Exact Mass: 181.12284820000002
Exact Mass Matches: 181.12284820000002
Found 500 metabolites which its exact mass value is equals to given mass value 181.12284820000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-Tyrosine
Tyrosine (Tyr) or L-tyrosine is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 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. L-tyrosine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Tyrosine is found in all organisms ranging from bacteria to plants to animals. It is classified as a non-polar, uncharged (at physiological pH) aromatic amino acid. Tyrosine is a non-essential amino acid, meaning the body can synthesize it – usually from phenylalanine. The conversion of phenylalanine to tyrosine is catalyzed by the enzyme phenylalanine hydroxylase, a monooxygenase. This enzyme catalyzes the reaction causing the addition of a hydroxyl group to the end of the 6-carbon aromatic ring of phenylalanine, such that it becomes tyrosine. Tyrosine is found in many high-protein food products such as chicken, turkey, fish, milk, yogurt, cottage cheese, cheese, peanuts, almonds, pumpkin seeds, sesame seeds, soy products, lima beans, avocados and bananas. Tyrosine is one of the few amino acids that readily passes the blood-brain barrier. Once in the brain, it is a precursor for the neurotransmitters dopamine, norepinephrine and epinephrine, better known as adrenalin. These neurotransmitters are an important part of the bodys sympathetic nervous system, and their concentrations in the body and brain are directly dependent upon dietary tyrosine. Tyrosine is not found in large concentrations throughout the body, probably because it is rapidly metabolized. Folic acid, copper and vitamin C are cofactor nutrients of these reactions. Tyrosine is also the precursor for hormones, including thyroid hormones (diiodotyrosine), catecholestrogens and the major human pigment, melanin. Tyrosine is an important amino acid in many proteins, peptides and even enkephalins, the bodys natural pain reliever. Valine and other branched amino acids, and possibly tryptophan and phenylalanine may reduce tyrosine absorption. A number of genetic errors of tyrosine metabolism have been identified, such as hawkinsinuria and tyrosinemia I. The most common feature of these diseases is the increased amount of tyrosine in the blood, which is marked by decreased motor activity, lethargy and poor feeding. Infection and intellectual deficits may occur. Vitamin C supplements can help reverse these disease symptoms. Some adults also develop elevated tyrosine in their blood. This typically indicates a need for more vitamin C. More tyrosine is needed under stress, and tyrosine supplements prevent the stress-induced depletion of norepinephrine and can help aleviate biochemical depression. However, tyrosine may not be good for treating psychosis. Many antipsychotic medications apparently function by inhibiting tyrosine metabolism. L-Dopa, which is directly used in Parkinsons, is made from tyrosine. Tyrosine, the nutrient, can be used as an adjunct in the treatment of Parkinsons. Peripheral metabolism of tyrosine necessitates large doses of tyrosine, however, compared to L-Dopa (http://www.dcnutrition.com). In addition to its role as a precursor for neurotransmitters, tyrosine plays an important role for the function of many proteins. Within many proteins or enzymes, certain tyrosine residues can be tagged (at the hydroxyl group) with a phosphate group (phosphorylated) by specialized protein kinases. In its phosphorylated form, tyrosine is called phosphotyrosine. Tyrosine phosphorylation is considered to be one of the key steps in signal transduction and regulation of enzymatic activity. Tyrosine (or its precursor phenylalanine) is also needed to synthesize the benzoquinone structure which forms part of coenzyme Q10. L-tyrosine is an optically active form of tyrosine having L-configuration. It has a role as an EC 1.3.1.43 (arogenate dehydrogenase) inhibitor, a nutraceutical, a micronutrient and a fundamental metabolite. It is an erythrose 4-phosphate/phosphoenolpyruvate family amino acid, a proteinogenic amino acid, a tyrosine and a L-alpha-amino acid. It is functionally related to a L-tyrosinal. It is a conjugate base of a L-tyrosinium. It is a conjugate acid of a L-tyrosinate(1-). It is an enantiomer of a D-tyrosine. It is a tautomer of a L-tyrosine zwitterion. Tyrosine is a non-essential amino acid. In animals it is synthesized from [phenylalanine]. It is also the precursor of [epinephrine], thyroid hormones, and melanin. L-Tyrosine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). L-Tyrosine is the levorotatory isomer of the