Exact Mass: 118.0531
Exact Mass Matches: 118.0531
Found 263 metabolites which its exact mass value is equals to given mass value 118.0531,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
3-Hydroxyisovaleric acid
3-Hydroxyisovaleric acid is a normal human metabolite excreted in the urine. It is a byproduct of the leucine degradation pathway. Production of 3-hydroxyisovaleric acid begins with the conversion of 3-methylcrotonyl-CoA into 3-methylglutaconyl-CoA in the mitochondria by the biotin-dependent enzyme methylcrotonyl-CoA carboxylase. Biotin deficiencies, certain lifestyle habits (smoking), or specific genetic conditions can reduce methylcrotonyl-CoA carboxylase activity. This reduction can lead to a buildup of 3-methylcrotonyl-CoA, which is converted into 3-hydroxyisovaleryl-CoA by the enzyme enoyl-CoA hydratase. Increased concentrations of 3-methylcrotonyl-CoA and 3-hydroxyisovaleryl-CoA can lead to a disruption of the esterified CoA:free CoA ratio, and ultimately to mitochondrial toxicity. Detoxification of these metabolic end products occur via the transfer of the 3-hydroxyisovaleryl moiety to carnitine forming 3-hydroxyisovaleric acid-carnitine or 3HIA-carnitine, which is then transferred across the inner mitochondrial membrane where 3-hydroxyisovaleric acid is released as the free acid (PMID: 21918059). 3-Hydroxyisovaleric acid has been found to be elevated in smokers and in subjects undergoing long-term anticonvulsant therapy with carbamazepine and/or phenytoin. These levels are elevated due to impairment of renal reclamation of biotin. Levels may also be increased from prolonged consumption of raw egg-whites (PMID: 16895887, 9523856, 15447901, 9176832) (OMIM: 210210, 253270, 600529, 253260, 246450, 210200, 238331). When present in sufficiently high levels, 3-hydroxyisovaleric acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of 3-hydroxyisovaleric acid are associated with at least a dozen inborn errors of metabolism, including 3-hydroxy-3-methylglutaryl-CoA lyase deficiency, 3-methylglutaconic aciduria type I, biotinidase deficiency and isovaleric aciduria, dihydrolipoamide dehydrogenase deficiency, 3-methylcrotonyl-CoA carboxylase 1 deficiency, 3-hydroxy-3-methylglutaryl-CoA lyase deficiency, late-onset multiple carboxylase deficiency, holocarboxylase synthetase deficiency, and 3-methylcrotonyl-CoA carboxylase 2 deficiency. 3-Hydroxyisovaleric acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of the untreated IEMs mentioned above. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. 3-Hydroxyisovaleric acid is a normal human metabolite excreted in the urine. Elevated levels of this compound are found in several inherited disorders such as Dihydrolipoamide dehydrogenase Deficiency, 3-Methylcrotonyl-CoA carboxylase 1 deficiency, 3-Hydroxy-3-methylglutaryl-CoA lyase deficiency (3-hydroxy-3-methylglutaryl -CoA lyase Deficiency, Biotinidase deficiency multiple carboxylase deficiency late-onset , Late onset multiple carboxylase deficiency, HolMcarboxylase synthetase deficiency, 3-Methylcrotonyl-CoA carboxylase 2 deficiency. 3-Hydroxyisovaleric acid is also elevated in smokers, in subjects undergoing long-term anticonvulsant therapy with carbamazepine and/or phenytoin. These levels are elevated due to impairment of renal reclamation of biotin. Levels may also be increased from prolonged consumption of raw egg-whites (PMID: 16895887, 9523856, 15447901, 9176832)(OMIM: 210210, 253270, 600529, 253260, 246450, 210200, 238331) [HMDB] 3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2]. 3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2].
