Exact Mass: 169.0964
Exact Mass Matches: 169.0964
Found 500 metabolites which its exact mass value is equals to given mass value 169.0964,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Methylhistidine
1-Methylhistidine, also known as 1-MHis or 1MH, belongs to the class of organic compounds known as histidine and derivatives. 1MH is also classified as a methylamino acid. Methylamino acids are primarily proteogenic amino acids (found in proteins) which have been methylated (in situ) on their side chains by various methyltransferase enzymes. Histidine can be methylated at either the N1 or N3 position of its imidazole ring, yielding the isomers 1-methylhistidine (1MH; also referred to as pi-methylhistidine) or 3-methylhistidine (3MH; tau-methylhistidine), respectively. There is considerable confusion with regard to the nomenclature of the methylated nitrogen atoms on the imidazole ring of histidine and other histidine-containing peptides such as anserine. In particular, older literature (mostly prior to the year 2000) designated anserine (Npi methylated) as beta-alanyl-N1-methyl-histidine, whereas according to standard IUPAC nomenclature, anserine is correctly named as beta-alanyl-N3-methyl-histidine. As a result, many papers published prior to the year 2000 incorrectly identified 1MH as a specific marker for dietary consumption or various pathophysiological effects when they really were referring to 3MH (PMID: 24137022). Recent discoveries have shown that 1MH is produced in essentially all mammals (and other vertebrates) via the enzyme known as METTL9 (PMID: 33563959). METTL9 is a broad-specificity methyltransferase that mediates the formation of the majority of 1MH present in mammalian proteomes. METTL9-catalyzed methylation requires a His-x-His (HxH) motif, where "x" is a small amino acid. This HxH motif is found in a number of abundant mammalian proteins such as ARMC6, S100A9, and NDUFB3 (PMID: 33563959). Because of its abundance in many muscle-related proteins, 1MH has been found to be a good biomarker for the consumption of meat (PMID: 21527577). Dietary studies have shown that poultry consumption (p-trend = 0.0006) and chicken consumption (p-trend = 0.0003) are associated with increased levels of 1MH in human plasma (PMID: 30018457). The consumption of fish, especially salmon and cod, has also been shown to increase the levels of 1MH in serum and urine (PMID: 31401679). As a general rule, urinary 1MH is associated with white meat intake (p< 0.001), whereas urinary 3MH is associated with red meat intake (p< 0.001) (PMID: 34091671). 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
Norepinephrine
Norepinephrine is the precursor of epinephrine that is secreted by the adrenal medulla and is a widespread central and autonomic neurotransmitter. Norepinephrine is the principal transmitter of most postganglionic sympathetic fibers and of the diffuse projection system in the brain arising from the locus ceruleus. It is also found in plants and is used pharmacologically as a sympathomimetic. Norepinephrine is elevated in the urine of people who consume bananas. Norepinephrine is also a microbial metabolite; urinary noradrenaline is produced by Escherichia, Bacillus, and Saccharomyces (PMID: 24621061). Norepinephrine is found in alcoholic beverages, banana peels and pulp (Musa paradisiaca), red plum fruit (Prunus domestica), orange pulp (Citrus sinensis), potato tubers (Solanum tuberosum), and whole purslane (Portulaca oleracea). P. oleracea is the richest of these sources. Norepinephrine has also been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Present in banana peel and pulp (Musa paradisiaca), red plum fruit (Prunus domestica), orange pulp (Citrus sinensis), potato tubers (Solanum tuberosum) and whole purslane (Portulaca oleracea). P. oleracea is the richest of these sources. xi-Norepinephrine is found in many foods, some of which are potato, green vegetables, alcoholic beverages, and fruits.