aromatic amino acid tyrosine. L-tyrosine is a naturally occurring tyrosine and is synthesized in vivo from L-phenylalanine. It is considered a non-essential amino acid; however, in patients with phenylketonuria who lack phenylalanine hydroxylase and cannot convert phenylalanine into tyrosine, it is considered an essential nutrient. In vivo, tyrosine plays a role in protein synthesis and serves as a precursor for the synthesis of catecholamines, thyroxine, and melanin. Tyrosine is an essential amino acid that readily passes the blood-brain barrier. Once in the brain, it is a precursor for the neurotransmitters dopamine, norepinephrine and epinephrine, better known as adrenalin. These neurotransmitters are an important part of the bodys sympathetic nervous system, and their concentrations in the body and brain are directly dependent upon dietary tyrosine. Tyrosine is not found in large concentrations throughout the body, probably because it is rapidly metabolized. Folic acid, copper and vitamin C are cofactor nutrients of these reactions. Tyrosine is also the precursor for hormones, thyroid, catecholestrogens and the major human pigment, melanin. Tyrosine is an important amino acid in many proteins, peptides and even enkephalins, the bodys natural pain reliever. Valine and other branched amino acids, and possibly tryptophan and phenylalanine may reduce tyrosine absorption. A number of genetic errors of tyrosine metabolism occur. Most common is the increased amount of tyrosine in the blood of premature infants, which is marked by decreased motor activity, lethargy and poor feeding. Infection and intellectual deficits may occur. Vitamin C supplements reverse the disease. Some adults also develop elevated tyrosine in their blood. This indicates a need for more vitamin C. More tyrosine is needed under stress, and tyrosine supplements prevent the stress-induced depletion of norepinephrine and can cure biochemical depression. However, tyrosine may not be good for psychosis. Many antipsychotic medications apparently function by inhibiting tyrosine metabolism. L-dopa, which is directly used in Parkinsons, is made from tyrosine. Tyrosine, the nutrient, can be used as an adjunct in the treatment of Parkinsons. Peripheral metabolism of tyrosine necessitates large doses of tyrosine, however, compared to L-dopa. A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin. Dietary supplement, nutrient. Flavouring ingredient. L-Tyrosine is found in many foods, some of which are blue crab, sweet rowanberry, lemon sole, and alpine sweetvetch. An optically active form of tyrosine having L-configuration. L-Tyrosine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=60-18-4 (retrieved 2024-07-01) (CAS RN: 60-18-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex. L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex.
Beta-Tyrosine
The use of tyrosine kinase receptor inhibitors is increasingly becoming a valuable therapeutic alternative in tumors carrying activated tyrosine kinase receptors. GMR beta tyrosine residues are not necessary for activation of the JAK/STAT pathway, or for proliferation, viability, or adhesion signaling in Ba/F3 cells, although tyrosine residues significantly affect the magnitude of the response. (PMID:10372132). The use of tyrosine kinase receptor inhibitors is increasingly becoming a valuable therapeutic alternative in tumors carrying activated tyrosine kinase receptors. KEIO_ID A176
L-Threo-3-Phenylserine
Incorporated into the benzoyl moiety of urinary hippuric acid [HMDB] Incorporated into the benzoyl moiety of urinary hippuric acid.
Pyridostigmine
C9H13N2O2+ (181.09769780000002)
Pyridostigmine is only found in individuals that have used or taken this drug. It is a cholinesterase inhibitor with a slightly longer duration of action than neostigmine. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. [PubChem]Pyridostigmine inhibits acetylcholinesterase in the synaptic cleft by competing with acetylcholine for attachment to acetylcholinesterase, thus slowing down the hydrolysis of acetylcholine, and thereby increases efficiency of cholinergic transmission in the neuromuscular junction and prolonges the effects of acetylcholine. N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
Meta-Tyrosine
Meta-Tyrosine, or M-Tyrosine for short, is a natural weed suppressant found in certain Fine fescue grass. M-tyrosine exudes out of the grass plants roots and is then absorbed by neighbouring weed seedlings. The weed plants will either die or be stunted from the toxic acid. DL-m-Tyrosine shows effects on Arabidopsis root growth. Carbidopa combination with DL-m-tyrosine shows a potent hypotensive effect[1][2].
