Exact Mass: 140.0044334
Exact Mass Matches: 140.0044334
Found 406 metabolites which its exact mass value is equals to given mass value 140.0044334,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Phosphonoacetate
Phosphonoacetate, also known as fosfonet or phosphonacetic acid, belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. Phosphonoacetate exists in all living organisms, ranging from bacteria to humans. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AD - Phosphonic acid derivatives A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [HMDB] D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent KEIO_ID P082 Phosphonoacetic acid is an endogenous metabolite. Phosphonoacetic acid also has anti-orthopoxvirus activity[1].
Gentisyl alcohol
An aromatic primary alcohol that is benzyl alcohol substituted by hydroxy groups at positions 2 and 5. CONFIDENCE Culture of Penicillium eurotium strain
Acetylphosphate
Acetylphosphate, also known as acetyl-p, belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. Since acetylphosphate synthesis is known to depend on cholinesterase activity, pseudocholinesterase was assumed to participate to a small extent in acetylphosphate synthesis by cancerous serum. It is also an intermediate in pyruvate metabolism. Acetylphosphate is a drug. Acetylphosphate exists in all living organisms, ranging from bacteria to humans. Acetylphosphate can be converted into acetic acid; which is mediated by the enzyme acylphosphatase-1. It is generated from pyruvate and the formation is catalyzed by pyruvate oxidase (EC:1.2.3.3). In humans, acetylphosphate is involved in the metabolic disorder called the pyruvate dehydrogenase complex deficiency pathway. It is generated from sulfoacetaldehyde, converted to acetyl-CoA and acetate via phosphate acetyltransferase (EC:2.3.1.8) and acetate kinase (EC:2.7.2.1) respectively. Acetylphosphate or actyl phosphate is a compound involved in taurine and hypotaurine metabolism as well as pyruvate metabolism. Cancerous serum produced 37\\% less acetylphosphate than normal serum. Cancerous serum produced 37\\% less acetylphosphate than normal serum. Since acetylphosphate synthesis is known to depend on cholinesterase activity, pseudocholinesterase was assumed to participate to a small extent in acetylphosphate synthesis by cancerous serum.( Rev. sci. Med., Acad. rep. populaire Roumaine (1960), 5 7-10) [HMDB]
cis-4-Carboxymethylenebut-2-en-4-olide
This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
SARIN
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
5-Formyluracil
A pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides. D009676 - Noxae > D009153 - Mutagens
Ethyl maltol
Ethyl maltol, also known as 3-hydroxy-2-ethyl-4-pyrone or indium ethylmaltol, is a member of the class of compounds known as pyranones and derivatives. These compounds contain a pyran ring which bears a ketone. Ethyl maltol is soluble (in water) and a very weakly acidic compound (based on its pKa). Ethyl maltol is an organic compound that is a common flavourant in some confectioneries. It is related to the more common flavorant maltol by replacement of the methyl group with an ethyl group. It is a white solid with a sweet smell that can be described as caramelized sugar and cooked fruit (Wikipedia). Ethyl maltol is a flavour enhancer, flavouring agent, and a sweetener. It has 4-6X the potency of 3-hydroxy-2-methyl-4H-pyran-4-one.
Flavour enhancer and flavouring agent, sweetener, 4-6 x potency of 3-Hydroxy-2-methyl-4H-pyran-4-one
2-Methoxy-1,3-benzenediol
2-Methoxy-1,3-benzenediol, also known as 2-methoxyresorcinol or 2-O-methylpyrogallol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 2-Methoxy-1,3-benzenediol is an extremely weak basic (essentially neutral) compound (based on its pKa). BioTransformer predicts that 2-methoxy-1,3-benzenediol is a product of 1-(2,4-dihydroxy-3-methoxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)propan-1-one metabolism via a keto-hydrolysis-pattern5 reaction occurring in human gut microbiota and catalyzed by an unspecified-gutmicro enzyme (PMID: 30612223).
3-methoxybenzene-1,2-diol
3-methoxybenzene-1,2-diol is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-methoxyphenol. It is generated by cyp1a2 enzyme via a hydroxylation-of-benzene-ortho-to-edg reaction. This hydroxylation-of-benzene-ortho-to-edg occurs in humans.
Kahweofuran
Kahweofuran is found in coffee and coffee products. Kahweofuran is a constituent of the aroma of roasted coffee. Constituent of the aroma of roasted coffee. Kahweofuran is found in coffee and coffee products.
2-Acetyl-5-methylthiophene
2-Acetyl-5-methylthiophene is found in coffee and coffee products. Organoleptic. 2-Acetyl-5-methylthiophene is a constituent of coffee aroma. Organoleptic. Constituent of coffee aroma. 2-Acetyl-5-methylthiophene is found in coffee and coffee products.
