Exact Mass: 119.9941656
Exact Mass Matches: 119.9941656
Found 271 metabolites which its exact mass value is equals to given mass value 119.9941656,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Purine
Purine, also known as purine base or 1H-purine, belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring. Two of the bases in nucleic acids, adenine and guanine, are purines. Purines from food (or from tissue turnover) are metabolised by several enzymes, including xanthine oxidase, into uric acid. Purine exists in all living species, ranging from bacteria to humans. High levels of uric acid can predispose to gout when the acid crystalises in joints; this phenomenon only happens in humans and some animal species (e.g. dogs) that lack an intrinsic uricase enzyme that can further degrade uric acid. In humans, purine is involved in thioguanine action pathway. Outside of the human body, purine is found, on average, in the highest concentration within cocoa beans. Purine has also been detected, but not quantified in several different foods, such as rapinis, plains prickly pears, blackcurrants, radish, and parsley. This could make purine a potential biomarker for the consumption of these foods. Purine is a heterocyclic aromatic organic compound, consisting of a pyrimidine ring fused to an imidazole ring. A purine is a heterocyclic aromatic organic compound, consisting of a pyrimidine ring fused to an imidazole ring. Purines, including substituted purines and their tautomers, are the most widely distributed kind of nitrogen-containing heterocycle in nature. Purine is found in many foods, some of which are triticale, chickpea, japanese persimmon, and wild carrot. KEIO_ID P049 Purine is an endogenous metabolite. Purine is an endogenous metabolite.
Tartronate (hydroxymalonate)
Hydroxypropanedioic acid is found in potato. Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. (Wikipedia). Hydroxypropanedioic acid has been identified in the human placenta (PMID: 32033212). Tartronic acid or 2-hydroxymalonic acid is a dicarboxylic acid with the structural formula of HOOCCH(OH)COOH. Hydroxypropanedioic acid is found in potato. KEIO_ID T050
Erythrose
Erythrose is a tetrose saccharide with the chemical formula C4H8O4. It has one aldehyde group, and is thus part of the aldose family. The natural isomer is D-erythrose. It is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Erythrose is very soluble (in water). Erythrose can be found in blood, as well as in human cartilage tissue. Within the cell, erythrose is primarily located in the cytoplasm (predicted from logP). Erythrose exists in all living organisms, ranging from bacteria to humans. Erythrose is found to be associated with schizophrenia. Erythrose was first isolated in 1849 from rhubarb by the French pharmacist Louis Feux Joseph Garot (1798-1869) and was named as such because of its red hue in the presence of alkali metals. D-erythrose is a tetrose carbohydrate with chemical formula C4H8O4. It has one aldehyde group and so is part of the aldose family. It is a syrupy liquid at room temperature. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST.
3-Mercaptopyruvic acid
3-Mercaptopyruvic acid, also known as 3-mercapto-2-oxopropanoate or beta-thiopyruvate, belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. 3-Mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. Within humans, 3-mercaptopyruvic acid participates in a number of enzymatic reactions. In particular, 3-mercaptopyruvic acid and cyanide can be converted into pyruvic acid and thiocyanate; which is mediated by the enzyme 3-mercaptopyruvate sulfurtransferase. In addition, 3-mercaptopyruvic acid can be biosynthesized from 3-mercaptolactic acid; which is mediated by the enzyme L-lactate dehydrogenase. It has been studied as a potential treatment for cyanide poisoning, but its half-life is too short for it to be clinically effective. In humans, 3-mercaptopyruvic acid is involved in cystinosis, ocular nonnephropathic. Outside of the human body, 3-mercaptopyruvic acid has been detected, but not quantified in several different foods, such as lima beans, spinachs, shallots, mexican groundcherries, and white lupines. This could make 3-mercaptopyruvic acid a potential biomarker for the consumption of these foods. 3-mercaptopyruvic acid, also known as beta-mercaptopyruvate or beta-thiopyruvic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. 3-mercaptopyruvic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 3-mercaptopyruvic acid can be found in a number of food items such as garland chrysanthemum, rubus (blackberry, raspberry), tarragon, and arrowhead, which makes 3-mercaptopyruvic acid a potential biomarker for the consumption of these food products. 3-mercaptopyruvic acid exists in all living organisms, ranging from bacteria to humans. In humans, 3-mercaptopyruvic acid is involved in a couple of metabolic pathways, which include cysteine metabolism and cystinosis, ocular nonnephropathic. 3-mercaptopyruvic acid is also involved in beta-mercaptolactate-cysteine disulfiduria, which is a metabolic disorder. 3-Mercaptopyruvic acid is an intermediate in cysteine metabolism. It has been studied as a potential treatment for cyanide poisoning, but its half-life is too short for it to be clinically effective. Instead, prodrugs, such as sulfanegen, are being evaluated to compensate for the short half-life of 3-mercaptopyruvic acid .