4-Hydroxy-4-(3-pyridyl)-butanoic acid
4-Hydroxy-4-(3-pyridyl)-butanoic acid is a nitrosonornicotine metabolite derived from tobacco smoke. (PMID: 796709). This nicotine-related compound was separated by HPLC as a cotinine metabolite in human urine and an urinary metabolites of (methylnitrosamino)(pyridyl)butanone in rats. (MID: 10362230). 4-Hydroxy-4-(3-pyridyl)-butanoic acid is a nitrosonornicotine metabolite derived from tobacco smoke. (PMID: 796709)
Acetylcholine chloride
C7H16ClNO2 (181.08695060000002)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Acetylcholine chloride (ACh chloride), a neurotransmitter, is a potent cholinergic agonist. Acetylcholine chloride is a modulator of the activity of dopaminergic (DAergic) neurons through the stimulation of nicotinic acetylcholine receptors (nAChRs)[1][2]. Acetylcholine chloride inhibits p53 mutant peptide aggregation in vitro[5]. Acetylcholine chloride (ACh chloride), a neurotransmitter, is a potent cholinergic agonist. Acetylcholine chloride is a modulator of the activity of dopaminergic (DAergic) neurons through the stimulation of nicotinic acetylcholine receptors (nAChRs)[1][2]. Acetylcholine chloride inhibits p53 mutant peptide aggregation in vitro[5].
3-amino-3-(4-hydroxyphenyl)propanoic acid
A beta-amino acid comprising propionic acid having amino and 4-hydroxyphenyl groups attached at the 3-position.
o-Tyrosine
o-Tyrosine is a normal human metabolite. Its presence is possible due to the hydroxylation of l-phenylalanine by hydroxyl radical (*OH), and is proposed as an hydroxy radical biomarker of oxidative damage to proteins. o-Tyrosine might also be included in the diet and absorbed. It has been associated with disease such as Kwashiorkor, a severe form of protein-energy malnutrition. However, many publications mention that the results are inconclusive, and o-tyrosine is not selectively altered by antioxidant intervention, exercise training or age. (PMID: 14670743, 10969271, 9887186) [HMDB] o-Tyrosine is a normal human metabolite. Its presence is possible due to the hydroxylation of l-phenylalanine by hydroxyl radical (*OH), and is proposed as an hydroxy radical biomarker of oxidative damage to proteins. o-Tyrosine might also be included in the diet and absorbed. It has been associated with disease such as Kwashiorkor, a severe form of protein-energy malnutrition. However, many publications mention that the results are inconclusive, and o-tyrosine is not selectively altered by antioxidant intervention, exercise training or age. (PMID:14670743, 10969271, 9887186).
3,4-Dimethoxyphenylethylamine
3,4-Dimethoxyphenylethylamine, also known as 3,4-DMPEA or DMPEA is an endogenous metabolite found in urine that belongs to both the phenethylamine and catecholamine families. DMPEA is an analogue of dopamine (3,4-dihydroxyphenethylamine), with a substitution of the hydroxy groups with methoxy groups. DMPEA is also structurally similar to mescaline (3,4,5-trimethoxyphenylethylamine) and occurs naturally alongside it in various species of cacti such as the San Pedro and Peruvian Torch (PMID: 5511715, 925910, 600028). DMPEA received wide attention after it was proposed as a biomarker in schizophrenic patients urine, however later studies revealed that DMPEA is also excreted by non-schizophrenics (PMID: 709888). DMPEA has little known bioactivity, but it has some action as a monoamine oxidase inhibitor (PMID: 886445). DMPEA has also been shown to have neurotoxic effects, especially in the nigrostriatal system and among dopaminergic neurons (PMID: 9409711, 9134983). DMPEA appears to be an inhibitor of mitochondrial complex I (PMID: 9409711).
