethyl)-1-methyl-1,2,4-triazole

5-(chloromethyl)-1-methyl-1,2,4-triazole

C4H6ClN3 (131.0250226)


   

2-HYDROXY-N,N-DIETHYLACETAMIDE

2-HYDROXY-N,N-DIETHYLACETAMIDE

C6H13NO2 (131.0946238)


   

4-Methyindole

4-Methyindole

C9H9N (131.0734954)


   

P-Tolyacetonitrile

P-Tolyacetonitrile

C9H9N (131.0734954)


   

2-Morpholinoethanol

2-Morpholinoethanol

C6H13NO2 (131.0946238)


   

3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole

3-(Chloromethyl)-1-methyl-1H-1,2,4-triazole

C4H6ClN3 (131.0250226)


   

3,4-Dimethylbenzonitrile

3,4-Dimethylbenzonitrile

C9H9N (131.0734954)


   

2-(2-Methyl-1,3-dioxolan-2-yl)ethanamine

2-(2-Methyl-1,3-dioxolan-2-yl)ethanamine

C6H13NO2 (131.0946238)


   

3-METHYLBENZYLISOCYANIDE

3-METHYLBENZYLISOCYANIDE

C9H9N (131.0734954)


   

3-Amino-2,2-dimethyl-3-oxopropanoic acid

3-Amino-2,2-dimethyl-3-oxopropanoic acid

C5H9NO3 (131.0582404)


   

1-METHOXY-PROP-2-YL ISOTHIOCYANATE

1-METHOXY-PROP-2-YL ISOTHIOCYANATE

C5H9NOS (131.0404824)


   

Methyl N-formyl-β-alaninate

Methyl N-formyl-β-alaninate

C5H9NO3 (131.0582404)


   

3-ETHYNYLISONICOTINALDEHYDE

3-ETHYNYLISONICOTINALDEHYDE

C8H5NO (131.037112)


   

methyl 4-(methylamino)butanoate

methyl 4-(methylamino)butanoate

C6H13NO2 (131.0946238)


   

1-methylpiperidine-3,5-diol

1-methylpiperidine-3,5-diol

C6H13NO2 (131.0946238)


   

Methyl 3-(dimethylamino)propanoate

Methyl 3-(dimethylamino)propanoate

C6H13NO2 (131.0946238)


   

CIS-4-(DIMETHYLAMINO)TETRAHYDROFURAN-3-OL

CIS-4-(DIMETHYLAMINO)TETRAHYDROFURAN-3-OL

C6H13NO2 (131.0946238)


   

2-Ethynyl-4-methylaniline

2-Ethynyl-4-methylaniline

C9H9N (131.0734954)


   

(S)-3-Morpholinecarboxylic Acid

(S)-3-Morpholinecarboxylic Acid

C5H9NO3 (131.0582404)


   

2 5-DIMETHYLPHENYL ISOCYANIDE

2 5-DIMETHYLPHENYL ISOCYANIDE

C9H9N (131.0734954)


   

2-Ethynyl-4-aminotoluene

2-Ethynyl-4-aminotoluene

C9H9N (131.0734954)


   

(R)-4-METHYLTHIOMANDELICACID

(R)-4-METHYLTHIOMANDELICACID

C5H9NO3 (131.0582404)


   

3-phenylprop-2-yn-1-amine

3-phenylprop-2-yn-1-amine

C9H9N (131.0734954)


   

isoindol-1-one

isoindol-1-one

C8H5NO (131.037112)


   

trimethylsilyl isothiocyanate

trimethylsilyl isothiocyanate

C4H9NSSi (131.0224954)


   

(R)-3-Aminobutyricacidethylester

(R)-3-Aminobutyricacidethylester

C6H13NO2 (131.0946238)


   

2-Amino-2-ethylbutanoic acid

2-Amino-2-ethylbutanoic acid

C6H13NO2 (131.0946238)


   

Alanine, 2-methyl-,ethyl ester

Alanine, 2-methyl-,ethyl ester

C6H13NO2 (131.0946238)


   
   
   

1-chloro-3,5-dimethoxy-2-nitrobenzene

1-chloro-3,5-dimethoxy-2-nitrobenzene

C9H9N (131.0734954)


   

1-Cyclopropyl-2-nitroethanol

1-Cyclopropyl-2-nitroethanol

C5H9NO3 (131.0582404)


   

N-Methoxy-N,2-dimethylpropanamide

N-Methoxy-N,2-dimethylpropanamide

C6H13NO2 (131.0946238)


   

N-METHOXY-N-METHYLBUTYRAMIDE

N-METHOXY-N-METHYLBUTYRAMIDE

C6H13NO2 (131.0946238)


   

Methyl 5-aminopentanoate

Methyl 5-aminopentanoate

C6H13NO2 (131.0946238)


   
   

Acetone Thiosemicarbazone

Acetone Thiosemicarbazone

C4H9N3S (131.0517154)


   
   

N-Formylglycine ethyl ester

N-Formylglycine ethyl ester

C5H9NO3 (131.0582404)


   

2,2-difluoropropylamine hydrochloride

2,2-difluoropropylamine hydrochloride

C3H8ClF2N (131.0313302)


   

2,2-difluoro-N-methylethanamine hydrochloride

2,2-difluoro-N-methylethanamine hydrochloride

C3H8ClF2N (131.0313302)


   

(r)-2-amino-2-methyl-pentanoic acid

(r)-2-amino-2-methyl-pentanoic acid

C6H13NO2 (131.0946238)


   
   

morpholine-4-carboxylic acid

morpholine-4-carboxylic acid

C5H9NO3 (131.0582404)


   

