Exact Mass: 182.9836
Exact Mass Matches: 182.9836
Found 286 metabolites which its exact mass value is equals to given mass value 182.9836,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Se-Methylselenocysteine
Se-Methylselenocysteine (SeMSC) is a naturally occurring seleno-amino acid that is synthesized by plants such as garlic, astragalus, onions, and broccoli. It cannot be synthesized by higher animals. Unlike selenomethionine, which is incorporated into proteins in place of methionine, SeMSC is not incorporated into any proteins, thereby being fully available for the synthesis of selenium-containing enzymes such as glutathione peroxidase. Selenomethionine is the major seleno-compound in cereal grains (wheat grain, maize, and rice), soybeans, and enriched yeast. Seleno-compounds present in plants may have a profound effect upon the health of animals and human subjects. It is now known that the total Se content cannot be used as an indication of its efficacy, but knowledge of individual selenocompounds is necessary to fully assess the significance. Thus, speciation of the seleno-compounds has moved to the forefront. Since animals and man are dependent upon plants for their nutritional requirements, this makes the types of seleno-compounds in plants even more critical. Se enters the food chain through incorporation into plant proteins, mostly as selenocysteine and selenomethionine at normal Se levels. There are two possible pathways for the catabolism of selenomethionine: (1) a transsulfuration pathway via selenocystathionine to produce selenocysteine, which in turn is degraded to H2Se by the enzyme beta-lyase and (2) a transamination-decarboxylation pathway. It was estimated that 90\\\\% of methionine is metabolized through this pathway and thus could be also the major route for selenomethionine catabolism (PMID: 14748935 , Br J Nutr. 2004 Jan;91(1):11-28.). Selenomethionine is an amino acid containing selenium. The L-isomer of selenomethionine, known as Se-met and Sem, is a common natural food source of selenium. In vivo, selenomethionine is randomly incorporated instead of methionine and is readily oxidized. Its antioxidant activity arises from its ability to deplete reactive species. Selenium and sulfur are chalcogen elements that share many chemical properties and the substitution of methionine to selenomethionine may have no effect on protein structure and function. However, the incorporation of selenomethionine into tissue proteins and keratin in horses causes alkali disease. Alkali disease is characterized by emaciation, loss of hair, deformation and shedding of hooves, loss of vitality, and erosion of the joints of long bones. Se-methyl-L-selenocysteine is an L-alpha-amino acid compound having methylselanylmethyl as the side-chain. It has a role as an antineoplastic agent. It is a Se-methylselenocysteine, a non-proteinogenic L-alpha-amino acid and a L-selenocysteine derivative. It is a conjugate base of a Se-methyl-L-selenocysteinium. It is a conjugate acid of a Se-methyl-L-selenocysteinate. It is an enantiomer of a Se-methyl-D-selenocysteine. It is a tautomer of a Se-methyl-L-selenocysteine zwitterion. Methylselenocysteine has been used in trials studying the prevention of Prostate Carcinoma and No Evidence of Disease. Se-Methylselenocysteine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Methylselenocysteine is a naturally occurring organoselenium compound found in many plants, including garlic, onions, and broccoli, with potential antioxidant and chemopreventive activities. Se-Methyl-seleno-L-cysteine (MSC) is an amino acid analogue of cysteine in which a methylselenium moiety replaces the sulphur atom of cysteine. This agent acts as an antioxidant when incorporated into glutathione peroxidase and has been shown to exhibit potent chemopreventive activity in animal models. Se-Methylselenocysteine (SeMSC) is a naturally occurring seleno-amino acid that is synthesized by plants such as garlic, astragalus, onions and broccoli. Unlike selenomethionine, which is incorporated into proteins in place of methionine, SeMSC is not incorporated into any proteins, thereby being fully available for the synthesis of selenium-containing enzymes such as glutathione peroxidase. 3-(Methylseleno)alanine is found in many foods, some of which are common cabbage, white cabbage, lima bean, and cauliflower. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents C26170 - Protective Agent > C275 - Antioxidant D000970 - Antineoplastic Agents Se-Methylselenocysteine, a precursor of Methylselenol, has potent cancer chemopreventive activity and anti-oxidant activity. Se-Methylselenocysteine is orally bioavailable, and induces apoptosis[1][2]. Se-Methylselenocysteine, a precursor of Methylselenol, has potent cancer chemopreventive activity and anti-oxidant activity. Se-Methylselenocysteine is orally bioavailable, and induces apoptosis[1][2].