3-O-Methyl-a-methyldopamine
3-O-Methyl-a-methyldopamine is a metabolite of methyldopa. Methyldopa (-α-Methyl-3,4-dihydroxyphenylalanine; Aldomet, Aldoril, Dopamet, Dopegyt, etc. ) is an alpha-adrenergic agonist (selective for α2-adrenergic receptors) psychoactive drug used as a sympatholytic or antihypertensive. Its use is now mostly deprecated following the introduction of alternative safer classes of agents. However, it continues to have a role in otherwise difficult to treat hypertension and gestational hypertension (also known as pregnancy-induced hypertension). (Wikipedia)
beta-O-Methylynephrine
beta-O-Methylynephrine is found in citrus. beta-O-Methylynephrine is obtained from tangerine leaves, poss. as artifact. obtained from tangerine leaves, poss. as artifact. beta-O-Methylynephrine is found in citrus.
(R)-2-Nitro-p-mentha-1,5-diene
Constituent of Angelica archangelica (angelica). (R)-2-Nitro-p-mentha-1,5-diene is found in fats and oils, herbs and spices, and green vegetables. (R)-2-Nitro-p-mentha-1,5-diene is found in fats and oils. (R)-2-Nitro-p-mentha-1,5-diene is a constituent of Angelica archangelica (angelica)
cis-6-Nitro-p-mentha-1(7),2-diene
Constituent of Angelica archangelica (angelica). cis-6-Nitro-p-mentha-1(7),2-diene is found in fats and oils, herbs and spices, and green vegetables. trans-6-Nitro-p-mentha-1(7),2-dien is found in fats and oils. trans-6-Nitro-p-mentha-1(7),2-dien is a constituent of Angelica archangelica (angelica)
6-Methyltetrahydropterin
Cofactor of phenylalanine and tyrosine hydroxylase (S-form) (Combined Chemical Dictionary) [HMDB] Cofactor of phenylalanine and tyrosine hydroxylase (S-form) (Combined Chemical Dictionary).
N-Ethyl trans-2-cis-6-nonadienamide
N-Ethyl trans-2-cis-6-nonadienamide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
5-Ethyl-4-methyl-2-pentyloxazole
5-Ethyl-4-methyl-2-pentyloxazole is found in potato. 5-Ethyl-4-methyl-2-pentyloxazole is a constituent of French fries. Constituent of French fries. 5-Ethyl-4-methyl-2-pentyloxazole is found in potato.
4-Hexyl-2,5-dimethyloxazole
4-Hexyl-2,5-dimethyloxazole is found in animal foods. 4-Hexyl-2,5-dimethyloxazole is a constituent of roast beef. Constituent of roast beef. 4-Hexyl-2,5-dimethyloxazole is found in animal foods.
2-Butyl-4,5-diethyloxazole
2-Butyl-4,5-diethyloxazole is found in potato. 2-Butyl-4,5-diethyloxazole is a constituent of French fries. Constituent of French fries. 2-Butyl-4,5-diethyloxazole is found in potato.
2-Butyl-5-methyl-4-propyloxazole
2-Butyl-5-methyl-4-propyloxazole is found in potato. 2-Butyl-5-methyl-4-propyloxazole is a constituent of French fries. Constituent of French fries. 2-Butyl-5-methyl-4-propyloxazole is found in potato.
2-Hexyl-4,5-dimethyloxazole
2-Hexyl-4,5-dimethyloxazole is found in potato. 2-Hexyl-4,5-dimethyloxazole is a constituent of French fried potato. Constituent of French fried potato. 2-Hexyl-4,5-dimethyloxazole is found in potato.
5-Butyl-4-methyl-2-propyloxazole
Not reported in nature. Not reported in nature
4-Ethyl-5-methyl-2-pentyloxazol
Not reported in nature. Not reported in nature
2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone
2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is found in alcoholic beverages. Proline-derived Maillard product. 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is a flavouring agent. 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is a constituent of dark malt. Proline-derived Maillard product. Flavouring agent. Constituent of dark malt. 2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone is found in alcoholic beverages and cereals and cereal products.
