Exact Mass: 142.0594
Exact Mass Matches: 142.0594
Found 500 metabolites which its exact mass value is equals to given mass value 142.0594,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Hydroxymethyluracil
5-Hydroxymethyluracil (5hmU), also known as alpha-hydroxythymine, 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. 5hmU has been identified as a thymine base modification found in the genomes of a diverse range of organisms (PMID: 28137275). 5-hydroxymethyluracil has been detected in bacteriophages, dinoflagellates, leishmania, and in eukaryotic genomes where its level appears to be cell type-specific. 5-Hydroxymethyluracil arises from the oxidation of thymine. 5-Hydroxymethyluracil is produced by the enzyme thymine dioxygenase (EC 1.14.11.6) which catalyzes the chemical reaction thymine + 2-oxoglutarate + O2 <-> 5-hydroxymethyluracil + succinate + CO2. The 3 substrates of this enzyme are thymine, 2-oxoglutarate, and O2, whereas its 3 products are 5-hydroxymethyluracil, succinate, and CO2. The 5hmU base can also be generated by oxidation/hydroxylation of thymine by the Ten-Eleven-Translocation (TET) proteins or result from deamination of 5hmC (PMID: 29184924). DNA containing 5hmU has been reported to be more flexible and hydrophilic (PMID: 29184924). 5-Hydroxymethyluracil is an oxidation damage product derived from thymine or 5-methylcytosine. It is a product of thymine dioxygenase [EC 1.14.11.6]. (KEGG) D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D007155 - Immunologic Factors 5-Hydroxymethyluracil is a product of oxidative DNA damage. 5-Hydroxymethyluracil can be used as a potential epigenetic mark enhancing or inhibiting transcription with bacterial RNA polymerase. 5-Hydroxymethyluracil is a product of oxidative DNA damage. 5-Hydroxymethyluracil can be used as a potential epigenetic mark enhancing or inhibiting transcription with bacterial RNA polymerase.
cis,cis-Muconic acid
cis-cis-Muconic acid is a presumptive metabolite of benzene. Muconic acid was first isolated from the urine of rabbits and dogs in 1909 (M. Jaffe, Z Physiol Chem 62:58-67). It was originally thought that if muconic acid was formed by the opening of the benzene ring in vivo then the cis-cis isomer should be the initial (and primary) product. However subsequent studies conducted in the 1950s proved that trans-trans-muconic acid is a true metabolite of benzene in mammals (Parke DV, Williams RT. Biochem J 51:339-348 (1952)). Furthermore, dosing rabbits with phenol or catechol also resulted in the urinary excretion of trans-trans-muconic acid. The oxidative ring opening of benzene first gives rise to cis-cis-muconaldehyde, which then isomerizes to cis-trans- and trans-trans-muconaldehyde; the latter is oxidized in vivo to trans-trans-muconic acid. Isomerization of the trans-trans form may take place in vivo to yield small amounts if the cis-cis and cis-trans form of muconic acid. cis-cis-Muconic acid may also be generated from microbial fermentation of benzoic acid. Certain strains of arthobacter are particularly efficient at this process. cis-cis-Muconic acid can also be found in Pseudomonas and Escherichia coli (https://link.springer.com/article/10.1007/BF00250491) (PMID:26360870). Cis-cis-muconic acid is a presumptive metabolite of benzene. Muconic acid was first isolated from the urine of rabbits and dogs in 1909 ( M. Jaffe, Z Physiol Chem 62:58-67). It was originally thought that if muconic acid were formed by opening of the benzene ring in vivo then the cis-cis isomer should be the initial (and primary) product. However subsequent studies conducted in the 1950s proved that trans-trans-muconic acid is a true metabolite of benzene in mammals (Parke DV, Williams RT. Biochem J 51:339-348 (1952)). Furthermore, dosing rabbits with phenol or catechol also resulted in the urinary excretion of trans-trans-muconic acid. The oxidative ring opening of benzene first gives rise to cis-cis-muconaldehyde, which then isomerizes to cis-trans- and trans-trans-muconaldehyde; the latter is oxidized in vivo to trans-trans-muconic acid. Isomerization of the trans-trans form may take place in vivo to yield small amounts if the cis-cis and cis-trans form of muconic acid. Cis-cis muconic acid may also be generated from microbial fermentation of benzoic acid. Certain strains of arthobacter are particularly efficient at this process. [HMDB] KEIO_ID M105 cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2].