3-(HYDROXYMETHYL)PIPERIDIN-4-OL

3-(HYDROXYMETHYL)PIPERIDIN-4-OL

C6H13NO2 (131.0946238)


   

1-(NITROMETHYL)CYCLOBUTANOL

1-(NITROMETHYL)CYCLOBUTANOL

C5H9NO3 (131.0582404)


   

Alanine,N,2-dimethyl-,methylester(9CI)

Alanine,N,2-dimethyl-,methylester(9CI)

C6H13NO2 (131.0946238)


   

(R)-5-(METHOXYMETHYL)OXAZOLIDIN-2-ONE

(R)-5-(METHOXYMETHYL)OXAZOLIDIN-2-ONE

C5H9NO3 (131.0582404)


   

2-amino-2-(oxetan-3-yl)aceticacid

2-amino-2-(oxetan-3-yl)aceticacid

C5H9NO3 (131.0582404)


   

N-Benzyloxycarbonyl-6-aminohexanoic acid

N-Benzyloxycarbonyl-6-aminohexanoic acid

C6H13NO2 (131.0946238)


   

4-(DIMETHYLAMINO)TETRAHYDROFURAN-3-OL

4-(DIMETHYLAMINO)TETRAHYDROFURAN-3-OL

C6H13NO2 (131.0946238)


   

3-Morpholinecarboxylic acid

3-Morpholinecarboxylic acid

C5H9NO3 (131.0582404)


   

3-Aminopyridazine hydrochloride

3-Aminopyridazine hydrochloride

C4H6ClN3 (131.0250226)


   

2,2-Dimethyl-1,3-dioxolane-4-methanamine

2,2-Dimethyl-1,3-dioxolane-4-methanamine

C6H13NO2 (131.0946238)


   

2,6-dimethylphenyl isocyanide

2,6-dimethylphenyl isocyanide

C9H9N (131.0734954)


   

pyrido[3,2-d]pyrimidine

Pyrido[3,2-d]pyrimidine (7CI,8CI,9CI)

C7H5N3 (131.048345)


   

2-METHYLBENZYLISOCYANIDE

2-METHYLBENZYLISOCYANIDE

C9H9N (131.0734954)


   

3-(Hydroxymethyl)-3-piperidinol

3-(Hydroxymethyl)-3-piperidinol

C6H13NO2 (131.0946238)


   

4-HYDROXY-BUTYRIMIDIC ACID ETHYL ESTER

4-HYDROXY-BUTYRIMIDIC ACID ETHYL ESTER

C6H13NO2 (131.0946238)


   

(1-Isocyanoethyl)benzene

(1-Isocyanoethyl)benzene

C9H9N (131.0734954)


   

1,4-Thiazepin-5(2H)-one,tetrahydro-

1,4-Thiazepin-5(2H)-one,tetrahydro-

C5H9NOS (131.0404824)


   

4-AMINO-2-METHYLBUTANOIC ACID

4-AMINO-2-METHYLBUTANOIC ACID

C6H13NO2 (131.0946238)


   

N-METHYL-L-VALINE

N-METHYL-L-VALINE

C6H13NO2 (131.0946238)


An optically active form of N-methylvaline having L-configuration.

   

N-ME-L-2-AMINOVALERIC ACID

N-ME-L-2-AMINOVALERIC ACID

C6H13NO2 (131.0946238)


   

Benzenamine,N-2-propyn-1-yl-

Benzenamine,N-2-propyn-1-yl-

C9H9N (131.0734954)


   

(2R)-2-azanyl-4-methylpentanoic acid

(2R)-2-azanyl-4-methylpentanoic acid

C6H13NO2 (131.0946238)


   

methyl n-acetylglycinate

Methyl 2-acetamidoacetate

C5H9NO3 (131.0582404)


   

4-Methyl-2-morpholinemethanol

4-Methyl-2-morpholinemethanol

C6H13NO2 (131.0946238)


   

Tripropargylamine

Tripropargylamine

C9H9N (131.0734954)


   

Ethyl-3-amino-2-methylpropanoat

Ethyl-3-amino-2-methylpropanoat

C6H13NO2 (131.0946238)


   

(S)-2-amino-2,3-dimethylbutanoic acid

(S)-2-amino-2,3-dimethylbutanoic acid

C6H13NO2 (131.0946238)


   

N-Methoxy-N-methyl-2-oxopropanamide

N-Methoxy-N-methyl-2-oxopropanamide

C5H9NO3 (131.0582404)


   

methyl 3-aminooxetane-3-carboxylate

methyl 3-aminooxetane-3-carboxylate

C5H9NO3 (131.0582404)


   

3-(CHLOROMETHYL)-4-METHYL-4H-1,2,4-TRIAZOLE

3-(CHLOROMETHYL)-4-METHYL-4H-1,2,4-TRIAZOLE

C4H6ClN3 (131.0250226)


   

Hydroxylamine, O-acetyl-N-propionyl-

Hydroxylamine, O-acetyl-N-propionyl-

C5H9NO3 (131.0582404)


   

(S)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID

(S)-2-(AMINOMETHYL)-3-METHYLBUTANOIC ACID

C6H13NO2 (131.0946238)


   

3-Ethylbenzonitrile

3-Ethylbenzonitrile

C9H9N (131.0734954)


   

dimethylglycine ethyl ester

dimethylglycine ethyl ester

C6H13NO2 (131.0946238)


   

2,6-dimethylbenzonitrile

2,6-dimethylbenzonitrile

C9H9N (131.0734954)


   

(1R,2S)-(-)-ALPHA-(1-METHYLAMINOETHYL)BENZYLALCOHOLNITRATE

(1R,2S)-(-)-ALPHA-(1-METHYLAMINOETHYL)BENZYLALCOHOLNITRATE

C5H9NO3 (131.0582404)