Pyridoxine
Pyridoxine, also known vitamin B6, is commonly found in food and is used as a dietary supplement. Pyridoxine is an essential nutrient, meaning the body cannot synthesize it, and it must be obtained from the diet. Sources in the diet include fruit, vegetables, and grain. Although pyridoxine and vitamin B6 are still frequently used as synonyms, especially by medical researchers, this practice is sometimes misleading (PMID: 2192605). Technically, pyridoxine is one of the compounds that can be called vitamin B6 or it is a member of the family of B6 vitamins. Healthy human blood levels of pyridoxine are 2.1 - 21.7 ng/mL. Pyridoxine is readily converted to pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids and aminolevulinic acid. Pyridoxine assists in the balancing of sodium and potassium as well as promoting red blood cell production. Therefore pyridoxine is required by the body to make amino acids, carbohydrates, and lipids. It is linked to cancer immunity and helps fight the formation of homocysteine. It has been suggested that pyridoxine might help children with learning difficulties, and may also prevent dandruff, eczema, and psoriasis. In addition, pyridoxine can help balance hormonal changes in women and aid in immune system. Lack of pyridoxine may cause anemia, nerve damage, seizures, skin problems, and sores in the mouth (Wikipedia). Deficiency of pyridoxine, though rare because of widespread distribution in foods, leads to the development of peripheral neuritis in adults and affects the central nervous system in children (DOSE - 3rd edition). As a supplement pyridoxine is used to treat and prevent pyridoxine deficiency, sideroblastic anaemia, pyridoxine-dependent epilepsy, certain metabolic disorders, problems from isoniazid, and certain types of mushroom poisoning. Pyridoxine in combination with doxylamine is used as a treatment for morning sickness in pregnant women. Found in rice husks, cane molasses, yeast, wheat germ and cod liver oils. Vitamin, dietary supplement, nutrient. Pyridoxine is one of the compounds that can be called vitamin B6, along with pyridoxal and pyridoxamine. It differs from pyridoxamine by the substituent at the 4 position. It is often used as pyridoxine hydrochloride. Pyridoxine in the urine is a biomarker for the consumption of soy products. Acquisition and generation of the data is financially supported in part by CREST/JST. A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map KEIO_ID P053 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway. Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.
Diphenylamine
Diphenylamine is found in coriander. Diphenylamine is used for control of superficial scald in stored apples Diphenylamine is the organic compound with the formula (C6H5)2NH. It is a colourless solid, but samples are often yellow due to oxidized impurities. It is a weak base, with a KB of 10 14. With strong acids, it forms the water soluble salt CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9465; ORIGINAL_PRECURSOR_SCAN_NO 9462 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9425; ORIGINAL_PRECURSOR_SCAN_NO 9420 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9472; ORIGINAL_PRECURSOR_SCAN_NO 9471 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9455; ORIGINAL_PRECURSOR_SCAN_NO 9451 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9493; ORIGINAL_PRECURSOR_SCAN_NO 9490 CONFIDENCE standard compound; INTERNAL_ID 300; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9495; ORIGINAL_PRECURSOR_SCAN_NO 9492 It is used for control of superficial scald in stored apples CONFIDENCE standard compound; EAWAG_UCHEM_ID 3092 CONFIDENCE standard compound; INTERNAL_ID 8086 KEIO_ID D044
4-Aminobiphenyl
4-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen and so it has been largely replaced by less toxic compounds. It is similar to benzidine. [HMDB] 4-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen and so it has been largely replaced by less toxic compounds. It is similar to benzidine. D009676 - Noxae > D002273 - Carcinogens
3,3-Diethyl-2,4-dioxopiperidine
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent
3-Methylhistidine