Kojic acid
Kojic acid is a synthetic intermediate for production of food additives. It has been found to be a metabolite in Aspergillus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). Synthetic intermed. for prodn. of food additives Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1]. Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1].
Ectoine
Ectoine belongs to the class of organic compounds known as alpha-amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Ectoine has been identified in urine (PMID: 22409530). CONFIDENCE standard compound; ML_ID 37 C26170 - Protective Agent KEIO_ID E011 Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[1][2].
2-METHYLNAPHTHALENE
2-methylnaphthalene, also known as 2-methylnaphthalene, lithium salt, ion(1-) or 2-methylnaphthalene, naphthalene-1-(13)c-labeled, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 2-methylnaphthalene can be found in corn, which makes 2-methylnaphthalene a potential biomarker for the consumption of this food product. 2-methylnaphthalene is potentially toxic compound. On February 22, 2014, NASA announced a greatly upgraded database for detecting and monitoring PAHs, including 2-methylnaphthalene, in the universe. According to NASA scientists, over 20\\% of the carbon in the universe may be associated with PAHs, possible starting materials for the formation of life. PAHs seem to have been formed shortly after the Big Bang, are abundant in the universe, and are associated with new stars and exoplanets . Acute exposure to PAHs causes irritation and inflammation of the skin and lung tissue. Some symptoms of hemolytic anemia are fatigue, lack of appetite, restlessness, and pale skin. Exposure to large amounts of 2-methylnapthalene may also cause nausea, vomiting, diarrhea, blood in the urine, and a yellow color to the skin (A10, L12).
Sumiki's acid
Sumikis acid is a naturally occurring human metabolite (PMID:949837). Sumikis acid was first identified in the urine of a leukemic patient who was excreting an abnormal amount of its glycine derivative (PMID:5043270). Sumikis acid was found to be excreted by normal subjects after a phenylalanine loading, while heterozygotes for phenylketonuria dont excrete it (instead, they excrete 2-hydroxybenzeneacetic acid) (PMID:4708049). Patients receiving furan-containing sugar solutions i.v. convert 50\\\\% of the 5-hydroxymethyl-2-furfural into Sumikis acid (PMID:4202014). Sumikis acid has been found to be a byproduct of the fungus Aspergillus and probably other species of fungi and yeast as well. Sumikis acid is a naturally occurring human metabolite. (PMID: 949837) Sumikis acid was first identified in the urine of a leukemic patient who was excreting an abnormal amount of its glycine derivative. (PMID: 5043270) 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally. 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally.
1-Methylnaphthalene
1-Methylnaphthalene is found in black walnut. 1-Methylnaphthalene is a flavouring ingredient. Flavouring ingredient. 1-Methylnaphthalene is found in black walnut.
kojic acid
A pyranone that is 4H-pyran substituted by a hydroxy group at position 5, a hydroxymethyl group at position 2 and an oxo group at position 4. It has been isolated from the fungus Aspergillus oryzae. D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.107 Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1]. Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1].
(e,e)-Muconate
trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.
trans-trans-Muconic acid
trans,trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in humans exposed to levels as low as 1 ppm. However, muconic acid may also be derived from sorbic acid and its salts. Dietary supplementation with 500 mg sorbic acid significantly increases the urinary trans,trans-muconic acid excretion. Under study conditions, 0.12\\\\% of the sorbic acid dose is excreted in urine as trans,trans-muconic acid thereby indicating that a typical dietary intake of 6-30 mg/day of sorbic acid accounts for 10-50\\\\% of the background of trans,trans-muconic acid excretion in nonsmokers, and for 5-25\\\\% in smokers (PMID: 8021961, 1487326, 9137998, Int Arch Occup Environ Health. 1997;69(4):247-51.). trans,trans-Muconic acid has been found to be a metabolite in Escherichia coli and Pseudomonas putida (PMID: 26360870). cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2]. trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.
Mesifurane
Mesifurane is found in fruits. Mesifurane is a constituent of various fruits including raspberry, strawberry, mango, pineapple, blackberry and cape gooseberry. Mesifurane is a flavouring agent Constituent of various fruits including raspberry, strawberry, mango, pineapple, blackberry and cape gooseberry. Flavouring agent. Mesifurane is found in fruits.
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
5-Ethylsotolone is produced in protein hydrolysates. Flavouring for foodstuffs
5-Hydroxymaltol
5-Hydroxymaltol is found in cereals and cereal products. 5-Hydroxymaltol is a constituent of flavour of roast barley Hordeum vulgare. Constituent of flavour of roast barley Hordeum vulgare. 5-Hydroxymaltol is found in barley and cereals and cereal products.