2-(5-Methyl-2-furanyl)-3-piperidinol
Proline-derived Maillard product. Proline-derived Maillard product
5-(1-Pyrrolidinylmethyl)-2-furanmethanol
Proline-derived Maillard product. Proline-derived Maillard product
4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline
This compound belongs to the family of Isoquinolines and Derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine
2-Aminofluorene
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Azepexole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Etilefrine
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 C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
2-Amino-6-methyl-2,3,6,7-tetrahydro-1H-pteridin-4-one
5-[(2R)-2-Aminopropyl]cyclohexa-1,5-diene-1-carboxylic acid
1,2,3-Trimethoxy-5-ethylbenzene
1,2,3-trimethoxy-5-ethylbenzene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxy-5-ethylbenzene can be found in tea, which makes 1,2,3-trimethoxy-5-ethylbenzene a potential biomarker for the consumption of this food product.
Methylgeranate
C11H17O2- (181.12284820000002)
Methylgeranate is also known as methylgeranic acid. Methylgeranate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Methylgeranate can be found in papaya, which makes methylgeranate a potential biomarker for the consumption of this food product.
Tyrosine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex. L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex.
3-Methylcarbazole
3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1]. 3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1].
(R)-Methyl-5-(1-methylethyl)-1-nitro-1,3-cyclohexadiene
(4S-trans)-3-Methylene-6-(1-methylethyl)-4-nitrocyclohexene
N-Phenyldiethanolamine
CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3514; ORIGINAL_PRECURSOR_SCAN_NO 3513 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3512; ORIGINAL_PRECURSOR_SCAN_NO 3507 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3538; ORIGINAL_PRECURSOR_SCAN_NO 3536 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3529; ORIGINAL_PRECURSOR_SCAN_NO 3527 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3560; ORIGINAL_PRECURSOR_SCAN_NO 3557 CONFIDENCE standard compound; INTERNAL_ID 1287; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3523; ORIGINAL_PRECURSOR_SCAN_NO 3520
4-Methylthioamphetamine
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants
Etilefrin
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 C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); CONFIDENCE Reference Standard (Level 1)
N-Di-Me,Et ester-2-Aminoethylphosphonic acid
C6H16NO3P (181.08677559999998)
(S)-5-(1-hydroxybutyl)-6-methylpyridin-2(1H)-one|chrysogedone A
[Z]-5alpha,6beta-dihydroxy-4beta-methoxy-2-cyclohexene-Delta1,alpha-acetonitrile
4-hydroxy-8-isocyano-1-oxaspiro<4.4>cyclonon-8-en-2-one|4-hydroxy-8-isocyano-1-oxaspiro[4.4]cyclonon-8-en-2-one|4-hydroyxy-8-isocyano-1-oxaspiro[4,4]cyclonon-8-en-2-one
3-Methylcarbazole
3-Methyl-9H-carbazole is a natural product found in Murraya euchrestifolia, Clausena heptaphylla, and other organisms with data available. 3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1]. 3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1].
Tyrosine
An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. Annotation level-2 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 56 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 3 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 Acquisition and generation of the data is financially supported by the Max-Planck-Society L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex. L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex.
L-Tyrosine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; OUYCCCASQSFEME-QMMMGPOBSA-N_STSL_0110_L-Tyrosine_0500fmol_180506_S2_LC02_MS02_57; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex. L-Tyrosine is a non-essential amino acid which can inhibit citrate synthase activity in the posterior cortex.
