Exact Mass: 111.992546
Exact Mass Matches: 111.992546
Found 195 metabolites which its exact mass value is equals to given mass value 111.992546,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridazine-3,6-diol
D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Uracil
Uracil, also known as U, belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Uracil is a common naturally occurring pyrimidine found in RNA. It base pairs with adenine and is replaced by thymine in DNA. Uracil is one of the four nucleobases in RNA that are represented by the letters A, G, C and U. Methylation of uracil produces thymine. The name "uracil" was coined in 1885 by the German chemist Robert Behrend, who was attempting to synthesize derivatives of uric acid. Originally discovered in 1900, uracil was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. Uracil exists in all living species, ranging from bacteria to plants to humans. Uracils use in the body is to help carry out the synthesis of many enzymes necessary for cell function through bonding with riboses and phosphates. Uracil serves as an allosteric regulator and a coenzyme for many important biochemical reactions. Uracil (via the nucleoside uridine) can be phosphorylated by various kinases to produce UMP, UDP and UTP. UDP and UTP regulate carbamoyl phosphate synthetase II (CPSase II) activity in animals. Uracil is also involved in the biosynthesis of polysaccharides and in the transport of sugars containing aldehydes. Within humans, uracil participates in a number of enzymatic reactions. In particular, uracil and ribose 1-phosphate can be biosynthesized from uridine; which is mediated by the enzyme uridine phosphorylase 2. In addition, uracil can be converted into dihydrouracil through the action of the enzyme dihydropyrimidine dehydrogenase [NADP(+)]. Uracil is rarely found in DNA, and this may have been an evolutionary change to increase genetic stability. This is because cytosine can deaminate spontaneously to produce uracil through hydrolytic deamination. Therefore, if there were an organism that used uracil in its DNA, the deamination of cytosine (which undergoes base pairing with guanine) would lead to formation of uracil (which would base pair with adenine) during DNA synthesis. Uracil can be used for drug delivery and as a pharmaceutical. When elemental fluorine reacts with uracil, it produces 5-fluorouracil. 5-Fluorouracil is an anticancer drug (antimetabolite) that mimics uracil during the nucleic acid (i.e. RNA) synthesis and transcription process. Because 5-fluorouracil is similar in shape to, but does not undergo the same chemistry as, uracil, the drug inhibits RNA replication enzymes, thereby blocking RNA synthesis and stopping the growth of cancerous cells. Uracil is a common and naturally occurring pyrimidine derivative. Originally discovered in 1900, it was isolated by hydrolysis of yeast nuclein that was found in bovine thymus and spleen, herring sperm, and wheat germ. It is a planar, unsaturated compound that has the ability to absorb light. Uracil. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=66-22-8 (retrieved 2024-07-01) (CAS RN: 66-22-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
2-Furoic acid
Furoic acid is a metabolite that appears in the urine of workers occupationally exposed to furfural and is a marker of exposure to this compound. Furfural is a heterocyclic aldehyde that is commonly used as a solvent in industry. It is readily absorbed into the body via the lungs and has significant skin absorption. Furfural is an irritant of the eyes, mucous membranes, and skin and is a central nervous system depressant. Furfural as a confirmed animal carcinogen with unknown relevance to humans (It has been suggested that is a substance that produces hepatic cirrhosis). Once in the body, furfural is metabolized rapidly via oxidation to the metabolite furoic acid, which is then conjugated with glycine and excreted in the urine in both free and conjugated forms. (PMID: 3751566, 4630229, 12587683). 2-Furoic acid is a biomarker for the consumption of beer. 2-Furancarboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=88-14-2 (retrieved 2024-07-10) (CAS RN: 88-14-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
Chlorobenzene
Chlorobenzene is an aromatic organic compound with the chemical formula C6H5Cl. This colorless, flammable liquid is a common solvent and a widely used intermediate in the manufacture of other chemicals. Rhodococcus phenolicus is a bacterium species able to degrade chlorobenzene as sole carbon sources.
1,1-Dichloroethylene epoxide
1,1-Dichloroethylene epoxide, also known as DCE epoxide is a compound belonging to the family of compounds known as orthocarboxylic acid derivatives. These are organic compounds containing the orhtocarboxylic acid functional group, with the RC(X)(X)X (R=H, alkyl,aryl; X=OH,alkoxy,aryloxy, (substituted amino), etc. (PMID: 16098521). Epoxides are compounds containing a cyclic ether with three ring atoms (one oxygen and two carbon atoms). DCE epoxide is a urinary metabolite of 1,1-Dichloroethene (DCE), or vinylidine chloride (PMID: 15319346, 11270662). DCE is mainly used as a comonomer in the production and polymerization of plastics such as polyvinyl chloride, acrylonitrile, and acrylates. As a result, DCE is widely distributed in the environment and in plastics. DCE was the precursor to the original form of saran-wrap or cling-wrap (clear plastic wrap used to preserve foods), but this has been phased out due to concerns over the carcinogenicity of DCE.