3-Methylhistidine, also known as 3-MHis or 3MH, belongs to the class of organic compounds known as histidine and derivatives. 3MH is also classified as a methylamino acid. Methylamino acids are primarily proteogenic amino acids (found in proteins) which have been methylated (in situ) on their side chains by various methyltransferase enzymes. 3-Methylhistidine is also classified as a member of the class of compounds known as L-alpha-amino acids. L-alpha-Amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Amino acids are organic compounds that contain amino (–NH2) and carboxyl (–COOH) functional groups, along with a side chain (R group) specific to each amino acid. 3-Methylhistidine is generated from histidine residues found in proteins. Histidine can be methylated at either the N1 or N3 position of its imidazole ring, yielding the isomers 1-methylhistidine (1MH; also referred to as pi-methylhistidine) or 3-methylhistidine (3MH; tau-methylhistidine), respectively. There is considerable confusion with regard to the nomenclature of the methylated nitrogen atoms on the imidazole ring of histidine and other histidine-containing peptides such as anserine. In particular, older literature (mostly prior to the year 2000) designated anserine (Npi methylated) as beta-alanyl-N1-methyl-histidine, whereas according to standard IUPAC nomenclature, anserine is correctly named as beta-alanyl-N3-methyl-histidine. As a result, many papers published prior to the year 2000 incorrectly identified 1MH as a specific marker for dietary consumption or various pathophysiological effects when they really were referring to 3MH (PMID: 24137022). Histidine methylation on the 3- or tau site is mediated by the enzyme known as METTL18. METTL18 is a nuclear methyltransferase protein that contains a functional nuclear localization signal and accumulates in nucleoli. Urinary concentrations of 3-methylhistidine can be used as a biomarker for skeletal muscle protein breakdown in humans who have been subject to muscle injury (PMID: 16079625). 3-methylhistidine is formed by the posttranslational methylation of histidine residues of the main myofibrillar proteins actin and myosin. During protein catabolism, 3-methylhistidine is released but cannot be reutilized. Therefore, the plasma concentration and urine excretion of 3-methylhistidine are sensitive markers of myofibrillar protein degradation (PMID: 32235743). Approximately 75\\\% of 3-methylhistidine is estimated to originate from skeletal muscle (PMID: 32235743). In addition to the degradation of muscle proteins, the 3-methylhistidine level is affected by the degradation of intestinal proteins and meat intake. 3-Methylhistidine exists in all eukaryotes, ranging from yeast to humans. In humans, 3-methylhistidine is involved in methylhistidine metabolism. 3-Methylhistidine has been found to be associated with several diseases such as diabetes mellitus type 2, eosinophilic esophagitis, and kidney disease. The normal concentration of 3-methylhistidine in the urine of healthy adult humans has been detected and quantified in a range of 3.63–69.27 micromoles per millimole (umol/mmol) of creatinine, with most studies reporting the average urinary concentration between 15–20 umol/mmol of creatinine. The average concentration of 3-methylhistidine in human blood plasma has been detected and quantified at 2.85 micromolar (uM) with a range of 0.0–5.9 uM. As a general rule, urinary 1MH is associated with white meat intake (p< 0.001), whereas urinary 3MH is associated with red meat intake (p< 0.001) (PMID: 34091671). 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
6-Hydroxydopamine
6-Hydroxydopamine, also known as 6-OHDA or oxidopamina, belongs to the class of organic compounds known as catecholamines and derivatives. Catecholamines and derivatives are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution. The main use for oxidopamine in scientific research is to induce Parkinsonism in laboratory animals such as mice, rats and monkeys, in order to develop and test new medicines and treatments for Parkinsons disease. In order to induce this condition in animals, around 70\\% of the dopaminergic neurons in the substantia nigra of the brain must be destroyed, and this is achieved either with oxidopamine or MPTP. 6-OHDA is thought to enter the neurons via the dopamine and noradrenaline (norepinephrine) reuptake transporters. Oxidopamine toxicity in neonatal rodents is also used as an animal model for the Lesch-Nyhan syndrome. Both these agents likely destroy neurons by generating reactive oxygen species such as superoxide radical. Oxidopamine is often used in conjunction with a selective noradrenaline reuptake inhibitor (such as desipramine) to selectively destroy dopaminergic neurons. 6-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinsons patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370) D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
Homoarecoline
Homoarecoline is found in nuts. Homoarecoline is isolated from betel nuts. Isolated from betel nuts. Homoarecoline is found in nuts.