Benzimidazole
CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3587; ORIGINAL_PRECURSOR_SCAN_NO 3586 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2303; ORIGINAL_PRECURSOR_SCAN_NO 2299 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2278; ORIGINAL_PRECURSOR_SCAN_NO 2277 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3578; ORIGINAL_PRECURSOR_SCAN_NO 3577 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3557; ORIGINAL_PRECURSOR_SCAN_NO 3556 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2260; ORIGINAL_PRECURSOR_SCAN_NO 2259 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2273; ORIGINAL_PRECURSOR_SCAN_NO 2271 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2284; ORIGINAL_PRECURSOR_SCAN_NO 2282 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3585; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3606; ORIGINAL_PRECURSOR_SCAN_NO 3604 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3575; ORIGINAL_PRECURSOR_SCAN_NO 3574 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2284; ORIGINAL_PRECURSOR_SCAN_NO 2282 D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics CONFIDENCE standard compound; INTERNAL_ID 8120 KEIO_ID B007
5-Hydroxypentanoic acid
5-Hydroxypentanoic acid belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. 5-Hydroxypentanoic acid has been found to be a microbial metabolite (PMID: 20615997).
3-Hydroxyvaleric acid
3-Hydroxyvaleric acid is a 5-carbon ketone body. 3-Hydroxyvaleric acid is anaplerotic, meaning it can refill the pool of TCA cycle intermediates.
2-Hydroxyvaleric acid
2-Hydroxyvaleric acid is an organic acid present in human biofluids. Its presence in urine has been associated with lactic acidosis, which occurs in Succinic Acidemia (OMIM 600335), a syndrome of organic acidemia associated with congenital lactic acidosis and decreased NADH-cytochrome c reductase activity. 2-Hydroxyvaleric acid presence associated with lactic acidosis has also been found in Propionyl-CoA carboxylase deficiency (OMIM 253260), or Multiple carboxylase deficiency (MCD), an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. (PMID: 9389332, 1790187, 3378323, 3383430, 7313494) [HMDB] 2-Hydroxyvaleric acid is an organic acid present in human biofluids. Its presence in urine has been associated with lactic acidosis, which occurs in Succinic Acidemia (OMIM 600335), a syndrome of organic acidemia associated with congenital lactic acidosis and decreased NADH-cytochrome c reductase activity. 2-Hydroxyvaleric acid presence associated with lactic acidosis has also been found in Propionyl-CoA carboxylase deficiency (OMIM 253260), or Multiple carboxylase deficiency (MCD), an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. (PMID: 9389332, 1790187, 3378323, 3383430, 7313494).
2-Hydroxy-3-methylbutyric acid
2-Hydroxy-3-methylbutyric acid (also known as 2-hydroxyisovaleric acid) is a metabolite found in the urine of patients with phenylketonuria (PMID: 7978272), methylmalonic acidemia, propionic acidemia, 3-ketothiolase deficiency, isovaleric acidemia, 3-methylcrotonylglycemia, 3-hydroxy-3-methylglutaric acidemia, multiple carboxylase deficiency, glutaric aciduria, ornithine transcarbamylase deficiency, glyceroluria, tyrosinemia type I, galactosemia, and maple syrup urine disease (PMID: 11048741). 2-Hydroxyisovaleric acid has also been identified in the urine of patients with lactic acidosis and ketoacidosis (PMID: 884872), and in the urine of severely asphyxiated babies (PMID: 1610944). 2-Hydroxyisovaleric acid originates mainly from ketogenesis and from the metabolism of valine, leucine, and isoleucine (PMID: 6434570). 2-Hydroxy-3-methylbutyric acid has been identified in the human placenta (PMID: 32033212). 2-Hydroxy-3-methylbutyric acid is a metabolite found in the urine of patients with Phenylketonuria (PMID 7978272), Methylmalonic acidemia, Propionic acidemia, 3-Ketothiolase deficiency, Isovaleric acidemia, 3-Methylcrotonylglycemia, 3-Hydroxy-3-methylglutaric acidemia, Multiple carboxylase deficiency, Glutaric aciduria, Ornithine transcarbamylase deficiency, glyceroluria, Tyrosinemia type 1, Galactosemia, and Maple syrup urine disease (PMID 11048741) [HMDB] 2-Hydroxy-3-methylbutanoic acid is a close structure analogue of GHB, which is a naturally occurring neurotransmitter and a psychoactive agent.