1,4-Dithiane
1,4-Dithiane, also known as p-dithiane or fema 3831, belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. A dithiane that is cyclohexane in which the -CH2- units at positions 1 and 2 have been replaced by sulfur atoms. 1,4-Dithiane is possibly neutral. 1,4-Dithiane is a fishy, garlic, and onion tasting compound. 1,4-Dithiane has been detected, but not quantified, in garden tomato. This could make 1,4-dithiane a potential biomarker for the consumption of these foods. Food additive listed in the EAFUS food additive database (Jan. 2001). Flavouring used in seasonings. 1,4-Dithiane is found in garden tomato.
L-Erythrulose
L-Erythrulose is an extremely reactive ketose, which rapidly glycates and crosslinks proteins, and therefore may mediate the(L-ascorbate) AsA-dependent modification of protein (ascorbylation) seen in vitro, and also proposed to occur in vivo in human lens during diabetic and age-onset cataract formation.(PMID: 10727845) [HMDB] L-Erythrulose is an extremely reactive ketose, which rapidly glycates and crosslinks proteins, and therefore may mediate the(L-ascorbate) AsA-dependent modification of protein (ascorbylation) seen in vitro, and also proposed to occur in vivo in human lens during diabetic and age-onset cataract formation.(PMID: 10727845).
3-Methylthiopropionic acid
3-methylthiopropionate is one of the metabolites of methionine (especially of D-methionine) and pharmacokinetics of 3-MTP in urine seems to contribute to the clinicopathological investigation of the liver cirrhosis. (PMID 3997054) [HMDB] 3-methylthiopropionate is one of the metabolites of methionine (especially of D-methionine) and pharmacokinetics of 3-MTP in urine seems to contribute to the clinicopathological investigation of the liver cirrhosis. (PMID 3997054). 3-(Methylthio)propionic acid is an intermediate in the methionine metabolism.
Methyl 2-propenyl disulfide
Constituent of the essential oils of Allium subspecies Flavouring ingredient. Methyl 2-propenyl disulfide is found in many foods, some of which are garden onion, allium (onion), chives, and soft-necked garlic. Methyl 2-propenyl disulfide is found in allium (onion). Methyl 2-propenyl disulfide is a constituent of the essential oils of Allium species Methyl 2-propenyl disulfide is a flavouring ingredient.
D-Threose
Acquisition and generation of the data is financially supported in part by CREST/JST.