   

2-Dimethylaminoethyl acetate

2-Dimethylaminoethyl acetate

C6H13NO2 (131.0946238)


   

ETHYLALFA-AMINOBUTYRATE

ETHYLALFA-AMINOBUTYRATE

C6H13NO2 (131.0946238)


   
   

4-nitro-tetrahydro-2H-pyran

4-nitro-tetrahydro-2H-pyran

C5H9NO3 (131.0582404)


   

tert-Butyl methylcarbamate

tert-Butyl methylcarbamate

C6H13NO2 (131.0946238)


   

2-Morpholinecarboxylic acid

2-Morpholinecarboxylic acid

C5H9NO3 (131.0582404)


   

Pentanoic acid,4-(hydroxyimino)-

Pentanoic acid,4-(hydroxyimino)-

C5H9NO3 (131.0582404)


   

D-valine, 2-methyl-

D-valine, 2-methyl-

C6H13NO2 (131.0946238)


   

Alanine, N-formyl-2-methyl- (6CI,9CI)

Alanine, N-formyl-2-methyl- (6CI,9CI)

C5H9NO3 (131.0582404)


   

2-Oxazolidinethione,4,4-dimethyl-

2-Oxazolidinethione,4,4-dimethyl-

C5H9NOS (131.0404824)


   

Pyrido[2,3-b]pyrazine

Pyrido[2,3-b]pyrazine

C7H5N3 (131.048345)


   

4,6-Difluoro-2-pyrimidinamine

4,6-Difluoro-2-pyrimidinamine

C4H3F2N3 (131.0295022)


   

3-Aminotetrahydrofuran-3-carboxylic acid

3-Aminotetrahydrofuran-3-carboxylic acid

C5H9NO3 (131.0582404)


   

ALPHA-METHYLPHENYLACETONITRILE

ALPHA-METHYLPHENYLACETONITRILE

C9H9N (131.0734954)


   

Ethyl 4-aminobutanoate

Ethyl 4-aminobutanoate

C6H13NO2 (131.0946238)


   

4-Chloro-5-methyl-1H-pyrazol-3-amine

4-Chloro-5-methyl-1H-pyrazol-3-amine

C4H6ClN3 (131.0250226)


   

4-Ethynyl-2,6-dimethylpyridine

4-Ethynyl-2,6-dimethylpyridine

C9H9N (131.0734954)


   

E-CHLOROCAPRONITRILE

6-Chlorohexanenitrile

C6H10ClN (131.050173)


   

(S)-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHANAMINE

(S)-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHANAMINE

C6H13NO2 (131.0946238)


   

Ethanone, 1-(2-thiazolidinyl)- (9CI)

Ethanone, 1-(2-thiazolidinyl)- (9CI)

C5H9NOS (131.0404824)


   

2-(Methoxymethyl)morpholine

2-(Methoxymethyl)morpholine

C6H13NO2 (131.0946238)


   

2-Amino-2-(3-tetrahydrofuranyl)ethanol

2-Amino-2-(3-tetrahydrofuranyl)ethanol

C6H13NO2 (131.0946238)


   

(2-ISOCYANOETHYL)BENZENE

(2-ISOCYANOETHYL)BENZENE

C9H9N (131.0734954)


   

Methyl 3-amino-2,2-dimethylpropanoate

Methyl 3-amino-2,2-dimethylpropanoate

C6H13NO2 (131.0946238)


   

4-chloro-4-methylpentanenitrile

4-chloro-4-methylpentanenitrile

C6H10ClN (131.050173)


   

2-Piperidinemethanol,3-hydroxy-

2-Piperidinemethanol,3-hydroxy-

C6H13NO2 (131.0946238)


   

Butanoic acid,3-amino-, ethyl ester

Butanoic acid,3-amino-, ethyl ester

C6H13NO2 (131.0946238)


   

rac 3-Hydroxybutyric Acid-d4 Sodium Salt

rac 3-Hydroxybutyric Acid-d4 Sodium Salt

C4H4D4NaO3 (131.062220512)


   
   

3-(Methoxymethyl)morpholine

3-(Methoxymethyl)morpholine

C6H13NO2 (131.0946238)


   

Alanine, N,N,2-trimethyl- (9CI)

Alanine, N,N,2-trimethyl- (9CI)

C6H13NO2 (131.0946238)


   

4-methythio-piperidine

4-methythio-piperidine

C6H13NS (131.0768658)


   

(S)-(-)-ALPHA-METHYLBENZYL ISOCYANIDE

(S)-(-)-ALPHA-METHYLBENZYL ISOCYANIDE

C9H9N (131.0734954)


   

5-ethynylpyridine-2-carbaldehyde

5-ethynylpyridine-2-carbaldehyde

C8H5NO (131.037112)


   

1,3,5-Triazine-2(1H)-thione,tetrahydro-5-methyl-

1,3,5-Triazine-2(1H)-thione,tetrahydro-5-methyl-

C4H9N3S (131.0517154)


   

Ethyl N-methyl-β-alaninate

Ethyl N-methyl-β-alaninate

C6H13NO2 (131.0946238)


   

6-ethynylpyridine-2-carbaldehyde

6-ethynylpyridine-2-carbaldehyde

C8H5NO (131.037112)


   

Carbamic acid,N-butyl-,methyl ester

Carbamic acid,N-butyl-,methyl ester

C6H13NO2 (131.0946238)


   

4-Cyanobenzaldehyde

4-Cyanobenzaldehyde

C8H5NO (131.037112)


   

tert-Butyl glycinate

tert-Butyl glycinate

C6H13NO2 (131.0946238)


   