ADRENALONE
B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BC - Local hemostatics A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Metabolite
5-(Dimethylamino)-pentanoic acid hydrochloride
C7H16ClNO2 (181.08695060000002)
Piperazine,1-[(3-methyl-5-isoxazolyl)methyl]- (9CI)
BENZENEPROPANAMIDE, A-AMINO-N-[(1R)-1-[(3AS,4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO-1,3,2-BENZODIOXABOROL-2-YL]-3-METHYLBUTYL]-,HYDROCHLORIDE (1:1), (AS)
L-beta-Homoisoleucine hydrochloride
C7H16ClNO2 (181.08695060000002)
2,2-Difluoro-3-(Methylamino)propanoic Acid Hydrochloride
(2S,3R)-(-)-3-(BENZYLOXYMETHYL)OXIRANE-2-METHANOL4-NITROBENZOICACIDESTER
Methyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate
(1R,2R,4R)-2-Azido-1-isopropyl-4-methylcyclohexane
L-threo-3-phenylserine
A L-phenylalanine derivative carrying a hydroxy substituent at position 3.
(R)-N,N-DIMETHYL-1-[(S)-1,2-BIS(DIPHENYLPHOSPHINO)FERROCENYL]ETHYLAMINE
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
TRANS-(4S,6S)-5,6-DIHYDRO-6-METHYL-4H-THIENO[2,3-B]THIOPYRAN-4-OL,7,7-DIOXIDE
tert-Butyl N-methylglycinate hydrochloride (1:1)
C7H16ClNO2 (181.08695060000002)
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile
5-METHYL-4,5,6,7-TETRAHYDROBENZO[D]ISOXAZOLE-3-CARBOXYLIC ACID
1H-PYRROLE-2-PROPANOIC ACID, .BETA.-OXO-, ETHYL ESTER
dl-valine ethyl ester hydrochloride
C7H16ClNO2 (181.08695060000002)
2,4-DIMETHYL-1,4-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
methyl 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
Hexapropymate
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
methyl 4-formyl-2,5-dimethyl-1h-pyrrole-3-carboxylate
1-ISOPROPYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
5-Pyrimidinecarboxylicacid, 4-amino-2-methyl-, ethyl ester
Ethyl 3-Amino-2,2-dimethylpropanoate Hydrochloride
C7H16ClNO2 (181.08695060000002)
(3S,4S)-4-(Furan-2-yl)pyrrolidine-3-carboxylic acid
3-(2-Formyl-4-methyl-1H-pyrrol-3-yl)-propionic acid
Ethyl 2-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
Methyl 6-aminohexanoate hydrochloride
C7H16ClNO2 (181.08695060000002)
2-Hydroxy-6-methylpyridine-3-carboxylic acid ethyl ester
Benzenemethanamine, 2,5-dimethoxy-a-methyl-, (aR)-
Benzenemethanamine, 2,6-dimethoxy-α-methyl-, (S)- (9CI)
3-(tert-butylamino)propanoic acid,hydrochloride
C7H16ClNO2 (181.08695060000002)
ETHYL 5-AMINOVALERATE HYDROCHLORIDE
C7H16ClNO2 (181.08695060000002)
5-amino-4-(methoxymethyl)-6-methyl-3-pyridinemethanamine
3-(DIETHYLAMINO)PROPANOIC ACID HYDROCHLORIDE
C7H16ClNO2 (181.08695060000002)
(1R,3R,4S)-Ethyl 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
(3-Carboxypropyl)trimethylammonium chloride
C7H16ClNO2 (181.08695060000002)
(3-Carboxypropyl)trimethylammonium chloride is angiopathic substance produced as an intermediary metabolite by gut microbiota that feed on carnitine in dietary red meat.