1,3-Dithiane
Constituent of garlic and other Allium subspecies 1,3-Dithiane is found in soft-necked garlic and onion-family vegetables. 1,3-Dithiane is found in onion-family vegetables. 1,3-Dithiane is a constituent of garlic and other Allium species 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
3,4-dihydroxybutyrate
3,4-Dihydroxybutyric acid (also known as 3,4-Dihydroxybutanoic acid or 3,4-DB, or 2-deoxytetronic acid, or 2-DTA) is a normal human urinary metabolite that is excreted in increased concentration in patients with succinic semialdehyde dehydrogenase (SSADH) deficiency (PMID 12127325), which is a genetic disorder. SSADH deficiency is caused by an enzyme deficiency in GABA degradation. The most constant features with this disease are developmental delay, hypotonia and intellectual disability. Nearly half of SSADH patients exhibit ataxia, behavioral problems, seizures, and hyporeflexia. Normal adults excrete 0.37 +/- 0.15 (SD) mmoles of 3,4-dihydroxybutyrate per 24 hr. 3,4-dihydroxybutyrate is also detectable in blood. The renal clearance of 3,4-dihydroxybutyrate is roughly equal that of creatinine. 3,4-dihydroxybutyric acid has also been found in foods and is believed to be formed via the degradation (cooking) of di- and poly-saccharides (PMID: 1167165). 3,4-Dihydroxybutyric acid is believed to play a role in satiety or the feeling of fullness and suppresses food intake (PMID: 3191387; PMID: 6720928). 3,4-dihydroxybutyric acid is also elevated in the serum of individuals with dementia and may even serve as a predictive biomarker for dementia (PMID: 25177334). 3,4-Dihydroxybutyric acid is also a metabolite produced in Escherichia (PMID: 28342964). 3,4-Dihydroxybutyric acid is a normal human urinary metabolite that is excreted in increased concentration in patients with succinic semialdehyde dehydrogenase (SSADH) deficiency. (PMID 12127325) Normal adults excrete 0.37 +/- 0.15 (SD) mmoles of 3,4-dihydroxybutyrate per 24 hr. The compound is also detectable in blood. The renal clearance of this compound is roughly equal that of creatinine. [HMDB]
(E)-Methyl 1-propenyl disulfide
(Z)-Methyl 1-propenyl disulfide is found in onion-family vegetables. (Z)-Methyl 1-propenyl disulfide is a constituent of the essential oils of Allium species. Constituent of the essential oils of Allium subspecies (Z)-Methyl 1-propenyl disulfide is found in onion-family vegetables.
2,4-Dihydroxybutanoic acid
2,4-Dihydroxybutanoic acid or 3-Deoxytetronic acid is usually absent in normal human urine extracts or in only trace constituents in neonates. (PMID 1192581) However, various cases of succinic semialdehyde dehydrogenase deficiency have shown consistently increased amounts of this metabolite. (PMID 3126356) [HMDB] 2,4-Dihydroxybutanoic acid or 3-Deoxytetronic acid is usually absent in normal human urine extracts or in only trace constituents in neonates. (PMID 1192581) However, various cases of succinic semialdehyde dehydrogenase deficiency have shown consistently increased amounts of this metabolite. (PMID 3126356).
4-Deoxyerythronic acid
4-Deoxyerythronic acid is a normal organic acid present in human biofluids (PMIDs 2338430, 3829393, 3525594, 14708889, 1560100, 6725493), derived presumably from L-threonine. (PMID 2947647) It has been associated with uremia (PMID 1149237) and diabetes mellitus type 1. (PMID 2947647) [HMDB] 4-Deoxyerythronic acid is a normal organic acid present in human biofluids (PMIDs 2338430, 3829393, 3525594, 14708889, 1560100, 6725493), derived presumably from L-threonine. (PMID 2947647) It has been associated with uremia (PMID 1149237) and diabetes mellitus type 1. (PMID 2947647).
4-Deoxythreonic acid
4-Deoxythreonic acid is a normally occurring carboxylic acid in human. (PMID: 3829393, 6725493). Metabolic profiling of urinary organic acids from patients with juvenile-onset (Type 1) diabetes mellitus have revealed significantly elevated levels of 4-deoxythreonic acid. (PMID: 2947647). The normal urinary constituent 4-deoxythreonic acid was found to diminish in urine incubated with E. coli. (PMID: 3910670). 4-Deoxythreonic acid is a normally occurring carboxylic acid in human. (PMID: 3829393, 6725493)
A,b-Dihydroxyisobutyric acid
2-methylglyceric acid or a,b-Dihydroxyisobutyric acid has been found not to be a normal metabolite but is a degradation product of thymine glycol in vivo. (PMID:3707888) [HMDB] 2-methylglyceric acid or a,b-Dihydroxyisobutyric acid has been found not to be a normal metabolite but is a degradation product of thymine glycol in vivo. (PMID:3707888).
Ethyl vinyl disulfide
Ethyl vinyl disulfide is found in fruits. Ethyl vinyl disulfide is a constituent of the fruit of Durio zibethinus (durian). Constituent of the fruit of Durio zibethinus (durian). Ethyl vinyl disulfide is found in fruits.