3,5-Dimethylbenzonitrile

3,5-Dimethylbenzonitrile

C9H9N (131.0734954)


   

3-Cyanobenzaldehyde

3-Cyanobenzaldehyde

C8H5NO (131.037112)


   

Benzenamine, 5-ethynyl-2-methyl- (9CI)

Benzenamine, 5-ethynyl-2-methyl- (9CI)

C9H9N (131.0734954)


   

2-Cyanobenzaldehyde

2-Cyanobenzaldehyde

C8H5NO (131.037112)


   

Cbz-N-methyl-L-valine

Cbz-N-methyl-L-valine

C6H13NO2 (131.0946238)


   

(S)-3-AMINOADIPICACID6-AMIDEHYDROCHLORIDE

(S)-3-AMINOADIPICACID6-AMIDEHYDROCHLORIDE

C5H9NO3 (131.0582404)


   

Hydrazinecarbothioamide,N-2-propen-1-yl-

Hydrazinecarbothioamide,N-2-propen-1-yl-

C4H9N3S (131.0517154)


   

2-ETHYLBENZONITRILE

2-ETHYLBENZONITRILE

C9H9N (131.0734954)


   

N-ISOPROPYL-OXALAMIC ACID

N-ISOPROPYL-OXALAMIC ACID

C5H9NO3 (131.0582404)


   

DL-Leucine (2-13C, 15N)

DL-Leucine (2-13C, 15N)

C6H13NO2 (131.0946238)


   

(2R)-2-amino-4-methylpentanoic acid

(2R)-2-amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


   
   

2-(3-Morpholinyl)ethanol

2-(3-Morpholinyl)ethanol

C6H13NO2 (131.0946238)


   

2-pyrrolidin-1-ylethanethiol

2-pyrrolidin-1-ylethanethiol

C6H13NS (131.0768658)


   

POLY-L-ISOLEUCINE

POLY-L-ISOLEUCINE

C6H13NO2 (131.0946238)


   

3-Hydroxymethylpiperidin-4-ol

3-Hydroxymethylpiperidin-4-ol

C6H13NO2 (131.0946238)


   

3-(2-Hydroxyethylthio)propionitrile

3-(2-Hydroxyethylthio)propionitrile

C5H9NOS (131.0404824)


   

Pyrido[3,4-d]pyrimidine (7CI,8CI,9CI)

Pyrido[3,4-d]pyrimidine (7CI,8CI,9CI)

C7H5N3 (131.048345)


   

Pyrido[4,3-d]pyrimidine (7CI,8CI,9CI)

Pyrido[4,3-d]pyrimidine (7CI,8CI,9CI)

C7H5N3 (131.048345)


   

3-methoxypropyl isothiocyanate

3-methoxypropyl isothiocyanate

C5H9NOS (131.0404824)


   

2-(1,3-dioxolan-2-yl)-N-methylethanamine

2-(1,3-dioxolan-2-yl)-N-methylethanamine

C6H13NO2 (131.0946238)


   

5-nitropentan-2-one

5-nitropentan-2-one

C5H9NO3 (131.0582404)


   

N-Cyclopropyl-2-mercaptoacetamide

N-Cyclopropyl-2-mercaptoacetamide

C5H9NOS (131.0404824)


   

D-Alanine,N-methyl-,ethylester(9CI)

D-Alanine,N-methyl-,ethylester(9CI)

C6H13NO2 (131.0946238)


   

1-(4-Ethynylphenyl)methanamine

1-(4-Ethynylphenyl)methanamine

C9H9N (131.0734954)


   

((Benzotriazole-1-yl)methylene)

((Benzotriazole-1-yl)methylene)

C7H5N3 (131.048345)


   
   

(R)-MORPHOLINE-2-CARBOXYLIC ACID

(R)-MORPHOLINE-2-CARBOXYLIC ACID

C5H9NO3 (131.0582404)


   

(S)-4-Methyl-2-(hydroxyMethyl)Morpholine

(S)-4-Methyl-2-(hydroxyMethyl)Morpholine

C6H13NO2 (131.0946238)


   

2-(Dimethylamino)butanoic acid

2-(Dimethylamino)butanoic acid

C6H13NO2 (131.0946238)


   

n-isopropyl-n-methylglycine

n-isopropyl-n-methylglycine

C6H13NO2 (131.0946238)


   

3-Amino-4-methylpentanoic acid

(s)-3-Amino-4-methylpentanoic acid

C6H13NO2 (131.0946238)


   

DL-Leucine (2-13C)

DL-Leucine (2-13C)

C6H13NO2 (131.0946238)


   

2,4-DIMETHYLPHENYL ISOCYANIDE

2,4-DIMETHYLPHENYL ISOCYANIDE

C9H9N (131.0734954)


   

4-amino-3,3-dimethylbutanoic acid

4-amino-3,3-dimethylbutanoic acid

C6H13NO2 (131.0946238)


   

Pyridine,2-ethynyl-4,5-dimethyl-(9Cl)

Pyridine,2-ethynyl-4,5-dimethyl-(9Cl)

C9H9N (131.0734954)


   

2,4-DIMETHYLBENZONITRILE

2,4-DIMETHYLBENZONITRILE

C9H9N (131.0734954)


   

2,3-Dimethylbenzonitrile

2,3-Dimethylbenzonitrile

C9H9N (131.0734954)


   

2,5-Dimethylbenzonitrile

2,5-Dimethylbenzonitrile

C9H9N (131.0734954)


   

2-MORPHOLIN-2-YL-ETHANOL

2-MORPHOLIN-2-YL-ETHANOL

C6H13NO2 (131.0946238)


   