2-Hydroxy-2-methylbutyric acid
2-Hydroxy-2-methylbutyric acid, also known as (+/-)-2-hydroxy-2-methylbutanoate or 2-methyl-2-hydroxybutyric acid, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. 2-Hydroxy-2-methylbutyric acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 2-Hydroxy-2-methylbutyric acid is an unusual metabolite found in the urine of patients with 2-hydroxyglutaric aciduria and maple syrup urine disease. 2-Hydroxy-2-methylbutyric acid is also a secondary metabolite found in human urine after exposure to the gasoline additive tert-amyl-Me-ether (TAME). (PMID 11504147, 10828258, 9260660, 11482739) [HMDB] (±)-2-Hydroxy-2-methylbutyric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3739-30-8 (retrieved 2024-07-02) (CAS RN: 3739-30-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2-Hydroxy-2-methylbutanoic acid, an unusual metabolite, is associated with 2-hydroxyglutaric aciduria and maple syrup urine disease.
(2S,3R)-3-Hydroxy-2-methylbutanoic acid
3-Hydroxy-2-methyl-butanoic acid (HMBA)is a normal urinary metabolite involved in the isoleucine catabolism, as well as presumably b-oxidation of fatty acids and ketogenesis, excreted in abnormally high amounts in beta-ketothiolase deficiency. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID 10755375) [HMDB] 3-Hydroxy-2-methylbutanoic acid (HMBA) is a normal urinary metabolite involved in isoleucine catabolism, beta-oxidation of fatty acids, and ketogenesis. HMDB is excreted in abnormally high amounts in beta-ketothiolase deficiency. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID: 10755375).
3-Hydroxyvaleric acid
3-Hydroxyvaleric acid may be products of the condensation of propionyl-CoA with acetyl-CoA catalyzed by 3-oxoacyl-CoA thiolases. An increase amount of 3-hydroxyvaleric acid can be found in methylmalonic acidemia and propionic acidemia. (PMID: 630060) [HMDB] 3-Hydroxyvaleric acid may be products of the condensation of propionyl-CoA with acetyl-CoA catalyzed by 3-oxoacyl-CoA thiolases. An increase amount of 3-hydroxyvaleric acid can be found in methylmalonic acidemia and propionic acidemia. (PMID: 630060). 3-Hydroxyvaleric acid is a 5-carbon ketone body. 3-Hydroxyvaleric acid is anaplerotic, meaning it can refill the pool of TCA cycle intermediates.
Ethyl lactate
Ethyl lactate, also known as ethyl 2-hydroxypropanoate, is the ethyl ester obtained of 2-hydroxypropanoic acid. It is a secondary alcohol, a lactate ester and an ethyl ester. It derives from a 2-hydroxypropanoic acid. It is an organic compound with the formula CH3CH(OH)CO2CH2CH3. Ethyl lactate is found naturally in small quantities in a wide variety of foods including wine, chicken, and various fruits. The odor of ethyl lactate when dilute is mild, buttery, creamy, with hints of fruit and coconut. It is also found in cabbage, peas, vinegar, bread, roasted chicken, butter, blackberry, pineapple, raspberry and various wines and spirits. This compound is considered biodegradable and can be used as a water-rinsable degreaser. he odor of ethyl lactate when dilute is mild, buttery, creamy, with hints of fruit and coconut. Ethyl lactate is produced from biological sources, and can be either the levo (S) form or dextro (R) form, depending on the organism that is the source of the lactic acid. Most biologically sourced ethyl lactate is ethyl (−)-L-lactate (ethyl (S)-lactate). Ethyl lactate is also produced industrially from petrochemical stocks, and this ethyl lactate consists of the racemic mixture of levo and dextro forms. Because both enantiomers are found in nature, and because ethyl lactate is easily biodegradable, it is considered to be a "green solvent". Ethyl lactate and its aqueous solutions are used as sustainable media for organic synthesis. Due to its relatively low toxicity, ethyl lactate is used commonly in pharmaceutical preparations, food additives, and fragrances. Ethyl lactate is also used as solvent for nitrocellulose, cellulose acetate, and cellulose ethers. Present in cabbage, peas, vinegar, bread, roasted chicken, butter, blackberry, pineapple, raspberry and various wines and spirits. Flavouring agent
7-Azaindolizine
7-Azaindolizine is found in animal foods. 7-Azaindolizine is a component of roast beef aroma. Component of roast beef aroma. 7-Azaindolizine is found in animal foods.