2,2-Dichloroacetaldehyde
This compound belongs to the family of Enolates. These are salts of enols (or of the tautomeric aldehydes or ketones), in which the anionic charge is delocalized over oxygen and carbon, or similar covalent metal derivatives in which the metal is bound to oxygen.
Chloroacetyl chloride
Chloroacetyl chloride is a chlorinated acyl chloride. It is a bifunctional compound, making it a useful building block chemical. (Wikipedia)
2-Thiophenecarboxaldehyde
Formylthiophene is an aldehyde that is thiophene substituted by a formyl group at position 2. It has a role as a metabolite. It is a member of thiophenes and an aldehyde. Thiophene-2-carbaldehyde is a natural product found in Coffea arabica, Sergia lucens, and Capparis spinosa with data available. An aldehyde that is thiophene substituted by a formyl group at position 2. 2-Thiophenecarboxaldehyde is a flavour ingredien COVID info from PDB, Protein Data Bank Flavour ingredient Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Thiophenecarboxaldehyde is an endogenous metabolite.
3-Furoic acid
3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315) [HMDB] 3-Furoic acid is an organic acid regularly occurring in urine of healthy individuals. (PMID 2338430). 3-Furoic acid is also a compound found in honey and honeydew samples (PMID 11403496), and is a structural analog of nicotinic acid (niacin, a vitamin of the B complex). (PMID 12563315). 3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
2,5-Dimethylthiophene
2,5-Dimethylthiophene is found in garden onion. 2,5-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 2,5-Dimethylthiophene is found in garden onion and soft-necked garlic.
2,3-Dihydroxy-2,4-cyclopentadien-1-one
2,3-Dihydroxy-2,4-cyclopentadien-1-one is found in herbs and spices. 2,3-Dihydroxy-2,4-cyclopentadien-1-one is a constituent of the seeds of Trifolium repens (white clover). Constituent of the seeds of Trifolium repens (white clover). 2,3-Dihydroxy-2,4-cyclopentadien-1-one is found in tea, herbs and spices, and pulses.
3-Hydroxy-2H-pyran-2-one
3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages. 3-Hydroxy-2H-pyran-2-one is a component of brandy spirit. Component of brandy spirit. 3-Hydroxy-2H-pyran-2-one is found in alcoholic beverages.
2,4-Dimethylthiophene
2,4-Dimethylthiophene is found in garden onion. 2,4-Dimethylthiophene is a constituent of Allium species. Also found in various cooked foods. 2,4-Dimethylthiophene is an odorant used in food flavouring. Constituent of Allium subspecies. Also found in various cooked foods. Odorant used in food flavouring.
2,3-Dimethylthiophene
2,3-Dimethylthiophene is found in garden onion. 2,3-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 2,3-Dimethylthiophene is found in garden onion.
3,4-Dimethylthiophene
3,4-Dimethylthiophene is found in garden onion. 3,4-Dimethylthiophene is an odorant used in food flavouring. Odorant used in food flavouring. 3,4-Dimethylthiophene is found in garden onion.
2-Ethylthiophene
2-Ethylthiophene is found in animal foods. 2-Ethylthiophene is a maillard product; present in roast meat arom Maillard product; present in roast meat aroma. 2-Ethylthiophene is found in animal foods and guava.
3-Ethylthiophene
3-Ethylthiophene is found in animal foods. 3-Ethylthiophene is a maillard product; present in roast meat arom Maillard product; present in roast meat aroma. 3-Ethylthiophene is found in animal foods.
4-Carboxypyrazole
4-Carboxypyrazole is a metabolite of fomepizole. Fomepizole or 4-methylpyrazole is indicated for use as an antidote in confirmed or suspected methanol or ethylene glycol poisoning. It may be used alone or in combination with hemodialysis. Apart from medical uses, the role of 4-methylpyrazole in coordination chemistry has been studied. (Wikipedia) 4-Carboxypyrazole is an endogenous metabolite.
Methylphosphate
Methylphosphate, also known as monomethyl phosphate or MMP, belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Methylphosphate is a moderately acidic compound (based on its pKa). Methylphosphate is a methyl ester of phosphoric acid. It is a colourless, nonvolatile liquid, and it has some specialized uses in the production of other compounds.
3-Methyl-2-cyclopentene-1-thione
3-methyl-2-cyclopentene-1-thione is a member of the class of compounds known as thioketones. Thioketones are compounds in which the oxygen of a ketone has been replaced by divalent sulfur R2C=S ( R not H ). Thioketones that have an alpha-hydrogen interconvert with Thioenols. Moreover, they interconvert with thioaldehydes. 3-methyl-2-cyclopentene-1-thione is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-methyl-2-cyclopentene-1-thione can be found in soft-necked garlic, which makes 3-methyl-2-cyclopentene-1-thione a potential biomarker for the consumption of this food product.