(S)-(-)-2-AMINO-3,3-DIMETHYL-1,1-DIPHENYL-1-BUTANOL

(S)-(-)-2-AMINO-3,3-DIMETHYL-1,1-DIPHENYL-1-BUTANOL

C6H11O3- (131.0708156)


   
   

L-VALINE METHYL ESTER

L-VALINE METHYL ESTER

C6H13NO2 (131.0946238)


   
   

1H-1,2,4-Triazole,3-chloro-1-ethyl-(9CI)

1H-1,2,4-Triazole,3-chloro-1-ethyl-(9CI)

C4H6ClN3 (131.0250226)


   

Pyrido[3,4-b]pyrazine

Pyrido[3,4-b]pyrazine

C7H5N3 (131.048345)


   

1-AMINO-2-ETHYLBUTANE-1-THIONE

1-AMINO-2-ETHYLBUTANE-1-THIONE

C6H13NS (131.0768658)


   

5-AMINO CAPROIC ACID

5-AMINO CAPROIC ACID

C6H13NO2 (131.0946238)


   

3-(2-Hydroxyethyl)-2-oxazolidinone

3-(2-Hydroxyethyl)-2-oxazolidinone

C5H9NO3 (131.0582404)


   

2-amino-2-methylpentanoic acid

2-amino-2-methylpentanoic acid

C6H13NO2 (131.0946238)


   

1-(2-Chloroethyl)-1H-1,2,4-triazole

1-(2-Chloroethyl)-1H-1,2,4-triazole

C4H6ClN3 (131.0250226)


   

4-(Aminomethyl)tetrahydro-2H-pyran-4-ol

4-(Aminomethyl)tetrahydro-2H-pyran-4-ol

C6H13NO2 (131.0946238)


   

3,4-Dihydroisoquinoline

3,4-Dihydroisoquinoline

C9H9N (131.0734954)


   

3-(PHENYLMETHYL)-2H-AZIRINE

3-(PHENYLMETHYL)-2H-AZIRINE

C9H9N (131.0734954)


   

(4-Amino-tetrahydro-pyran-4-yl)-methanol

(4-Amino-tetrahydro-pyran-4-yl)-methanol

C6H13NO2 (131.0946238)


   

oxo(propylamino)acetic acid

oxo(propylamino)acetic acid

C5H9NO3 (131.0582404)


   

2-(Formylamino)butanoic acid

2-(Formylamino)butanoic acid

C5H9NO3 (131.0582404)


   

3-METHYL-4-NITRO-BUTYRALDEHYDE

3-METHYL-4-NITRO-BUTYRALDEHYDE

C5H9NO3 (131.0582404)


   
   

methanol; trifluoro-methoxy-boron

methanol; trifluoro-methoxy-boron

C2H7BF3O2 (131.0491168)


   

4-Ethylbenzonitrile

4-Ethylbenzonitrile

C9H9N (131.0734954)


   

methyl N-ethyl-beta-alaninate

methyl N-ethyl-beta-alaninate

C6H13NO2 (131.0946238)


   

2-Formamidobutanoic acid

2-Formamidobutanoic acid

C5H9NO3 (131.0582404)


   

6-(Hydroxymethyl)morpholin-3-one

6-(Hydroxymethyl)morpholin-3-one

C5H9NO3 (131.0582404)


   

5-HYDROXYMETHYL-MORPHOLIN-3-ONE

5-HYDROXYMETHYL-MORPHOLIN-3-ONE

C5H9NO3 (131.0582404)


   

1-nitrohexane

1-nitrohexane

C6H13NO2 (131.0946238)


A primary nitroalkane that is hexane substituted by a nitro group at position 1.

   

N-(3-hydroxybutan-2-yl)acetamide

N-(3-hydroxybutan-2-yl)acetamide

C6H13NO2 (131.0946238)


   

4-Methoxy-4-oxobutanoate

4-Methoxy-4-oxobutanoate

C5H7O4- (131.0344322)


   

2-Propylthiazolidine

2-Propylthiazolidine

C6H13NS (131.0768658)


   

L-Alanine betaine

L-Alanine betaine

C6H13NO2 (131.0946238)


   
   

(2R,3R)-3-hydroxypyrrolidine-2-carboxylic acid

(2R,3R)-3-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


   

1,2,4-Benzotriazine

1,2,4-Benzotriazine

C7H5N3 (131.048345)


   

n-(2-Methylpropyl)glycine

n-(2-Methylpropyl)glycine

C6H13NO2 (131.0946238)


   

N-(2-Hydroxyethyl)butyramide

N-(2-Hydroxyethyl)butyramide

C6H13NO2 (131.0946238)


   

(2R)-4-hydroxypyrrolidine-2-carboxylic acid

(2R)-4-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


   

2H-quinolizine

2H-quinolizine

C9H9N (131.0734954)


   

9aH-quinolizine

9aH-quinolizine

C9H9N (131.0734954)


   
   

3-Oxiran-2ylalanine

3-Oxiran-2ylalanine

C5H9NO3 (131.0582404)


   

L-2-Amino-4-methoxy-cis-but-3-enoic acid

L-2-Amino-4-methoxy-cis-but-3-enoic acid

C5H9NO3 (131.0582404)


   

4-Amino hexanoic acid

4-Amino hexanoic acid

C6H13NO2 (131.0946238)


   

3420-02-8

InChI=1\C9H9N\c1-7-2-3-8-4-5-10-9(8)6-7\h2-6,10H,1H

C9H9N (131.0734954)


   

(2R,3R)-3-hydroxyproline

(2R,3R)-3-hydroxy-2-pyrrolidinecarboxylic acid

C5H9NO3 (131.0582404)


   

Skatol

InChI=1\C9H9N\c1-7-6-10-9-5-3-2-4-8(7)9\h2-6,10H,1H

C9H9N (131.0734954)


Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1]. Skatole is produced by intestinal bacteria, regulates intestinal epithelial cellular functions through activating aryl hydrocarbon receptors and p38[1].