Acephate
CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1493; ORIGINAL_PRECURSOR_SCAN_NO 1491 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3008; ORIGINAL_PRECURSOR_SCAN_NO 3003 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1469; ORIGINAL_PRECURSOR_SCAN_NO 1467 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1489; ORIGINAL_PRECURSOR_SCAN_NO 1488 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3023; ORIGINAL_PRECURSOR_SCAN_NO 3020 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3022; ORIGINAL_PRECURSOR_SCAN_NO 3018 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3000; ORIGINAL_PRECURSOR_SCAN_NO 2996 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1491; ORIGINAL_PRECURSOR_SCAN_NO 1488 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1478; ORIGINAL_PRECURSOR_SCAN_NO 1476 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3021; ORIGINAL_PRECURSOR_SCAN_NO 3018 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3035; ORIGINAL_PRECURSOR_SCAN_NO 3030 CONFIDENCE standard compound; INTERNAL_ID 702; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1488; ORIGINAL_PRECURSOR_SCAN_NO 1486 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 3111 D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Saccharin
Saccharin, ammonium salt is used as a food additive [EAFUS] (EAFUS: Everything Added to Food in the United States). Saccharin belongs to the family of aromatic homomonocyclic compounds. These are aromatic compounds containing only one ring, which is homocyclic. Widely-used sweetening agent. All salts intensely sweet. Permitted in foods at levels of 80-1200 ppm in EU D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents CONFIDENCE standard compound; INTERNAL_ID 8670 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-Homocysteic acid
L-homocysteic acid is a homocysteic acid with L-configuration. It has a role as a NMDA receptor agonist. It is an enantiomer of a D-homocysteic acid. L-Homocysteic acid is a sulfur-containing glutamic acid analog and a potent NMDA receptor agonist. It is related to homocysteine, a by-product of methionine metabolism. It belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Short-term incubation of lymphocytes with homocysteine or its oxidation product homocysteinic acid increased the formation of reactive oxygen species and cell necrosis [HMDB]
Selenohomocysteine
Selenohomocysteine is the precursor of selenocysteine, which is synthesized by catalysis of cystathionine beta-synthase (EC 4.2.1.22) and cystathionine gamma-lyase (EC 4.4.1.1), in mammalian systems (both enzymes require pyridoxal phosphate). Selenohomocysteine (lactone) has been found to be a competitive and irreversible inhibitor of lysyl oxidase; this may relate to the development of connective tissue defects seen in homocystinuria. L-Selenohomocysteine also can serve as a substituent donor in the beta-replacement reaction to yield selenocystathionine. (PMID: 10609891, 9405445, 6456763, 3338973) [HMDB]. Selenohomocysteine is found in many foods, some of which are alaska wild rhubarb, kai-lan, towel gourd, and vanilla. Selenohomocysteine (CAS: 29412-93-9) is the precursor of selenocysteine, which is synthesized by the catalysis of cystathionine beta-synthase (EC 4.2.1.22) and cystathionine gamma-lyase (EC 4.4.1.1) in mammalian systems (both enzymes require pyridoxal phosphate). Selenohomocysteine (lactone) has been found to be a competitive and irreversible inhibitor of lysyl oxidase; this may relate to the development of connective tissue defects seen in homocystinuria. L-Selenohomocysteine also can serve as a substituent donor in the beta-replacement reaction to yield selenocystathionine (PMID: 10609891, 9405445, 6456763, 3338973).