Ethyl furoate
Ethyl furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. Flavouring compound [Superscent]
2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers)
2-Methyl-3-(methylthio)pyrazine is found in coffee and coffee products. 2-Methyl-3-(methylthio)pyrazine is a constituent of coffee aroma and flavouring agent *FEMA 3208*, as mixture with regioisomers. Constituent of coffee aroma and flavouring agent *FEMA 3208*, as mixture with regioisomers. 2-Methyl-3-(methylthio)pyrazine is found in coffee and coffee products.
Ethyl 3-furoate
Ethyl 3-furoate belongs to the family of Furoic Acid Derivatives. These are organic compounds containing a furoic acid moiety, whose structure is characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
Methyl (methylthio)methyl disulfide
Methyl (methylthio)methyl disulfide is found in brassicas. Methyl (methylthio)methyl disulfide is found in essential oil of hops and in Camembert cheeses, cooked cabbage, broccoli and cauliflowe Found in essential oil of hops and in Camembert cheeses, cooked cabbage, broccoli and cauliflower
2-(Methylthio)phenol
2-(Methylthio)phenol is found in coffee and coffee products. 2-(Methylthio)phenol is present in coffee. 2-(Methylthio)phenol is a flavouring agent. Present in coffee. Flavouring agent. 2-(Methylthio)phenol is found in coffee and coffee products.
3,5-Dihydroxyanisole
3,5-Dihydroxyanisole, also known as 5-methoxyresorcinol or flamenol, belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 3,5-Dihydroxyanisole is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 3,5-dihydroxyanisole has been detected, but not quantified in, several different foods, such as annual wild rice, prairie turnips, thistles, grapefruit/pummelo hybrids, and pecan nuts. This could make 3,5-dihydroxyanisole a potential biomarker for the consumption of these foods. BioTransformer predicts that 3,5-dihydroxyanisole is a product of helichrysetin metabolism via a keto-hydrolysis-pattern5 reaction occurring in human gut microbiota and catalyzed by an unspecified-gutmicro enzyme (PMID: 30612223). 5-methoxybenzene-1,3-diol, also known as flamenol or 5-methoxyresorcinol, is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 5-methoxybenzene-1,3-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-methoxybenzene-1,3-diol can be found in a number of food items such as chinese mustard, malus (crab apple), broad bean, and nanking cherry, which makes 5-methoxybenzene-1,3-diol a potential biomarker for the consumption of these food products. C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
2-Methoxybenzenethiol
2-Methoxybenzenethiol is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Propanoylthiophene
2-Propanoylthiophene is a maillard product. Maillard product
Furfuryl acetate
Furfuryl acetate is found in alcoholic beverages. Furfuryl acetate is a flavouring ingredient. Furfuryl acetate is present in wheat bread, crisp bread, roasted onion, pork liver, beer, rum, cocoa, coffee, roasted filbert, roasted peanut, roasted almond, shoyu, sukiyake, liquorice and Bourbon vanill Furfuryl acetate is a flavouring ingredient. It is found in wheat bread, crisp bread, roasted onion, pork liver, beer, rum, cocoa, coffee, roasted filbert, roasted peanut, roasted almond, shoyu, sukiyake, liquorice and Bourbon vanilla. Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
Pyrazineethanethiol
Pyrazineethanethiol is a flavouring ingredient. Flavouring ingredient
Ethyl methyl trisulfide
Ethyl methyl trisulfide is found in animal foods. Ethyl methyl trisulfide is found in durian fruit, cooked beef, crucifers, pork, Chinese chive (Allium tuberosum), Rakkyo (Allium chinense), coffee and roasted peanut aroma. Ethyl methyl trisulfide is a flavouring for meat products. Found in durian fruit, cooked beef, crucifers, pork, Chinese chive (Allium tuberosum), Rakkyo (Allium chinense), coffee and roasted peanut aroma. Flavouring for meat products
2-Methyl-5-(methylthio)pyrazine
2-Methyl-5-(methylthio)pyrazine is a flavouring ingredient with roasted almond/hazelnut flavour. 2-Methyl-5-(methylthio)pyrazine is a component of FEMA 3208 together with regioisomers. Flavouring ingredient with roasted almond/hazelnut flavour. Component of FEMA 3208 together with regioisomers
2-Methyl-6-(methylthio)pyrazine
2-Methyl-6-(methylthio)pyrazine is a flavouring ingredient with roasted almond-hazelnut aroma. 2-Methyl-6-(methylthio)pyrazine is a component of FEMA 3208, together with regioisomers. Flavouring ingredient with roasted almond-hazelnut aroma. Component of FEMA 3208, together with regioisomers
2-Acetyl-3-methylthiophene
2-Acetyl-3-methylthiophene is a flavouring ingredient with a honey-like flavour. Flavouring ingredient with a honey-like flavour
trans-4-Carboxymethylenebut-2-en-4-olide
This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
3-chlorobenzaldehyde
3-chlorobenzaldehyde belongs to benzoyl derivatives class of compounds. Those are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 3-chlorobenzaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-chlorobenzaldehyde can be found in a number of food items such as calabash, black raspberry, ginger, and tartary buckwheat, which makes 3-chlorobenzaldehyde a potential biomarker for the consumption of these food products.
phenylmethanesulfenic acid
Phenyl-methanesulfonic acid is a sulfonic acid that inhibits the oxidation of hydroxyl groups to form reactive oxygen species. It has been shown to have antihypertensive activity and inhibit the production of bowel disease enzymes, such as casein, growth factor, and inflammatory bowel disease enzymes. Phenyl-methanesulfonic acid has also been shown to be an effective inhibitor of light exposure in cells, which may be due to its ability to increase the production of a protein called melanin.