Methyl 3-hydroxybutyrate
Methyl 3-hydroxybutyrate belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Thus, methyl 3-hydroxybutyrate is considered to be a fatty ester lipid molecule. Methyl 3-hydroxybutyrate is soluble (in water) and an extremely weak acidic compound (based on its pKa). Methyl 3-hydroxybutyrate has a mild and apple taste. Methyl 3-hydroxybutyrate is a constituent of pineapple; Methyl 3-hydroxybutyrate is a flavouring ingredient [CCD].
xi-2-Methyl-1,3-oxathiane
xi-2-Methyl-1,3-oxathiane is found in onion-family vegetables. xi-2-Methyl-1,3-oxathiane is a constituent of the buds of Chinese chives (Allium tuberosum). Constituent of the buds of Chinese chives (Allium tuberosum). xi-2-Methyl-1,3-oxathiane is found in onion-family vegetables.
(S)-Methylbutanethioic acid
(S)-Methylbutanethioic acid belongs to the class of organic compounds known as carbothioic S-acids. These are organic acids with the general formula RCS-OH (R=H, organic group).
1-(Methylthio)-2-butanone
1-(Methylthio)-2-butanone is found in coffee and coffee products. 1-(Methylthio)-2-butanone is a constituent of coffee concentrate. 1-(Methylthio)-2-butanone is a flavouring agent. Constituent of coffee concentrate. Flavouring agent. 1-(Methylthio)-2-butanone is found in coffee and coffee products.
2-Methyl-3-hydroxybutyric acid
3-Hydroxy-2-methyl-butanoic acid (HMBA) is a normal urinary metabolite involved in the isoleucine catabolism, as well as presumably beta-oxidation of fatty acids and ketogenesis, excreted in abnormally high amounts in beta-ketothiolase deficiency, which is a genetic disorder. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID 10755375). 3-Hydroxy-2-methyl-butanoic acid (HMBA)is a normal urinary metabolite involved in the isoleucine catabolism, as well as presumably beta-oxidation of fatty acids and ketogenesis, excreted in abnormally high amounts in beta-ketothiolase deficiency. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID 10755375) [HMDB]
3-hydroxy-2-ethylpropionate
Isolated excretion of 2-ethylhydracrylic acid (2-methylbutyrylglycine; 2-MBG) is the hallmark of short/branched-chain acyl-CoA dehydrogenase deficiency (SBCADD), a defect in the proximal pathway of L-isoleucine oxidation (PMID: 15615815). Normal human urine contains small amounts (less than 4 mg/g of creatinine) of 2-ethylhydracrylic acid. Urinary excretion of 2-ethylhydracrylic acid is variably increased in defects of isoleucine oxidation at distal steps in the catabolic pathway (3-oxoacyl-CoA thiolase deficiency and methylmalonyl-CoA mutase deficiency) and is diminished when proximal steps of the oxidative pathway are blocked as in branched-chain oxo acid decarboxylase deficiency (maple syrup urine disease) (PMID: 1016232). 2-Ethylhydracrylic acid has been identified in the human placenta (PMID: 32033212). Isolated excretion of 2-Ethylhydracrylic acid (2-methylbutyrylglycine; 2-MBG) is the hallmark of short/branched-chain acyl-CoA dehydrogenase deficiency (SBCADD), a defect in the proximal pathway of L-isoleucine oxidation (PMID 15615815)
3-Hydroxy-2-methyl-[S-(R,R)]-butanoic acid
3-Hydroxy-2-methyl-butanoic acid (HMBA)is a normal urinary metabolite involved in the isoleucine catabolism, as well as presumably b-oxidation of fatty acids and ketogenesis, excreted in abnormally high amounts in beta-ketothiolase deficiency. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID 10755375) [HMDB] 3-Hydroxy-2-methyl-butanoic acid (HMBA) is a normal urinary metabolite involved in the isoleucine catabolism, as well as presumably b-oxidation of fatty acids and ketogenesis, excreted in abnormally high amounts in beta-ketothiolase deficiency. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID 10755375).
