Exact Mass: 183.01024700000002
Exact Mass Matches: 183.01024700000002
Found 500 metabolites which its exact mass value is equals to given mass value 183.01024700000002
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Se-Methylselenocysteine
C4H9NO2Se (182.97984639999999)
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].
Pyridoxate
4-Pyridoxic acid is a member of the class of compounds known as methylpyridines. More specifically it is a 2-methylpyridine derivative substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. 4-Pyridoxic acid is the catabolic product of vitamin B6 (also known as pyridoxine, pyridoxal and pyradoxamine) and is excreted in the urine. Urinary levels of 4-pyridoxic acid are lower in females than in males and will be reduced even further in persons with a riboflavin deficiency. 4-Pyridoxic acid is formed by the action of aldehyde oxidase I (an endogenous enzyme) and by microbial enzymes (pyridoxal 4-dehydrogenase), an NAD-dependent aldehyde dehydrogenase. 4-pyridoxic acid can be further broken down by the gut microflora via the enzyme known as 4-pyridoxic acid dehydrogenase. This enzyme catalyzes the four-electron oxidation of 4-pyridoxic acid to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate, using nicotinamide adenine dinucleotide (NAD) as a cofactor. 4-Pyridoxic acid is the catabolic product of vitamin B6 (also known as pyridoxine, pyridoxal and pyradoxamine) which is excreted in the urine. Urinary levels of 4-pyridoxic acid are lower in females than in males and will be reduced in persons with riboflavin deficiency. 4-Pyridoxic acid is formed by the action of aldehyde oxidase I (an endogenous enzyme) and by microbial enzymes (pyridoxal 4-dehydrogenase), an NAD-dependent aldehyde dehydrogenase. 4-pyridoxic acid can be further broken down by the gut microflora via 4-pyridoxic acid dehydrogenase. This enzyme catalyzes the four electron oxidation of 4-pyridoxic acid to 3-hydroxy-2-methylpyridine-4,5-dicarboxylate, using nicotinamide adenine dinucleotide as a cofactor. [HMDB] Vitamin B6 is one of the B vitamins, and thus an essential nutrient.[1][2][3][4] The term refers to a group of six chemically similar compounds, i.e., "vitamers", which can be interconverted in biological systems. Its active form, pyridoxal 5′-phosphate, serves as a coenzyme in more than 140 enzyme reactions in amino acid, glucose, and lipid metabolism.[1][2][3] Plants synthesize pyridoxine as a means of protection from the UV-B radiation found in sunlight[5] and for the role it plays in the synthesis of chlorophyll.[6] Animals cannot synthesize any of the various forms of the vitamin, and hence must obtain it via diet, either of plants, or of other animals. There is some absorption of the vitamin produced by intestinal bacteria, but this is not sufficient to meet dietary needs. For adult humans, recommendations from various countries' food regulatory agencies are in the range of 1.0 to 2.0 milligrams (mg) per day. These same agencies also recognize ill effects from intakes that are too high, and so set safe upper limits, ranging from as low as 25 mg/day to as high as 100 mg/day depending on the country. Beef, pork, fowl and fish are generally good sources; dairy, eggs, mollusks and crustaceans also contain vitamin B6, but at lower levels. There is enough in a wide variety of plant foods so that a vegetarian or vegan diet does not put consumers at risk for deficiency.[7] Dietary deficiency is rare. Classic clinical symptoms include rash and inflammation around the mouth and eyes, plus neurological effects that include drowsiness and peripheral neuropathy affecting sensory and motor nerves in the hands and feet. In addition to dietary shortfall, deficiency can be the result of anti-vitamin drugs. There are also rare genetic defects that can trigger vitamin B6 deficiency-dependent epileptic seizures in infants. These are responsive to pyridoxal 5'-phosphate therapy.[8] 4-Pyridoxic acid is a catabolic product of vitamin B6 which is excreted in the urine.