5-Ethyl-4-methyl-2-(1-methylethyl)thiazole
5-Ethyl-4-methyl-2-(1-methylethyl)thiazole is found in animal foods. 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole is a volatile flavour component of boiled potatoes and cooked beef. Volatile flavour component of boiled potatoes and cooked beef. 5-Ethyl-4-methyl-2-(1-methylethyl)thiazole is found in animal foods and potato.
5-Hydroxydopamine
5-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinsons patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370) [HMDB] 5-Hydroxydopamine is a naturally occurring amine in human urine. 5-Hydroxydopamine concentration in urine of DOPA treated Parkinsons patients was significantly higher than inpatients not treated or normal controls. (PMID 8255370).
6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone
6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone is a minor product from the Maillard reaction of xylose and glycin Minor product from the Maillard reaction of xylose and glycine
4-Butyl-5-ethylthiazole
Bell-pepper aroma; claimed food uses not well documented. Bell-pepper aroma; claimed food uses not well documented
5-Butyl-4-ethylthiazole
Bell-pepper aroma; claimed food uses not well documented. Bell-pepper aroma; claimed food uses not well documented
4-Butyl-2,5-dimethylthiazole
4-Butyl-2,5-dimethylthiazole is found in animal foods. 4-Butyl-2,5-dimethylthiazole is a volatile flavour component of fried chicken, roast peanuts and baked potato. Volatile flavour component of fried chicken, roast peanuts and baked potato. 4-Butyl-2,5-dimethylthiazole is found in animal foods, nuts, and potato.
4-Ethyl-2-methyl-5-propylthiazole
4-Ethyl-2-methyl-5-propylthiazole is found in animal foods. 4-Ethyl-2-methyl-5-propylthiazole is a volatile flavour component of roasted peanuts and roast beef. Volatile flavour component of roasted peanuts and roast beef. 4-Ethyl-2-methyl-5-propylthiazole is found in animal foods and nuts.
5-Ethyl-2-methyl-4-propylthiazole
5-Ethyl-2-methyl-4-propylthiazole is found in animal foods. 5-Ethyl-2-methyl-4-propylthiazole is a volatile flavour component of roast beef. Volatile flavour component of roast beef. 5-Ethyl-2-methyl-4-propylthiazole is found in animal foods.
4-Ethyl-5-methyl-2-propylthiazole
4-ethyl-5-methyl-2-propylthiazole is found in animal foods. 4-ethyl-5-methyl-2-propylthiazole is a volatile flavour component of roast beef. Volatile flavour component of roast beef. 4-ethyl-5-methyl-2-propylthiazole is found in animal foods.
5-Ethyl-4-methyl-2-propylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
4-Ethyl-5-methyl-2-(1-methylethyl)thiazole
4-Ethyl-5-methyl-2-(1-methylethyl)thiazole is found in animal foods. 4-Ethyl-5-methyl-2-(1-methylethyl)thiazole is a volatile component of fried chicken, roast peanut and yeast extract. Volatile component of fried chicken, roast peanut and yeast extract. 4-Ethyl-5-methyl-2-(1-methylethyl)thiazole is found in mushrooms, animal foods, and nuts.
2,5-Dipropylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
5-Methyl-2-pentylthiazole
5-Methyl-2-pentylthiazole is found in animal foods. 5-Methyl-2-pentylthiazole is a volatile flavour component of roast beef. Volatile flavour component of roast beef. 5-Methyl-2-pentylthiazole is found in animal foods.
4-Methyl-2-pentylthiazole
4-Methyl-2-pentylthiazole is classified as a Natural Food Constituent (code WA) in the DFC. Classified as a Natural Food Constituent (code WA) in the DFC
2,4-Dipropylthiazole
Claimed food uses are not well documented. Claimed food uses are not well documented
2-(1-Methylethyl)-4-propylthiazole
2-(1-Methylethyl)-4-propylthiazole is found in nuts. 2-(1-Methylethyl)-4-propylthiazole is a component of roast peanut flavour. Component of roast peanut flavour. 2-(1-Methylethyl)-4-propylthiazole is found in nuts.