8-Hydroxythioguanine
8-Hydroxythioguanine is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
4-Fluoro-7-nitrobenzofurazan
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Fosmidomycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
2-phospho-D-glycerate
2-phospho-d-glycerate, also known as 2-phosphonatoglyceric acid(3-), belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2-phospho-d-glycerate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-phospho-d-glycerate can be found in a number of food items such as wasabi, sea-buckthornberry, black chokeberry, and sweet potato, which makes 2-phospho-d-glycerate a potential biomarker for the consumption of these food products.
methylselenocysteine
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Se-Methylselenocysteine, a precursor of Methylselenol, has potent cancer chemopreventive activity and anti-oxidant activity. Se-Methylselenocysteine is orally bioavailable, and induces apoptosis[1][2]. Se-Methylselenocysteine, a precursor of Methylselenol, has potent cancer chemopreventive activity and anti-oxidant activity. Se-Methylselenocysteine is orally bioavailable, and induces apoptosis[1][2].
Histamine dihydrochloride
L - Antineoplastic and immunomodulating agents > L03 - Immunostimulants > L03A - Immunostimulants D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists C308 - Immunotherapeutic Agent > C2139 - Immunostimulant Histamine dihydrochloride is an endogenous metabolite. Histamine dihydrochloride is an endogenous metabolite.
saccharin
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS It is used as a food additive . CONFIDENCE standard compound; EAWAG_UCHEM_ID 2816
acephate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3111
Selenomethyl selenocysteine
Selenomethionine is an amino acid containing selenium that cannot be synthesized by higher animals, but can be obtained from plant material. Selenomethionine is the major seleno-compound in cereal grains (wheat grain, maize and rice), soybeans and enriched yeast. Seleno-compounds present in plants may have a profound effect upon the health of animals and human subjects. It is now known that the total Se content cannot be used as an indication of its efficacy, but knowledge of individual selenocompounds is necessary to fully assess the significance. Thus, speciation of the seleno-compounds has moved to the forefront. Since animals and man are dependent upon plants for their nutritional requirements, this makes the types of seleno-compounds in plants even more critical. Se enters the food chain through incorporation into plant proteins, mostly as selenocysteine and selenomethionine at normal Se levels. There are two possible pathways for the catabolism of selenomethionine. One is the transsulfuration pathway via selenocystathionine to produce selenocysteine, which in turn is degraded to H2Se by the enzyme b-lyase. The other pathway is the transamination-decarboxylation pathway. It was estimated that 90\\% of methionine is metabolized through this pathway and thus could be also the major route for selenomethionine catabolism. (PMID: 14748935, Br J Nutr. 2004 Jan;91(1):11-28.); Selenomethionine is an amino acid containing selenium. The L-isomer of selenomethionine, known as Se-met and Sem, is a common natural food source of selenium. In vivo, selenomethionine is randomly incorporated instead of methionine and is readily oxidized. Its antioxidant activity arises from its ability to deplete reactive species. Selenium and sulfur are chalcogen elements that share many chemical properties and the substitution of methionine to selenomethionine may have no effect on protein structure and function. However, the incorporation of selenomethionine into tissue proteins and keratin in horses causes alkali disease. Alkali disease is characterized by emaciation, loss of hair, deformation and shedding of hooves, loss of vitality and erosion of the joints of long bones. Selenomethyl selenocysteine is found in garden onion.
3-chloro-9-methyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
3-AMINO-TETRAHYDRO-THIOPHENE-3-CARBOXYLIC ACID HYDROCHLORIDE
L-AP4
A non-proteinogenc L-alpha-amino acid that is L-alpha-aminobutyric acid in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. It is a potent and selective agonist for the group III metabotropic glutamate receptors (mGluR4/6/7/8).