   

AI3-23733

InChI=1\C9H9N\c10-8-4-7-9-5-2-1-3-6-9\h1-3,5-6H,4,7H

C9H9N (131.0734954)


   

(2S,3S)-2-ammonio-3-methylpentanoate

(2S,3S)-2-ammonio-3-methylpentanoate

C6H13NO2 (131.0946238)


   

2-amino-4-methylvaleric acid

2-amino-4-methylvaleric acid

C6H13NO2 (131.0946238)


   

D-leucine zwitterion

D-leucine zwitterion

C6H13NO2 (131.0946238)


A D-alpha-amino acid zwitterion arising from the transfer of a proton from the carboxy to the amino group of D-leucine; major species at pH 7.3.

   

(2S,3R)-2-azaniumyl-3-methylpentanoate

(2S,3R)-2-azaniumyl-3-methylpentanoate

C6H13NO2 (131.0946238)


   

5-Amino-2-oxopentanoate

5-Amino-2-oxopentanoate

C5H9NO3 (131.0582404)


   

trans-L-3-Hydroxyproline

trans-L-3-Hydroxyproline

C5H9NO3 (131.0582404)


   
   

L-Glutamate gamma-semialdehyde

L-Glutamate gamma-semialdehyde

C5H9NO3 (131.0582404)


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Allo-4-hydroxy-D-proline

Allo-4-hydroxy-D-proline

C5H9NO3 (131.0582404)


   

(S)-4-hydroxy-2-oxopentanoate

(S)-4-hydroxy-2-oxopentanoate

C5H7O4- (131.0344322)


An optically active form of 4-hydroxy-2-oxopentanoate having 4S-configuration.

   

(R)-2-Hydroxy-4-methylpentanoate

(R)-2-Hydroxy-4-methylpentanoate

C6H11O3- (131.0708156)


The anion of (R)-2-hydroxy-4-methylpentanoic acid.

   

4-Hydroxy-2-oxopentanoate

4-Hydroxy-2-oxopentanoate

C5H7O4- (131.0344322)


A 2-oxo monocarboxylic acid corresponding to the conjugate base of 4-hydroxy-2-oxopentanoic acid; major species at pH 7.3.

   

3-(carbamoylamino)Propanoate

3-(carbamoylamino)Propanoate

C4H7N2O3- (131.0456652)


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(S)-4-amino-5-oxopentanoate

(S)-4-amino-5-oxopentanoate

C5H9NO3 (131.0582404)


   

{[Amino(iminio)methyl](methyl)amino}acetate

{[Amino(iminio)methyl](methyl)amino}acetate

C4H9N3O2 (131.06947340000002)


   

6-Hydroxyhexanoate

6-Hydroxyhexanoate

C6H11O3- (131.0708156)


A hydroxy fatty acid anion and the conjugate base of 6-hydroxyhexanoic acid, formed by deprotonation of the carboxylic acid group.

   

5-Azaniumyl-4-oxopentanoate

5-Azaniumyl-4-oxopentanoate

C5H9NO3 (131.0582404)


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(2S)-2-Hydroxy-2-methyl-3-oxobutanoate

(2S)-2-Hydroxy-2-methyl-3-oxobutanoate

C5H7O4- (131.0344322)


conjugate base of (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid.

   

2-[Carbamoyl(methyl)amino]acetate

2-[Carbamoyl(methyl)amino]acetate

C4H7N2O3- (131.0456652)


   

(2R)-2-amino-4-oxopentanoate

(2R)-2-amino-4-oxopentanoate

C5H9NO3 (131.0582404)


   

(2S,3R)-3-hydroxypyrrolidinium-2-carboxylate

(2S,3R)-3-hydroxypyrrolidinium-2-carboxylate

C5H9NO3 (131.0582404)


   

3-Hydroxy-3-methyl-2-oxobutanoate

3-Hydroxy-3-methyl-2-oxobutanoate

C5H7O4- (131.0344322)


   

2-Azaniumyl-4-oxopentanoate

2-Azaniumyl-4-oxopentanoate

C5H9NO3 (131.0582404)


   

Indol-6-one

Indol-6-one

C8H5NO (131.037112)


   

Indol-4-one

Indol-4-one

C8H5NO (131.037112)


   

L-2-Amino-4-methoxy-trans-3-butenoic acid

L-2-Amino-4-methoxy-trans-3-butenoic acid

C5H9NO3 (131.0582404)


   

Indol-7-one

Indol-7-one

C8H5NO (131.037112)


   

2-(Hydroxymethyl)-4-oxobutanoate

2-(Hydroxymethyl)-4-oxobutanoate

C5H7O4- (131.0344322)


   

5-Hydroxy-2-oxopentanoate

5-Hydroxy-2-oxopentanoate

C5H7O4- (131.0344322)


   

Indol-5-one

Indol-5-one

C8H5NO (131.037112)


   

2-Hydroxy-3-methyl-valeric acid

2-Hydroxy-3-methyl-valeric acid

C6H11O3- (131.0708156)


   

carbamoyl-D-alanine

carbamoyl-D-alanine

C4H7N2O3- (131.0456652)


   

4-Methoxyvinylglycine

4-Methoxyvinylglycine

C5H9NO3 (131.0582404)


   

5-Hydroxy-4-oxopentanoate

5-Hydroxy-4-oxopentanoate

C5H7O4- (131.0344322)


   

(2Z)-2,4-dihydroxypent-2-enoate

(2Z)-2,4-dihydroxypent-2-enoate

C5H7O4- (131.0344322)


   

Aspartate

Aspartate

C4H5NO4-2 (131.021857)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

cis-3-Hydroxy-D-proline

cis-3-Hydroxy-D-proline

C5H9NO3 (131.0582404)


A D-proline derivative that is D-proline monohydroxylated at position 3 (the cis-3-hydroxy-diastereomer).