(RS)-3,5-DHPG
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists DHPG ((RS)-3,5-DHPG) is an amino acid, which acts as a selective and potent agonist of group I mGluR (mGluR 1 and mGluR 5), shows no effect on Group II or Group III mGluRs[1]. DHPG ((RS)-3,5-DHPG) is also an effective antagonist of mGluRs linked to phospholipase D[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]
3-Carboxy-4-methoxy-N-methyl-2-pyridone
Selenohomocysteine
C4H9NO2Se (182.97984639999999)
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)
3,5-Dihydroxyphenylglycine
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists DHPG ((RS)-3,5-DHPG) is an amino acid, which acts as a selective and potent agonist of group I mGluR (mGluR 1 and mGluR 5), shows no effect on Group II or Group III mGluRs[1]. DHPG ((RS)-3,5-DHPG) is also an effective antagonist of mGluRs linked to phospholipase D[2].
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
Oxisuran
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
triazolobenzodiazepine
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.
4-Pyridoxic acid
4-Pyridoxic acid is a catabolic product of vitamin B6 which is excreted in the urine.
methylselenocysteine
C4H9NO2Se (182.97984639999999)
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.
(+)-(R)-2-methyl-7,8-dihydropyrano[4,3-b][1,4]oxazine-3,5-(2H,4H)-dione
3-(Acetylamino)-5-hydroxy-7-oxabicyclo[4.1.0]hepta-3-ene-2-one
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
4-Pyridoxate
4-Pyridoxic acid is a catabolic product of vitamin B6 which is excreted in the urine.
acephate
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 3111
4-Pyridoxic acid
A methylpyridine that is 2-methylpyridine substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. It is the catabolic product of vitamin B6 and is excreted in the urine. 4-Pyridoxic acid is a catabolic product of vitamin B6 which is excreted in the urine.
N-Acetyl-3-chloro-4-methylaniline
CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4312; ORIGINAL_PRECURSOR_SCAN_NO 4309 ORIGINAL_ACQUISITION_NO 4312; CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4309 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4341; ORIGINAL_PRECURSOR_SCAN_NO 4338 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4316; ORIGINAL_PRECURSOR_SCAN_NO 4312 INTERNAL_ID 410; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4387 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4387 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4314; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8630; ORIGINAL_PRECURSOR_SCAN_NO 8626 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8655; ORIGINAL_PRECURSOR_SCAN_NO 8651 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8662; ORIGINAL_PRECURSOR_SCAN_NO 8659 CONFIDENCE standard compound; INTERNAL_ID 410; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8631; ORIGINAL_PRECURSOR_SCAN_NO 8627
Selenomethyl selenocysteine
C4H9NO2Se (182.97984639999999)
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.
Methyl 2-cyano-2-(3-tetrahydrothienylidene) acetate
3-chloro-9-methyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
2-(carboxymethyl)-1-methyl-pyrrole-3-carboxylic acid
(1H-Benzo[d]imidazol-2-yl)methanamine hydrochloride
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).
4-methylamino-2-methylsulfanyl-pyrimidine-5-carbaldehyde
BENZONITRILE, 3-CHLORO-4-HYDROXY-5-METHOXY-
C8H6ClNO2 (183.00870460000002)
(1-METHYL-1H-IMIDAZOL-2-YL)METHANAMINE DIHYDROCHLORIDE
2-[(CARBOXYMETHYL)AMINO]PROPANOIC ACID HYDROCHLORIDE
(2E)-3-(6-Chloro-3-pyridinyl)acrylic acid
C8H6ClNO2 (183.00870460000002)
1-(2-Chlorophenyl)-2-nitroethylene
C8H6ClNO2 (183.00870460000002)
Thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione,2-methyl-
C6H5N3O2S (183.01024700000002)
2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-dioxide
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
C6H5N3O2S (183.01024700000002)
trans-4-Fluoro-L-proline methyl ester hydrochloride
2H-PYRIMIDO[1,2-B]PYRIDAZIN-2-ONE, 7-CHLORO-3,4-DIHYDRO-
2-(Methylamino)-5-(trifluoromethyl)-1,3,4-thiadiazole
4-AMINO-6-METHYL-2-(METHYLSULFANYL)PYRIMIDINE-5-CARBALDEHYDE
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
3-Pyridinecarboxylic acid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, methyl ester
methyl 2-isocyanatothiophene-3-carboxylate(SALTDATA: FREE)
4-Fluoro-4-piperidinecarboxylic Acid Hydrochloride
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
5-CHLORO-6-METHYLBENZO[D]OXAZOL-2(3H)-ONE
C8H6ClNO2 (183.00870460000002)
4,5,6,7-Tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
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
3-[(5-amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]propanenitrile
(S)-3,5-DHPG
A glycine derivative that is L-alpha-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups. (S)-3,5-DHPG is a weak, but selective group I metabotropic glutamate receptors (mGluRs) agonist with Ki values of 0.9 μM and 3.9 μM for mGluR1a and mGluR5a, respectively[1]. (S)-3,5-DHPG exhibits anxiolytic activity in rats subjected to hypoxia[2]. DHPG ((RS)-3,5-DHPG) is an amino acid, which acts as a selective and potent agonist of group I mGluR (mGluR 1 and mGluR 5), shows no effect on Group II or Group III mGluRs[1]. DHPG ((RS)-3,5-DHPG) is also an effective antagonist of mGluRs linked to phospholipase D[2].