Pyridoxaminium(1+)
Pyridoxaminium(1+) is also known as Pyridoxamine or Pyridoxaminium cation. Pyridoxaminium(1+) is considered to be soluble (in water) and acidic
Ipronidazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
2-Methyl-5-phenylpyridine
2-methyl-5-phenylpyridine is a member of the class of compounds known as phenylpyridines. Phenylpyridines are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. 2-methyl-5-phenylpyridine can be found in sweet orange, which makes 2-methyl-5-phenylpyridine a potential biomarker for the consumption of this food product.
2-butyl-4-hydroxy-5-methyl-3(2H)-furanone
2-butyl-4-hydroxy-5-methyl-3(2h)-furanone is also known as bhmf or 2,5-bis(hydroxymethyl)furan. 2-butyl-4-hydroxy-5-methyl-3(2h)-furanone is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-butyl-4-hydroxy-5-methyl-3(2h)-furanone can be found in a number of food items such as common pea, rye, other bread, and fruits, which makes 2-butyl-4-hydroxy-5-methyl-3(2h)-furanone a potential biomarker for the consumption of these food products.
L-3-Methylhistidine
3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
3-Methylhistidine
A methylhistidine in which the methyl group is located at N-3. 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
IPRONIDAZOLE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
p-CHLOROAMPHETAMINE
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents
Atrazine-desethyl-2-hydroxy
A diamino-1,3,5-triazine that is N-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide atrazine. CONFIDENCE standard compound; EAWAG_UCHEM_ID 277 CONFIDENCE standard compound; INTERNAL_ID 2023
alpha-METHYL-DL-HISTIDINE
Acquisition and generation of the data is financially supported in part by CREST/JST.
Diacetoneacrylamide
CONFIDENCE standard compound; INTERNAL_ID 493; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5892; ORIGINAL_PRECURSOR_SCAN_NO 5888 CONFIDENCE standard compound; INTERNAL_ID 493; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5924; ORIGINAL_PRECURSOR_SCAN_NO 5922 CONFIDENCE standard compound; INTERNAL_ID 493; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5925; ORIGINAL_PRECURSOR_SCAN_NO 5923 DATASET 20200303_ENTACT_RP_MIX506; CONFIDENCE standard compound; INTERNAL_ID 493; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5947; ORIGINAL_PRECURSOR_SCAN_NO 5945 CONFIDENCE standard compound; INTERNAL_ID 493; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5947; ORIGINAL_PRECURSOR_SCAN_NO 5945 CONFIDENCE standard compound; INTERNAL_ID 493; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5961; ORIGINAL_PRECURSOR_SCAN_NO 5958 CONFIDENCE standard compound; INTERNAL_ID 493; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5955; ORIGINAL_PRECURSOR_SCAN_NO 5953 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1091
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
2,3,5,7a-Tetrahydro-7-(methoxymethyl)-1H-pyrrolizine-1-ol
5-hydroxy-5-(hydroxymethyl)-4-methyl-3-vinyl-1H-pyrrol-2(5H)-one|chushizilactam A
6b-(methoxymethyl)hexahydro-2h-oxireno[a]pyrrolizine
1-(2,3-epoxy-1-hydroxy-3-isocyano-cyclopent-4-enyl)ethanol
aceclidine
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EB - Parasympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010277 - Parasympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D008916 - Miotics C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist Aceclidine (Quinuclidin-3-yl acetate) is a modulator of M3 muscarinic acetylcholine receptor and a M1 receptor agonist (EC50: 40 μM). Aceclidine is a cycloplegic agent, a surfactant, a tonicity adjustor and optionally a viscosity enhancer and an antioxidant. Aceclidine has the potential for the research of disorders such as refractive errors of the eye, xerostomia, Sjogren's syndrome, glaucoma, conjunctivitis, lacrimal gland disease, and esotropia[1][2][3].