Erythronilic acid
Erythronilic acid, also known as (2R,3S)-3-hydroxy-2-methylbutanoic acid (HMBA), is a normal urinary metabolite involved in isoleucine catabolism, beta-oxidation of fatty acids, and ketogenesis. HMDB is excreted in abnormally high amounts in beta-ketothiolase deficiency. Differences in the enantiomeric ratio of HMBA may originate from the enantioselectivity of different enzyme systems (PMID: 10755375). 3-Hydroxy-2-methyl-butanoic acid (HMBA)is a normal urinary metabolite
4-Hydroxyisovaleric acid
4-hydroxyisovaleric acid is a metabolite of isovaleric acid that has been reported to be found in the urine of patients with isovaleric acidemia. It seems to be an intermediate product in the formation of methylsuccinic acid from isovaleric acid by omega-. oxidation. 4-hydroxyisovaleric acid is a metabolite of isovaleric acid that has been reported to be found in the urine of patients with isovaleric acidemia. It seems to be an intermediate product in the formation of methylsuccinic acid from isovaleric acid by omega-
S-Methyl butanethioate
S-Methyl butanethioate is a flavouring agent Flavouring agent
4-(Methylthio)-2-butanone
4-(Methylthio)-2-butanone is a flavouring ingredien Flavouring ingredient
4-Mercapto-2-pentanone
4-Mercapto-2-pentanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
S-Propyl thioacetate
S-Propyl thioacetate is a flavouring ingredient. Flavouring ingredient
3-Mercapto-2-pentanone
3-Mercapto-2-pentanone is found in animal foods. 3-Mercapto-2-pentanone is a maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. 3-Mercapto-2-pentanone is a flavouring agent Maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. Flavouring agent. 3-Mercapto-2-pentanone is found in animal foods.
2-Mercapto-3-pentanone
2-Mercapto-3-pentanone is found in animal foods. Aroma/flavour component of cooked meats. 2-Mercapto-3-pentanone is a maillard product from reaction of cysteine and ribos Aroma/flavour component of cooked meats. Maillard product from reaction of cysteine and ribose. 2-Mercapto-3-pentanone is found in animal foods.
Tetrahydro-2-methylthiophen-3-ol
Tetrahydro-2-methylthiophen-3-ol is found in alcoholic beverages. Tetrahydro-2-methylthiophen-3-ol is found in wine. Tetrahydro-2-methylthiophen-3-ol is a compound responsible for "off" taste in some wines. Found in wine. Compd. responsible for "off" taste in some wines
Tetrahydro-2-methyl-3-furanthiol
Tetrahydro-2-methyl-3-furanthiol is a flavour enhancer for meat-like food Flavour enhancer for meat-like foods
4-(Methylthio)butanal
4-(Methylthio)butanal is a flavouring ingredient. Flavouring ingredient
5H-Cyclopentapyrazine
5H-Cyclopentapyrazine is found in pulses. 5H-Cyclopentapyrazine is a constituent of shoyu (soy sauce). Constituent of shoyu (soy sauce). 5H-Cyclopentapyrazine is found in pulses.