Methyl 2-(methylthio)acetate
Methyl 2-(methylthio)acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive
2-Methyl-1,3-dithiolane
2-Methyl-1,3-dithiolane is found in animal foods. 2-Methyl-1,3-dithiolane is a maillard product from cysteine and glucose degradation. 2-Methyl-1,3-dithiolane is a flavouring ingredient; present in boiled beef volatile Maillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles. 2-Methyl-1,3-dithiolane is found in animal foods.
xi-Tetrahydro-2-thiophenethiol
xi-Tetrahydro-2-thiophenethiol is a component of meat aroma model systems. Component of meat aroma model systems
Allyl methyl sulfone
Allyl methyl sulfone (AMSO2) is an odourless garlic-derived metabolite found in human breast milk and urine. It is likely the oxidation product of allyl methyl sulfide (AMS) otherwise known as 3-(methylthio)-1-propene.
Noxytiolin
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
Methyl-trans-propenyl disulfide
Methyl-trans-propenyl disulfide is a member of the class of compounds known as organic disulfides. Organic disulfides are organosulfur compounds with the general formula RSSR (R,R = alkyl, aryl). Methyl-trans-propenyl disulfide can be found in garden onion and soft-necked garlic, which makes methyl-trans-propenyl disulfide a potential biomarker for the consumption of these food products.
Magnesium phosphate (Mg(HPO4))
It is used in foods as a nutritional source of Mg and P, pH control agent, dietary supplement, flow aid and leavening agent
Sodium phosphate (Na(H2PO4))
It is used in foods as a dry acidulant, buffering agent, emulsifier, leavening agent, protein modifier, sequestrant and nutrient supplement C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
Methyl-trans-propenyl disulfide
Methyl-trans-propenyl disulfide is a member of the class of compounds known as organic disulfides. Organic disulfides are organosulfur compounds with the general formula RSSR (R,R = alkyl, aryl). Methyl-trans-propenyl disulfide can be found in garden onion and soft-necked garlic, which makes methyl-trans-propenyl disulfide a potential biomarker for the consumption of these food products.
1,4-Dioxane-2,5-diol
1,4-Dioxane-2,5-diol is an endogenous metabolite.
SULFOLANE
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D020011 - Protective Agents > D011837 - Radiation-Protective Agents
Purine
Purine is an endogenous metabolite. Purine is an endogenous metabolite.
3-mercaptopyruvic acid
A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3.
2,4-Dihydroxybutanoic acid
A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 2 and 4 respectively.
3,4-Dihydroxybutyric acid
A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively.
Glycolaldehyde dimer
1,4-Dioxane-2,5-diol is an endogenous metabolite.
m-Dithiane
1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
(3-Chloroprop-1-en-1-yl)boronic acid
C3H6BClO2 (120.01493559999999)
ETHYLMETHYLSILOXANE, 2-PHENYLPROPYLMETHYLSILOXANE COPOLYMER
Monosodium phosphate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
noxytiolin
B - Blood and blood forming organs > B05 - Blood substitutes and perfusion solutions > B05C - Irrigating solutions > B05CA - Antiinfectives C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
AI3-62288
1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
3-(Methylthio)propionic acid
A thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. 3-(Methylthio)propionic acid is an intermediate in the methionine metabolism.
Methyl allyl disulfide
An organic disulfide having allyl and methyl as the two organic groups.
Tartronic acid
A dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2.
Erythrulose
Erythrulose. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=40031-31-0 (retrieved 2024-08-19) (CAS RN: 40031-31-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
1,3-Dithiane
1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2]. 1,3-Dithiane is a protected formaldehyde anion equivalent that could serve as a useful labeled synthon[1]. 1,3-Dithiane is also a sulfur-containing Maillard reaction products (MRPs) found in boiled beef extracts. 1,3-Dithiane shows a potent direct-acting mutagenicity toward S. typhimurium TA98 and TA100[2].
2,3-Dihydroxybutanoic acid
A hydroxybutyric acid substituted by hydroxy groups at positions 2 and 3 respectively.
cysteinate(1-)
A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.
(3S), 4-dihydroxybutyric acid
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