Thiophen-3-carboxyaldehyde
Thiophen-3-carboxyaldehyde is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. Thiophen-3-carboxyaldehyde is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Thiophen-3-carboxyaldehyde can be found in kohlrabi, which makes thiophen-3-carboxyaldehyde a potential biomarker for the consumption of this food product.
Magnesium oxalate
Magnesium oxalate, also known as magnesium oxalic acid or dipotassium oxalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Magnesium oxalate is soluble (in water) and a moderately acidic compound (based on its pKa). Magnesium oxalate can be found in garden rhubarb, which makes magnesium oxalate a potential biomarker for the consumption of this food product. Magnesium oxalate is an inorganic compound comprising a magnesium cation with a 2+ charge bonded to an oxalate anion. It has the chemical formula MgC2O4. Magnesium oxalate is a white solid that comes in two forms: an anhydrous form and a dihydrate form where two water molecules are complexed with the structure. Both forms are practically insoluble in water and are insoluble in organic solutions .
Sodium lactate
Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses. Sodium lactate is the sodium salt of lactic acid produced by fermentation of a sugar source, such as corn or beets. As a food additive, sodium lactate has the E number E325 and naturally is a Liquid product, but also is available in powder form. Emulsifier, flavour-enhancer, humectant, pH control agent, glycerol substitute and other food processing uses
Methanethiosulfonate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
acetylene dicarboxamide|acetylene dicarboxylic acid diamide|acetylene dicarboxylic diamide|acetylene-dicarboxamide|Acetylenedicarbonitrile|acetylenedicarboxamide|acetylenedicarboxylic acid diamide
8J0G2X46R7
3-Hydroxy-4H-pyran-4-one is a natural product found in Parthenium integrifolium, Erigeron breviscapus, and Erigeron annuus with data available. Pyromeconic acid is an antifungal substance[1]. Pyromeconic acid is an antifungal substance[1].
Uracil
A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ISAKRJDGNUQOIC_STSL_0177_Uracil_8000fmol_180430_S2_LC02_MS02_198; 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. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
3-FUROIC ACID
A furoic acid carrying the carboxy group at position 3. 3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
2-FUROIC ACID
A furoic acid having the carboxylic acid group located at position 2. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
1,2,4-Triazole-3-carboxamide
A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin.
3-Furoate
3-Furanoic acid is an endogenous metabolite. 3-Furanoic acid is an endogenous metabolite.
&alpha
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 2-Thiophenecarboxaldehyde is an endogenous metabolite.
3,4-Dimethylthiophene
A thiophene that is substituted by methyl groups at positions 3 and 4.
Sodium lactate
C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent
1,3,4-Oxadiazole-2-carboxaldehyde, 5-methyl- (9CI)
Sodium D-lactate
D-(-)-Lactic acid ((R)-2-Hydroxypropionic acid ) sodium is an endogenous metabolite.
Cellocidin
A dicarboxylic acid diamide resulting from the formal condensation of both of the carboxy groups of butynedioic acid with ammonia. An antibacterial agent produced by Streptomyces chibaensis.
O-(2-aminoethyl)hydroxylamine,hydrochloride
C2H9ClN2O (112.04033740000001)
Sodium methoxyacetate
An organic sodium salt comprising equal numbers of sodium and methoxyacetate ions.
Pirod
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA. Uracil is a common and naturally occurring pyrimidine derivative and one of the four nucleobases in the nucleic acid of RNA.
furoic acid
2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2]. 2-Furoic acid (Furan-2-carboxylic acid) is an organic compound produced through furfural oxidation[1]. 2-Furoic acid exhibits hypolipidemic effet, lowers both serum cholesterol and serum triglyceride levels in rats[2].
2-Thiophenecarboxaldehyde
2-thiophenecarboxaldehyde, also known as alpha-formylthiophene or 2-thienylaldehyde, is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-thiophenecarboxaldehyde is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-thiophenecarboxaldehyde has a sulfurous taste. 2-thiophenecarboxaldehyde exists in all eukaryotes, ranging from yeast to humans. 2-Thiophenecarboxaldehyde is an endogenous metabolite.
1-Pyrroline-2-carboxylate
The anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid.
3,4-Dihydro-2H-Pyrrole-2-carboxylate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(R)-1-pyrroline-5-carboxylate
A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (R)-1-pyrroline-5-carboxylic acid.
Magnesium oxalate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019163 - Reducing Agents
MALEIC HYDRAZIDE
D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Methyl dihydrogen phosphate
A monoalkyl phosphate having methyl as the alkyl group.
3-formylthiophene
An aldehyde that is thiophene substituted by a formyl group at position 3.
methylselenenic acid
An organoselenium compound comprising a methyl and hydroxy group covalently bound to a selenium atom.
(S)-1-Pyrroline-5-carboxylate
A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid.
1-Pyrroline-5-carboxylate
A 1-pyrrolinecarboxylate resulting from the removal of the proton from the carboxy group of 1-pyrroline-5-carboxylic acid.
1-propenyl-1-propynyl sulfide
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