(3R-CIS)-(-)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO-[2,1-B!OXAZOL-5(7AH)-ONE
(4-Methoxypiperidin-4-yl)methanol hydrochloride
C7H16ClNO2 (181.08695060000002)
tert-Butyl 2-aminopropanoate hydrochloride
C7H16ClNO2 (181.08695060000002)
Thieno[2,3-c]pyridine, 6-ethyl-4,5,6,7-tetrahydro-2-methyl- (9CI)
L-Alanine, butyl ester, hydrochloride
C7H16ClNO2 (181.08695060000002)
ethyl 2-(propan-2-ylamino)acetate,hydrochloride
C7H16ClNO2 (181.08695060000002)
Benzenemethanamine, 2,5-dimethoxy-α-methyl-, (αS)-
Methyl D-leucinate hydrochloride (1:1)
C7H16ClNO2 (181.08695060000002)
Methyl 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
5-ACETYL-4-AMINO-2,6-DIMETHYL-2,3-DIHYDROPYRIDAZIN-3-ONE
N-Methyl-L-leucine hydrochloride (1:1)
C7H16ClNO2 (181.08695060000002)
Ethyl L-valinate hydrochloride (1:1)
C7H16ClNO2 (181.08695060000002)
(17B)-17-[(1-OXODODECYL)OXY]-ESTR-4-EN-3-ONE
C6H16NO3P (181.08677559999998)
(2a,6a,8a,9ab)-Hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one
pentyl 2-aminoacetate,hydrochloride
C7H16ClNO2 (181.08695060000002)
N-[(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)METHYL]PROPAN-2-AMINE
(R)-1-(3,5-DIMETHOXYPHENYL)ETHANAMINE HYDROCHLORIDE
3-[Methyl-(1-methyl-piperidin-4-yl)-amino]-propionitrile
D-VALINE, 3-METHYL-, METHYL ESTER, HYDROCHLORIDE
C7H16ClNO2 (181.08695060000002)
2-(ethylamino)-6-methylpyrimidine-4-carboxylic acid
1-Methoxy-1-oxo-2-hexanaminium chloride
C7H16ClNO2 (181.08695060000002)
2-DIMETHYLAMINO-4-METHYL-PYRIMIDINE-5-CARBOXYLIC ACID
N-METHYL-N-[3-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PROPYL]AMINE
Ethyl 3-amino-3-methylbutanoate hydrochloride
C7H16ClNO2 (181.08695060000002)
1H-Pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester
7-Aminoheptanoic acid hydrochloride (1:1)
C7H16ClNO2 (181.08695060000002)
2-(5-AMINO(2-PYRIDYLOXY))ETHYL]DIMETHYLAMINE HYDROCHLORIDE SALT
1H-Pyrazol-3-amine,5-(4-methyl-1-piperazinyl)-(9CI)
Methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate
Isohexylcyanoacrylate
D001697 - Biomedical and Dental Materials > D014014 - Tissue Adhesives
Chrysogedone A
A pyridone that is pyridin-2(1H)-one substituted by a methyl group at position 6 and a 1-hydroxybutyl group at position 5. It has been isolated from Penicillium chrysogenum.
Ethyl Hydrogen Diethylamidophosphate
C6H16NO3P (181.08677559999998)
AIDS-287167
3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1]. 3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1].
1,2,3-Trimethoxy-5-ethylbenzene
1,2,3-trimethoxy-5-ethylbenzene is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2,3-trimethoxy-5-ethylbenzene can be found in tea, which makes 1,2,3-trimethoxy-5-ethylbenzene a potential biomarker for the consumption of this food product.
[(R)-2,2,3-trimethyl-2-oxocyclopent-3-en-1-yl]acetate
C10H13O3- (181.08646480000002)
5-[(2R)-2-Aminopropyl]cyclohexa-1,5-diene-1-carboxylic acid
5-Hydroxykynurenaminium(1+)
C9H13N2O2+ (181.09769780000002)
An ammonium ion that is the conjugate base of 5-hydroxykynurenamine, arising from selective protonation of the primary alkylamino function; 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
(2,2,3-Trimethyl-5-oxocyclopent-3-en-1-yl)acetate
C10H13O3- (181.08646480000002)
4-chloro-L-lysinium
An alpha-amino-acid cation that is the conjugate acid of 4-chloro-L-lysine zwitterion; major species at pH 7.3.
pyridostigmine
C9H13N2O2+ (181.09769780000002)
N - Nervous system > N07 - Other nervous system drugs > N07A - Parasympathomimetics > N07AA - Anticholinesterases D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
3,4-Dimethoxyphenylethylamine
An aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family.
6-hydroxy-pseudooxy-nornicotinium
C9H13N2O2 (181.09769780000002)
A primary ammonium ion that is the conjugate acid of 6-hydroxy-pseudooxy-nornicotine resulting from the protonation of the primary amino group; major microspecies at pH 7.3.