3-(Methylthio)butanal
3-(Methylthio)butanal is a flavouring ingredient. Flavouring ingredient
3-(Methylthio)-2-butanone
3-(Methylthio)-2-butanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive
Diethyl carbonate
Diethyl carbonate belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups
2-Ethylhydracrylic acid
A branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism.
7-Azaindole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1,1,3-Trimethyl-2-thiourea
CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3597; ORIGINAL_PRECURSOR_SCAN_NO 3595 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3617; ORIGINAL_PRECURSOR_SCAN_NO 3615 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3613; ORIGINAL_PRECURSOR_SCAN_NO 3609 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3630; ORIGINAL_PRECURSOR_SCAN_NO 3627 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3624; ORIGINAL_PRECURSOR_SCAN_NO 3619 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3629; ORIGINAL_PRECURSOR_SCAN_NO 3626
2-Hydroxypentanoic acid
A 2-hydroxy monocarboxylic acid that is valeric (pentanoic) acid substituted at the alpha-position by a hydroxy group. Acquisition and generation of the data is financially supported in part by CREST/JST.
2-Hydroxy-3-methylbutyric acid
A valine derivative that is valine in which the amino group has been replaced by a hydroxy group. 2-Hydroxy-3-methylbutanoic acid is a close structure analogue of GHB, which is a naturally occurring neurotransmitter and a psychoactive agent.
3-Hydroxyisovaleric acid
A 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. 3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2]. 3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2].
2-Hydroxy-2-methylbutyric acid
A branched-chain fatty acid that is 2-methylbutyric acid substituted at C-2 by a hydroxy group. 2-Hydroxy-2-methylbutanoic acid, an unusual metabolite, is associated with 2-hydroxyglutaric aciduria and maple syrup urine disease.
b-Hydroxyisovalerate
3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2]. 3-Hydroxyisovaleric acid is a normal endogenous metabolite excreted in the urine. The urinary excretion of 3-hydroxyisovaleric acid is early and sensitive indicator of biotin deficiency[1][2].
Carbamimidothioic acid,N,N-dimethyl-, methyl ester
L-threoninate
An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group.
(2S,3S)-3-hydroxy-2-methylbutanoic acid
A 2-methyl-3-hydroxybutyric acid that has (2S,3S)-configuration.
(4R)-4-hydroxypentanoic acid
An (omega-1)-hydroxy fatty acid that is valeric acid in which the 4-pro-R hydrogen is replaced by a hydroxy group.
4-Amino-3-hydroxybutanoate
The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.
Homoserinate
An alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine.
BENZIMIDAZOLE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
5-Hydroxyvaleric Acid
An omega-hydroxy fatty acid consisting of pentanoic acid carrying a hydroxy group at C-5.
(R)-2-hydroxy-3-methylbutyric acid
The R-enantiomer of 2-hydroxy-3-methylbutyric acid.
(R)-3-hydroxypentanoic acid
A 3-hydroxypentanoic acid in which the chiral centre at position 3 has R-configuration.
(S)-3-hydroxypentanoic acid
A 3-hydroxypentanoic acid in which the chiral centre at position 3 has S-configuration.
(S)-2-hydroxy-3-methylbutyric acid
The S-enantiomer of 2-hydroxy-3-methylbutyric acid. It is used as a chiral building block for peptide synthesis.
ethyl 2-hydroxypropanoate
The ethyl ester obtained of 2-hydroxypropanoic acid.
3-Hydroxy-2-methylbutanoic acid
A 3-hydroxy monocarboxylic acid that is butyric acid which is substituted by a methyl group and a hydroxy group at positions 2 and 3, respectively.
3-Hydroxypentanoic acid
A short-chain fatty acid that is valeric acid in which one of the methylene hydrogens at position 3 has been replaced by a hydroxy group.