D-3-Methylhistidine
KEIO_ID M077 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
Pyridoxine
A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway. Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.
1-Methyl-L-histidine
1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
3-Methyl-L-histidine
A L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring. 3-Methylhistidine is a product of peptide bond synthesis and methylation of actin and myosin. The measurement of 3-Methylhistidine provides an index of the rate of muscle protein breakdown. [HMDB]. 3-Methylhistidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products. 3-Methyl-L-histidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
Norepinephrine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C78274 - Agent Affecting Cardiovascular System > C126567 - Vasopressor C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
1-Methylhistidine
A methylhistidine in which the methyl group is located at N-1. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
alpha-Methylhistidine
A non-proteinogenic alpha-amino acid that is histidine in which the methyl group is located at the Calpha-position.
Noradrenaline
A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted.
6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone
1H-Imidazole-4-carboxylicacid,5-[(dimethylamino)methyl]-(9CI)
Ethanaminium, 2-hydroxy-N- (2-hydroxyethyl)-N,N-dimethyl-, chloride
(2S,3AS,7AS)-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
(2R,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
5-cyclopentyl-1,3,4-thiadiazol-2-amine(SALTDATA: FREE)
1H,3H-Pyrrolo[1,2-c]oxazole-1,3-dione,5-ethyltetrahydro-,(5R-trans)-(9CI)
1H-Imidazole-4-carboxylicacid,5-(2-aminoethyl)-,methylester(9CI)
3-acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one
methyl 1-(cyclopropylmethyl)azetidine-3-carboxylate
Carbamic acid, (1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)-
1H-Imidazole-4-carboxylicacid,2-(aminomethyl)-1,5-dimethyl-(9CI)
N-Hydroxy-1-azabicyclo[2.2.2]octane-3-carboximidamide
(S,E)-1-(BUT-1-EN-1-YL)-5-(HYDROXYMETHYL)PYRROLIDIN-2-ONE
3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
1H-Isoindole-1,3(2H)-dione, hexahydro-2-hydroxy-, (3aR,7aS)-rel-
5-(2-aminoethyl)-6-hydroxy-1-methylpyrimidin-2(1H)-one
5-(4-morpholinyl)-1H-1,2,4-triazol-3-amine(SALTDATA: FREE)
(+)-(6R)-2,6-diamino-4,5,6,7-tetrahydrobenzothiazole
Thiazolo[4,5-c]pyridin-2-amine, 4,5,6,7-tetrahydro-5-methyl- (9CI)
1H-Imidazole-5-carboxylic acid,4-(2-aminoethyl)-2-methyl-
(6R)-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Methyl (3aR,6aS)-3a,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-6a(3H) -carboxylate
6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPINE-3-THIOL
Cyclopropanamine, 1-phenyl-, labeled with carbon-14, hydrochloride (9CI)
4-(aminomethyl)-2,5-dimethylfuran-3-carboxylic acid
1-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine(SALTDATA: FREE)
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-C]PYRIDIN-2-AMINE
1H-Furo[3,4-b]pyrrole-2,6(3H,6aH)-dione,dihydro-1,4-dimethyl-,(3a-alpha-,4-alpha-,6a-alpha-)-(9CI)
(S)-4-(TERT-BUTOXYCARBONYL)MORPHOLINE-2-CARBOXYLICACID
O-(2-Trimethylsilylethyl)hydroxylamine Hydrochloride
1H-PYRAZOLE-4-CARBOXYLICACID, 3-AMINO-5-METHYL-, ETHYL ESTER
Pyrrolo[1,2-a]pyrazine-2(1H)-carboxamide, hexahydro- (9CI)
2-(R)-3,6-DIHYDRO-2H-PYRAN-3-YL-N,N-DIMETHYL-ACETAMIDE
Carbamic acid, 2,3-butadienyl-, 1,1-dimethylethyl ester (9CI)
2,3-DIMETHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE
2-Azabicyclo[2.2.1]heptane-3-carboxylicacid,ethylester,(1R,3S,4S)-(9CI)
L-Proline, 5-(2-propenyl)-, methyl ester, (5R)- (9CI)
4(3H)-Pyrimidinethione,2-(dimethylamino)-3-methyl-
1-Azabicyclo[2.2.1]heptane-2-carboxylic acid, ethyl ester, (1R,2S,4R)-rel-
[R-(R*,S*)]-alpha-(1-Aminoethyl)-4-fluorobenzenemethanol
ETHYL 1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE-4-CARBOXYLATE
5-AMINO-1-METHYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
2,4(1H,3H)-Pyrimidinedione,1,3-dimethyl-6-(methylamino)-
Histidine methyl ester
An alpha-amino acid ester that is the methyl ester of histidine.