   

(2S)-4-hydroxypyrrolidinium-2-carboxylate

(2S)-4-hydroxypyrrolidinium-2-carboxylate

C5H9NO3 (131.0582404)


   
   

2-Acetyllactate

2-Acetyllactate

C5H7O4- (131.0344322)


The conjugate base of 2-acetyllactic acid; major species at pH 7.3.

   

Asparaginate

Asparaginate

C4H7N2O3- (131.0456652)


An alpha-amino-acid anion that is the conjugate base of asparagine, arising from deprotonation of the carboxy group. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D000970 - Antineoplastic Agents

   
   

2-Hydroxy-4-methylpentanoate

2-Hydroxy-4-methylpentanoate

C6H11O3- (131.0708156)


   

4-Hydroxypyrrolidinium-2-carboxylate

4-Hydroxypyrrolidinium-2-carboxylate

C5H9NO3 (131.0582404)


   

2-hydroxy-L-proline

2-hydroxy-L-proline

C5H9NO3 (131.0582404)


   

Glutarate(1-)

Glutarate(1-)

C5H7O4- (131.0344322)


A dicarboxylic acid monoanion that is the conjugate base of glutaric acid.

   
   

Didehydroaspartate

Didehydroaspartate

C4H5NO4 (131.021857)


   

2-Hydroxyhexanoate

2-Hydroxyhexanoate

C6H11O3- (131.0708156)


A hydroxy fatty acid anion which is obtained by deprotonation of the carboxy group of 2-hydroxyhexanoic acid.

   

2-Aminobutanedioate

2-Aminobutanedioate

C4H5NO4-2 (131.021857)


   

4H-quinolizine

4H-quinolizine

C9H9N (131.0734954)


   

Isochromenylium

Isochromenylium

C9H7O+ (131.0496872)


   

2,4-Diaminopentanoate

2,4-Diaminopentanoate

C5H11N2O2- (131.0820486)


   

L-Asparaginate

L-Asparaginate

C4H7N2O3- (131.0456652)


An optically active form of asparaginate having L-configuration.

   

3-Hydroxyhexanoate

3-Hydroxyhexanoate

C6H11O3- (131.0708156)


   

5-Hydroxyhexanoate

5-Hydroxyhexanoate

C6H11O3- (131.0708156)


An (omega-1)-hydroxy fatty acid that is the conjugate base of 5-hydroxyhexanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(2R)-2-Aminobutanedioate

(2R)-2-Aminobutanedioate

C4H5NO4-2 (131.021857)


   

L-ornithinate

L-ornithinate

C5H11N2O2- (131.0820486)


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

   

2-Hydroxy-3-methylpentanoate

2-Hydroxy-3-methylpentanoate

C6H11O3- (131.0708156)


   

(2R,3R)-2-Hydroxy-3-methylpentanoate

(2R,3R)-2-Hydroxy-3-methylpentanoate

C6H11O3- (131.0708156)


   

N-carbamoyl-L-alaninate

N-carbamoyl-L-alaninate

C4H7N2O3- (131.0456652)


   

(2R,4S)-2,4-diaminovalerate

(2R,4S)-2,4-diaminovalerate

C5H11N2O2- (131.0820486)


   

(2R,3S)-2-hydroxy-3-methylpentanoate

(2R,3S)-2-hydroxy-3-methylpentanoate

C6H11O3- (131.0708156)


The conjugate base of (2R,3S)-2-hydroxy-3-methylpentanoic acid.

   

1,1,3,3-Tetramethyldisilazane

1,1,3,3-Tetramethyldisilazane

C4H13NSi2 (131.0586498)


   

Pentamethyldisilane

Pentamethyldisilane

C5H15Si2 (131.071225)


   

N-Acetyl-b-alanine

N-Acetyl-beta-alanine

C5H9NO3 (131.0582404)


Ac-β-Ala-OH (N-Acetyl-β-alanine), an abnormal amino acid metabolite, is a mono-N-protected amino acid (MPAA) ligand[1].

   

2-Methylbenzyl cyanide

2-(o-Tolyl)acetonitrile

C9H9N (131.0734954)


   

Trans-3-hydroxy-L-proline

(2S,3S)-3-Hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 (131.0582404)


The (3S)-trans-diastereomer of 3-hydroxy-L-proline.

   

(2S)-2-amino-5-oxopentanoic acid

(2S)-2-amino-5-oxopentanoic acid

C5H9NO3 (131.0582404)


   

2-Oxosuccinamic acid

2-Oxosuccinamic acid

C4H5NO4 (131.021857)


   

Benzenepropanenitrile

Benzenepropanenitrile

C9H9N (131.0734954)


   

trans-3-hydroxy-L-proline zwitterion

trans-3-hydroxy-L-proline zwitterion

C5H9NO3 (131.0582404)


Zwitterionic form of trans-3-hydroxy-L-proline resulting from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.

   

indol-2-one

indol-2-one

C8H5NO (131.037112)


   

5-ammoniolevulinate

5-ammoniolevulinate

C5H9NO3 (131.0582404)


The zwitterion formed from 5-aminolevulinic acid by transfer of a proton from the carboxy group to the amino group. It is the major species present at physiological pH.

   

trans-4-hydroxy-L-proline zwitterion

trans-4-hydroxy-L-proline zwitterion

C5H9NO3 (131.0582404)


An L-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of trans-4-hydroxy-L-proline; major species at pH 7.3.