Coumalic_acid
Coumalic acid is a pyranone.
Phosphonoacetate
Phosphonoacetic acid is an endogenous metabolite. Phosphonoacetic acid also has anti-orthopoxvirus activity[1].
Phosphonoacetic acid
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AD - Phosphonic acid derivatives D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Phosphonoacetic acid is an endogenous metabolite. Phosphonoacetic acid also has anti-orthopoxvirus activity[1].
Furfuryl acetate
Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
CIS-TETRAHYDRO-1H-CYCLOPENTA[C]FURAN-1,3(3AH)-DIONE
1-Cyclopentene-1-carboxylicacid,5-oxo-,methylester(9CI)
POLYPROPYLENE-GRAFT-MALEIC ANHYDRIDE, AV ERAGE MW CA. 9,100
4-Pyrimidinecarboxaldehyde, 1,2-dihydro-2-thioxo- (9CI)
Alanine, 3-amino-, hydrochloride (1:1)
C3H9ClN2O2 (140.03525240000002)
Alanine, 3-amino-, hydrochloride (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=54897-59-5 (retrieved 2024-07-09) (CAS RN: 54897-59-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 2,3-Diaminopropanoic acid hydrochloride is an endogenous metabolite.
2-Oxabicyclo[3.1.0]hex-3-ene-6-carboxylicacid,methylester(7CI)
2(3H)-Furanone, 4-ethynyldihydro-5-hydroxy-3-methyl- (9CI)
1-Cyclopentene-1-carboxylicacid,3-oxo-,methylester(9CI)
Lesogaberan
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists C78276 - Agent Affecting Digestive System or Metabolism D005765 - Gastrointestinal Agents
3-(2-Methylidenecyclopropyl)-2-oxopropanoic acid
D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
Sodium;phosphoric acid;fluoride
D020011 - Protective Agents > D002327 - Cariostatic Agents > D005459 - Fluorides D001697 - Biomedical and Dental Materials
AI3-11016
Furfuryl acetate can be used in the synthesis of 5-acetoxymethyl-2-vinylfuran and 5-hydroxymethyl-2-vinylfuran[1].
2-Ammonioethyl phosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2e)-2-Ethylidene-4-Hydroxy-5-Methylfuran-3(2h)-One
2-Aminomuconate 6-semialdehyde(1-)
Conjugate base of 2-aminomuconic 6-semialdehyde arsing from deprotonation of the carboxylic acid function. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,6-Dihydroxypyridine-2,5-dione(1-)
An organic anion that is the conjugate base of 3,6-dihydroxypyridine-2,5-dione, obtained by selective deprotonation of the hydroxy group at positions 2.
4-FLUOROBENZOIC ACID
A fluorobenzoic acid carrying a fluoro substituent at position 4.
(S)-2-Hydroxypropylphosphonic acid
2-Hydroxypropylphosphonic acid with S configuration at the chiral centre.
Sulfoacetate
A carboxyalkanesulfonic acid that is the C-sulfo derivative of acetic acid.
flamenol
A member of the class of resorcinols that is phloroglucinol in which one of the phenolic hydrogens has been replaced by a methyl group.
O-phosphonatoethanaminium(1-)
An organophosphate oxoanion that is the conjugate base of O-phosphoethanolamine arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.
cis,cis-Muconate
A muconate that is the conjugate base of (2Z,4Z)-5-carboxypenta-2,4-dienoate.
SARIN
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D004791 - Enzyme Inhibitors
2-hydroxypropylphosphonic acid
A phosphonic acid consisting of propan-2-ol with the phospho group at the 1-position.
Cis,trans-muconate
A muconate that is the dianion obtained by the deprotonation of both the carboxy groups of cis,trans-muconic acid.
trans,trans-Muconate
A muconate that is the dianion obtained by the deprotonation of both the carboxy groups of trans,trans-muconic acid.
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone
A member of the class of furans that is (2E)-2-ethylidenefuran-3(2H)-one carrying additional hydroxy and methyl substituents at positions 4 and 5 respectively.
acetyl dihydrogen phosphate
An acyl monophosphate in which the acyl group specified is acetyl.
beta-(methylenecyclopropyl)pyruvic acid
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by a methylenecyclopropyl group.