2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid
2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
oxidopamine
A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinsons disease). D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
Pyridoxin
A - Alimentary tract and metabolism > A11 - Vitamins D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway. Pyridoxine (Pyridoxol) is a pyridine derivative. Pyridoxine exerts antioxidant effects in cell model of Alzheimer's disease via the Nrf-2/HO-1 pathway.
L-1-Methylhistidine
Protein metabolite; formed mainly by methylation of histidine residues in muscle actin and myosin. Urinary excretion levels used as an index of muscle protein breakdown. 1-Methylhistidine is a biomarker for the consumption of meat, especially red meat. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake. 1-Methyl-L-histidine is an objective indicator of meat ingestion and exogenous 3-methylhistidine (3MH) intake.
2-amino-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
Pyridoxaminium(1+)
An ammonium ion that is the conjugate acid of pyridoxamine arising from selective protonation of the primary amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S)-3-(1H-imidazol-4-yl)-2-(methylazaniumyl)propanoate
(2E)-Decenoate
An unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of trans-2-decenoic acid. The major species at pH 7.3.
(2S)-2-amino-3-[(1S)-cyclohex-2-en-1-yl]propanoic acid
Dec-9-enoate
A medium-chain, unsaturated, straight-chain fatty acid anion and the conjugate base of dec-9-enoic acid (caproleic acid), arising from deprotonation of the carboxylic acid group.
2-azaniumyl-3-(1-methyl-1H-imidazol-4-yl)propanoate
cis-Obtusilate
A medium-chain fatty acid anion and the conjugate base of obtusilic acid, arising from deprotonation of the carboxylic acid group.
2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate
N(tele)-methyl-L-histidine
A L-histidine derivative in which the methyl group is at N(tele)-position.
alpha-methyl-L-histidine
An alpha-methylhistidine that has L-configuration.
ETHYL 1-METHYL-1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXYLATE
3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid
3-methylhistidine zwitterion
An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-methylhistidine; major species at pH 7.3.
N(alpha)-methyl-L-histidine zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(alpha)-methyl-L-histidine.
(S)-citronellate
A monounsaturated fatty acid anion that is the conjugate base of (S)-citronellic acid, arising from the deprotonation of the carboxy group.
1-methylhistidine zwitterion
An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 1-methylhistidine; major species at pH 7.3.
N(alpha)-methyl-L-histidine
A N(alpha)-methyl-L-histidines that is L-histidine bearing a single methyl substituent at the N(alpha)-position.
(2s)-4-ethenyl-2-(hydroxymethyl)-3-methylpyrrole-2,5-diol
7-(methoxymethyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-ol
3-methylhistidin
{"Ingredient_id": "HBIN008950","Ingredient_name": "3-methylhistidin","Alias": "NA","Ingredient_formula": "C7H11N3O2","Ingredient_Smile": "CN1C=NC=C1CC(C(=O)O)N","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31636","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