Erinapyrone B
Erinapyrone B is found in mushrooms. Erinapyrone B is isolated from Hericium erinaceum (lions mane). Isolated from Hericium erinaceum (lions mane). Erinapyrone B is found in mushrooms.
Homofureanol
Volatile flavour and aroma component of Japanese style soya sauce (shoyu) and fermented soya bean paste (miso). Antioxidant. Isolated from Theobroma grandiforum (cupuassu). Homofureanol is found in many foods, some of which are american cranberry, barley, wild rice, and grass pea. Homofureanol is found in fruits. Homofureanol is a volatile flavour and aroma component of Japanese style soya sauce (shoyu) and fermented soya bean paste (miso). Antioxidant. It is isolated from Theobroma grandiforum (cupuassu).
2,5-Dimethyl-3-(methylthio)furan
2,5-Dimethyl-3-(methylthio)furan is found in coffee and coffee products. 2,5-Dimethyl-3-(methylthio)furan occurs in coffee aroma. Occurs in coffee aroma. 2,5-Dimethyl-3-(methylthio)furan is found in coffee and coffee products.
Erinapyrone A
Erinapyrone A is found in mushrooms. Erinapyrone A is isolated from Hericium erinaceum (lions mane). Isolated from Hericium erinaceum (lions mane). Erinapyrone A is found in mushrooms.
2-[(Ethylthio)methyl]furan
2-[(Ethylthio)methyl]furan is found in coffee and coffee products. 2-[(Ethylthio)methyl]furan is a constituent of roast Arabica coffee aroma. Constituent of roast Arabica coffee aroma. 2-[(Ethylthio)methyl]furan is found in coffee and coffee products.
2,3-Methylenesuccinic acid
2,3-Methylenesuccinic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
Cis,trans-muconate
Cis,trans-muconate is also known as (e,Z)-Muconate or cis,trans-1,3-Butadiene-1,4-dicarboxylate. Cis,trans-muconate is considered to be soluble (in water) and acidic condition. It can be found in Pseudomonas and Escherichia (https://link.springer.com/article/10.1007/BF00250491).
Piracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents Piracetam (UCB-6215) is a cyclic derivative of the neurotransmitter gamma-aminobutyric acid (GABA), used in treatment of a wide range of cognitive disorders.
ethyl-4-hydroxymethyl- 3(2H)-Furanone
Flavouring compound [Flavornet]
5-ethyl-4-hydroxy-2-methyl-3(2H)-furanone
Flavouring compound [Flavornet]
piracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3076 Piracetam (UCB-6215) is a cyclic derivative of the neurotransmitter gamma-aminobutyric acid (GABA), used in treatment of a wide range of cognitive disorders.
2-Decene-4,6,8-triyne-1-al|2-Decene-4,6,8-triyne-1-al-(E)-form|Dec-2t-en-4,6,8-triinal|dec-2t-ene-4,6,8-triynal|Decatriin-(4.6.8)-en-(2)-al-(1)|Decen-(2t)-triin-(4.6.8)-al-(1)|trans-2-Decen-4.6.8-triinal|trans-Dec-2-en-4.6.8-triin-1-al|trans-Decaen-(2)-(4.6.8)-triin-al-(1)
Undeca-1,3t,9t-trien-5,7-diin|undeca-1,3t,9t-triene-5,7-diyne
(+)-dihydroepiepoformin|(2R,3R,4S,6R)-2,3-epoxy-4-hydroxy-6-methylcyclohexan-1-one|(2R,3R,4S,6R)-2,3-epoxy-4-hydroxy-6-methylcyclohexanone|Dihydroepiepoformin
(R)-4-hydroxy-3-((S)-1-hydroxyethyl)cyclopent-2-enone|trichodermone A
1-Undecene-5,7,9-triyne|undec-1-ene-5,7,9-triyne|Undecaen-(1)-triin-(5,7,9)
2-Hydroxy-2-(hydroxymethyl)cyclopent-4-ene-1,3-dione
(1H-indol-3-yl)carbonitrile|1H-indole-3-carbonitrile|3-Cyanoindole|3-indolecarboxynitrile|indole-3-acetonitrile|indole-3-carbonitrile|Nitrile-1H-Indole-3-carboxylic acid
5-Hydroxymethyluracil
A primary alcohol that is uracil bearing a hydroxymethyl substituent at the 5-position. D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D007155 - Immunologic Factors 5-Hydroxymethyluracil is a product of oxidative DNA damage. 5-Hydroxymethyluracil can be used as a potential epigenetic mark enhancing or inhibiting transcription with bacterial RNA polymerase. 5-Hydroxymethyluracil is a product of oxidative DNA damage. 5-Hydroxymethyluracil can be used as a potential epigenetic mark enhancing or inhibiting transcription with bacterial RNA polymerase.