   

cis-3-hydroxy-L-proline zwitterion

cis-3-hydroxy-L-proline zwitterion

C5H9NO3 (131.0582404)


The zwitterion formed from cis-3-hydroxy-L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH.

   

Propionyl Glycine

N-Propionylglycine

C5H9NO3 (131.0582404)


Propionylglycine is a peptide[1].

   

N-Acetyl-DL-alanine

N-Acetyl-DL-alanine

C5H9NO3 (131.0582404)


   

1,2,3-Benzotriazine

1,2,3-Benzotriazine

C7H5N3 (131.048345)


   

cis-3-hydroxy-D-proline zwitterion

cis-3-hydroxy-D-proline zwitterion

C5H9NO3 (131.0582404)


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of cis-3-hydroxy-D-proline; major species at pH 7.3

   

4-hydroxy-L-proline zwitterion

4-hydroxy-L-proline zwitterion

C5H9NO3 (131.0582404)


The amino acid zwitterion formed from 4-hydroxy-L-proline. It is the major microspecies present at pH 7.3.

   

trans-3-hydroxy-D-proline

trans-3-hydroxy-D-proline

C5H9NO3 (131.0582404)


The (3R)-trans--diastereomer of 3-hydroxy-D-proline.

   

aspartate(2-)

aspartate(2-)

C4H5NO4 (131.021857)


A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid.

   

4-hydroxy-D-proline

4-hydroxy-D-proline

C5H9NO3 (131.0582404)


The D-stereoisomer of 4-hydroxyproline.

   

(S)-4-amino-5-oxopentanoic acid

(S)-4-amino-5-oxopentanoic acid

C5H9NO3 (131.0582404)


A 5-oxo monocarboxylic acid that is 5-oxopentanoic acid substituted by an amino group at position 4 (the 4S-stereoisomer).

   

L-aspartate(2-)

L-aspartate(2-)

C4H5NO4 (131.021857)


An aspartate(2-) that is the conjugate base of L-aspartate(1-).

   

D-aspartate(2-)

D-aspartate(2-)

C4H5NO4 (131.021857)


An aspartate(2-) that is the conjugate base of D-aspartate(1-).

   

Iminodiacetate

Iminodiacetate

C4H5NO4 (131.021857)


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of iminodiacetic acid.

   

creatine zwitterion

creatine zwitterion

C4H9N3O2 (131.06947340000002)


Zwitterionic form of creatine arising from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3.

   

(2R,4S)-2,4-Diaminopentanoate

(2R,4S)-2,4-Diaminopentanoate

C5H11N2O2 (131.0820486)


A 2,4-diaminopentanoate that is the conjugate base of (2R,4S)-2,4-diaminopentanoic acid.

   

L-glutamic 5-semialdehyde zwitterion

L-glutamic 5-semialdehyde zwitterion

C5H9NO3 (131.0582404)


Zwitterionic form of homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.

   

cis-4-hydroxy-L-proline zwitterion

cis-4-hydroxy-L-proline zwitterion

C5H9NO3 (131.0582404)


An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group cis-4-hydroxy-L-proline; major species at pH 7.3.

   

L-glutamic 5-semialdehyde

L-glutamic 5-semialdehyde

C5H9NO3 (131.0582404)


A glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of L-glutamic acid.

   

cis-4-hydroxy-D-proline zwitterion

cis-4-hydroxy-D-proline zwitterion

C5H9NO3 (131.0582404)


Zwitterionic form of cis-4-hydroxy-D-proline having an anionic carboxy group and a protonated amino group.

   

(S)-4-amino-5-oxopentanoic acid zwitterion

(S)-4-amino-5-oxopentanoic acid zwitterion

C5H9NO3 (131.0582404)


Zwitterionic form of (S)-4-amino-5-oxopentanoic acid.

   

2-amino-4-oxopentanoic acid zwitterion

2-amino-4-oxopentanoic acid zwitterion

C5H9NO3 (131.0582404)


Zwitterionic form of 2-amino-4-oxopentanoic acid having an anionic carboxy group and a protonated amino group.

   

4-hydroxyproline zwitterion

4-hydroxyproline zwitterion

C5H9NO3 (131.0582404)


The amino acid zwitterion formed from 4-hydroxyproline.

   

2-Hydroxy-4-methylvalerate

2-Hydroxy-4-methylvalerate

C6H11O3 (131.0708156)


A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxy-4-methylvaleric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

cis-3-hydroxy-L-proline

cis-3-hydroxy-L-proline

C5H9NO3 (131.0582404)


The (3R)-cis-diastereomer of 3-hydroxy-L-proline.

   

N-carbamoyl-beta-alaninate

N-carbamoyl-beta-alaninate

C4H7N2O3 (131.0456652)


A monocarboxylic acid anion that is the conjugate base of N-carbamoyl-beta-alanine arising from deprotonation of the carboxy group.

   

5-amino-2-oxopentanoic acid zwitterion

5-amino-2-oxopentanoic acid zwitterion

C5H9NO3 (131.0582404)


Zwitterionic form of 5-amino-2-oxopentanoic acid.

   

Methylindole

Methylindole

C9H9N (131.0734954)


   

Amino-oxo-pentanoic acid

Amino-oxo-pentanoic acid

C5H9NO3 (131.0582404)


   

cis-3-Hydroxyproline

cis-3-Hydroxyproline

C5H9NO3 (131.0582404)


   

Oxosuccinamic acid

Oxosuccinamic acid

C4H5NO4 (131.021857)


   
   

benzeneacetonitrile, α-methyl-

benzeneacetonitrile, α-methyl-

C9H9N (131.0734954)