4-Methyl-5-(trifluoromethyl)-1,2,4-triazolin-3(2H)-thione
7-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one
C8H6ClNO2 (183.00870460000002)
6-chloro-2h-1,4-benzoxazin-3(4h)-one
C8H6ClNO2 (183.00870460000002)
4-CHLORO-6-FLUOROPYRIDO[3,4-D]PYRIMIDINE
C7H3ClFN3 (182.99995199999998)
4-chloro-7-fluoropyrido[4,3-d]pyrimidine
C7H3ClFN3 (182.99995199999998)
3-CHLORO-4-METHOXYPHENYL ISOCYANATE
C8H6ClNO2 (183.00870460000002)
3-(CHLOROMETHYL)-5-(2-FURYL)ISOXAZOLE
C8H6ClNO2 (183.00870460000002)
4-chloro-6-methoxy-2-methylpyrimidine-5-carbonitrile
1-(2,2-Difluoroethyl)-1H-pyrazol-4-amine hydrochloride
C5H8ClF2N3 (183.03747819999998)
7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
(2-CHLORO-PHENYL)-OXO-ACETALDEHYDE OXIME
C8H6ClNO2 (183.00870460000002)
5-chloro-2-methoxyphenyl isocyanate
C8H6ClNO2 (183.00870460000002)
DL-AP4
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
1H-Inden-1-one,2-amino-2,3-dihydro-, hydrochloride (1:1)
5-chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
7-Amino-1,3,6,8-tetraazaspiro[4.4]non-6-ene-2,4,9-trione
Oxisuran
C308 - Immunotherapeutic Agent > C574 - Immunosuppressant
(2R)-2-ammonio-3-(methylselanyl)propanoate
C4H9NO2Se (182.97984639999999)
3-phosphonato-D-glycerate(3-)
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2-Phosphoglycerate(3-)
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Se-methyl-D-selenocysteine
C4H9NO2Se (182.97984639999999)
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
1-[(E)-furan-2-ylmethylideneamino]-3-methylthiourea
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.
4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
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
C4H9NO2Se (182.97984639999999)
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
C4H9NO2Se (182.97984639999999)
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
C4H9NO2Se (182.97984639999999)
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
C4H9NO2Se (182.97984639999999)
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.
5-Pyridoxic acid
A pyridinemonocarboxylic acid that is pyridine-3-carboxylic acid substituted by a hydroxy group at position 5, hydroxy methyl group at position 4 and a methyl group at position 6.
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.
(S)-3,5-dihydroxyphenylglycine zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of (S)-3,5-dihydroxyphenylglycine.
L-selenohomocysteine zwitterion
C4H9NO2Se (182.97984639999999)
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.
MIRA-1
MIRA-1 is a maleimide analogue. MIRA-1 can induce apoptosis in mutant p53 cells via restoration of p53-dependent transcriptional transactivation. MIRA-1 has anticancer activity[1].