ectoine
C26170 - Protective Agent Ectoine is a natural cell protectant, an amino acid derivate produced by bacteria living under extremely harsh environmental conditions. Ectoine serves as an osmoregulatory compatible solute, increasing the hydration of the skin surface and stabilizing lipid layers, which is useful in skincare. Ectoine demonstrates a good safety profile for the treatment of allergic rhinitis[1][2].
5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
A natural product found particularly in Rubus idaeus and Saccharum officinarum.
2-METHYL-4,5-DIHYDRO-FURAN-3-CARBOXYLIC ACID METHYL ESTER
METHYL 2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLATE
4-(HYDRAZINOMETHYLIDENE)-2-METHYLTETRAHYDROFURAN-3-ONE
1H-Cyclopenta[3,4]cyclobuta[1,2-d]pyrimidine (9CI)
1H-Imidazole-4-carboxylicacid,4,5-dihydro-4-methyl-,methylester,(S)-(9CI)
5-Isoxazolecarboxylicacid,3-amino-,methylester(9CI)
[1-(2-Methyl-1,3-thiazol-4-yl)ethyl]amine dihydrochloride
4-(2-HYDROXYETHYL)-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
(6-CHLORO-2-METHANESULFINYL-PYRIMIDIN-4-YL)-ETHYL-AMINE
1,2,5-Oxadiazole-3-carboximidicacid,4-amino-,hydrazide(9CI)
2-hydrazinyl-2,3-dihydro-6-methylpyrimidin-4(1H)-one
6-OXO-1,4,5,6-TETRAHYDROPYRIDAZIN-3-CARBOXYLIC ACID
1-Cyclopentene-1-carboxylic acid, 2-(hydroxymethyl)- (8CI,9CI)
4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
3-(1,3-thiazol-2-yl)propan-1-amine(SALTDATA: 2HCl 0.25H2O 0.1N2H4 HCl)
CYCLOPROPANECARBOXYLIC ACID, 1-FORMYL-, ETHYL ESTER
1H-1,2,3-Triazole-4-carboxamide,5-hydroxy-N-methyl-(9CI)
Pyrimidine, 5-amino-4-fluoro-6-(methylamino)- (7CI,8CI)
1H-Imidazole-4-carboxylic acid, 5-(hydroxymethyl)- (9CI)
2H-Tetrazole-5-carboxylicacid,2-methyl-,methylester(9CI)
3-Oxabicyclo[3.1.0]hexane-6-carboxylicacid,methylester(7CI)
4-CYCLOPROPYL-6-(METHYLTHIO)-1,3,5-TRIAZIN-2-AMINE
4-(2-hydroxyethyl)-5-methyl-2,4-dihydropyrazol-3-one
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-METHYL-4-CARBOXYLIC ACID
(6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate
6-Ketopiperidine-2-carboxylate
A monocarboxylic acid anion that is the conjugate base of 6-ketopiperidine-2-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Methylnaphthalene
A methylnaphthalene carrying a methyl substituent at position 1.
2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone
A member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce.
2-[(Ethylthio)methyl]furan
A member of the class of furans that is furan substituted by an (ethylsulfanyl)methyl group at position 2.
(2s)-5-imino-1-methylpyrrolidine-2-carboxylic acid
(1s,2r,5s,6r)-3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
1,4-dihydro-1,4-methanonaphthalene
{"Ingredient_id": "HBIN001426","Ingredient_name": "1,4-dihydro-1,4-methanonaphthalene","Alias": "NA","Ingredient_formula": "C11H10","Ingredient_Smile": "C1C2C=CC1C3=CC=CC=C23","Ingredient_weight": "142.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40685","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "97391","DrugBank_id": "NA"}
1H-Benzocycloheptene
{"Ingredient_id": "HBIN002555","Ingredient_name": "1H-Benzocycloheptene","Alias": "NA","Ingredient_formula": "C11H10","Ingredient_Smile": "C1C=CC=C2C1=CC=CC=C2","Ingredient_weight": "142.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38217","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21319341","DrugBank_id": "NA"}