(1-METHYL-1H-IMIDAZOL-2-YL)METHANAMINE DIHYDROCHLORIDE
2-[(CARBOXYMETHYL)AMINO]PROPANOIC ACID HYDROCHLORIDE
Thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione,2-methyl-
5-chloro-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
6-chloro-2-Methylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
6-hydroxy-2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
2H-PYRIMIDO[1,2-B]PYRIDAZIN-2-ONE, 7-CHLORO-3,4-DIHYDRO-
2-(Methylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole
6H-Purin-6-one,2-amino-1,7,8,9-tetrahydro-8-thioxo-
3-chloro-N-methyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,10-tetraen-5-amine
methyl 2-isocyanatothiophene-3-carboxylate(SALTDATA: FREE)
Betazole Hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D017442 - Histamine Agonists D005765 - Gastrointestinal Agents
4-Thiazolidinecarboxylicacid, methyl ester, hydrochloride (1:1)
3-MERCAPTO-6-METHYL-[1,2,4]TRIAZOLO[4,3-B][1,2,4]TRIAZIN-7-OL
L-Glutamic acid hydrochloride
A - Alimentary tract and metabolism > A09 - Digestives, incl. enzymes > A09A - Digestives, incl. enzymes > A09AB - Acid preparations Dietary supplement, nutrient, flavouring agent and enhancer C78276 - Agent Affecting Digestive System or Metabolism
1-(1H-imidazol-2-yl)-N-methylmethanamine,dihydrochloride
(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanol
4-Methyl-5-(trifluoromethyl)-1,2,4-triazolin-3(2H)-thione
4-chloro-6-methoxy-2-methylpyrimidine-5-carbonitrile
7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
5-chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
3-phosphonato-D-glycerate(3-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Phosphoglycerate(3-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Se-methyl-D-selenocysteine
A D-alpha-amino acid compound having methylselanylmethyl as the side-chain. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
cis,cis-2-Amino-3-(3-oxoprop-1-enyl)but-2-enedioate
5-Hydroxyisouric acid anion
The conjugate base of 5-hydroxyisouric acid.
3,4-Dihydroxymandelate
A hydroxy monocarboxylic acid anion that is the conjugate base of 3,4-dihydroxymandelic acid.
2-(Carboxylatomethyl)-5-oxo-2,5-dihydrofuran-2-ide-3-carboxylate
2,4,5-Trihydroxyphenylacetate
A monocarboxylic acid anion that is the conjugate base of 2,4,5-trihydroxyphenylacetic acid, obtained by deprotonation of the carboxy group; major microspecies at pH 7.3.
5-Nitrosalicylic acid
A monohydroxybenzoic acid in which the hydroxy group is ortho- to the carboxylic acid group and which has a nitro substituent para- to the phenolic hydroxy group.
fosmidomycin
Propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
O-phosphonato-L-serine(2-)
An O-phosphonatooxyserine(2-) that is the conjugate base of O-phospho-L-serine.
Se-methyl-L-selenocysteine zwitterion
Zwitterionic form of Se-methyl-L-selenocysteine.
2,4-dinitrophenol(1-)
A phenolate anion obtained from 2,4-dinitrophenol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-phosphonato-D-glycerate(3-)
An organophosphate oxoanion arising from deprotonation of the carboxy and phosphate OH groups of 3-phospho-D-glyceric acid; major species at pH 7.3.
selenohomocysteine
A selenoamino acid that is the selenium analogue of L-homocysteine.
2-Phosphoglycerate(3-)
A phosphoglycerate obtained by deprotonation of the carboxy and phosphate OH groups of 2-phosphoglyceric acid.
8H-Purin-8-one, 2-amino-1,6,7,9-tetrahydro-6-thioxo-
3-Phosphoglycerate(3-)
Trianion of 3-phosphoglyceric acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3.
O-phosphonatooxyserine(2-)
An organophosphate oxoanion that is the dianionic form of O-phosphoserine having anionic phosphate and carboxy functions and a protonated amino group.
Se-Methyl-L-selenocysteine
An L-alpha-amino acid compound having methylselanylmethyl as the side-chain.
O-phosphonatooxy-D-serine(2-)
An O-phosphonatooxyserine(2-) that is the dianion of O-phospho-D-serine.
Se-Methylselenocysteine
An alpha-amino acid compound having methylselanylmethyl as the side-chain.
cis,cis-2-Amino-3-(3-oxoprop-1-enyl)but-2-enedioate
The cis,cis-isomer of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate.
2-phosphonato-D-glycerate(3-)
An organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 2-phospho-D-glyceric acid; major species at pH 7.3.
L-selenohomocysteine zwitterion
An L-alpha-amino acid zwitterion obtained from L-selenohomocysteine by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.
