Exact Mass: 144.0422568
Exact Mass Matches: 144.0422568
Found 500 metabolites which its exact mass value is equals to given mass value 144.0422568,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Naphthol
1-Naphthol, or ?-naphthol, is a colorless crystalline solid with the formula C10H7OH. It is an isomer of 2-naphthol differing by the location of the hydroxyl group on naphthalene. The naphthols are naphthalene homologues of phenol, with the hydroxyl group being more reactive than in the phenols. Both isomers are soluble in simple alcohols, ethers, and chloroform. They can be used in the production of dyes and in organic synthesis.; 1-naphthol (1N) is a metabolite of carbaryl and naphthalene that is an intermediate in Metabolism of xenobiotics by cytochrome P450. It is generated by spontaneous reaction from (1R,2S)-Naphthalene epoxide then is it converted to 1,4-Dihydroxynaphthalene. Although 1-Naphthol is not persistent in the body, a single urine sample may adequately predict exposure over several months to chlorpyrifos, which is a broad-spectrum organophosphate insecticide. In adult men, TCPY and 1N were associated with reduced testosterone levels (PMID: 16357596, 15579421). Naphthalen-1-ol is found in black walnut. 1-naphthol (1N) is a metabolite of carbaryl and naphthalene that is an intermediate in Metabolism of xenobiotics by cytochrome P450. It is generated by spontaneous reaction from (1R,2S)-Naphthalene epoxide then is it converted to 1,4-Dihydroxynaphthalene. Although 1-Naphthol is not persistent in the body, a single urine sample may adequately predict exposure over several months to chlorpyrifos, which is a broad-spectrum organophosphate insecticide. In adult men, TCPY and 1N were associated with reduced testosterone levels (PMID:16357596, 15579421). CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8253; ORIGINAL_PRECURSOR_SCAN_NO 8251 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9487; ORIGINAL_PRECURSOR_SCAN_NO 9486 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8287; ORIGINAL_PRECURSOR_SCAN_NO 8285 ORIGINAL_PRECURSOR_SCAN_NO 9486; CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4807; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4731 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9506; ORIGINAL_PRECURSOR_SCAN_NO 9505 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4799 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4715 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8261; ORIGINAL_PRECURSOR_SCAN_NO 8259 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4767 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8267; ORIGINAL_PRECURSOR_SCAN_NO 8265 CONFIDENCE standard compound; INTERNAL_ID 1136; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777 CONFIDENCE standard compound; INTERNAL_ID 46 1-naphthol is an excited state proton transfer (ESPT) fluorescent molecular probe. 1-naphthol is an excited state proton transfer (ESPT) fluorescent molecular probe.
2-Naphthol
2-Naphthol is a colorless crystalline solid and an isomer of 1-naphthol, differing by the location of the hydroxyl group on naphthalene. The naphthols are naphthalene homologues of phenol, with the hydroxyl group being more reactive than in the phenols. 2-Naphthol has several different uses including dyes, pigments, fats, oils, insecticides, pharmaceuticals, perfumes, antiseptics, synthesis of fungicides, and antioxidants for rubber. Detection of 2-Naphthol in urine usually results from long-term persistent exposure to pesticides such as chlorpyrifos, but also due to exposure to naphthalene in older types of mothballs, fires that produce polyaromatic hydrocarbons (PAHs), and tobacco smoke. CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4804; ORIGINAL_PRECURSOR_SCAN_NO 4799 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8253; ORIGINAL_PRECURSOR_SCAN_NO 8251 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4807; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4717; ORIGINAL_PRECURSOR_SCAN_NO 4715 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8227; ORIGINAL_PRECURSOR_SCAN_NO 8225 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8267; ORIGINAL_PRECURSOR_SCAN_NO 8265 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4779; ORIGINAL_PRECURSOR_SCAN_NO 4777 ORIGINAL_ACQUISITION_NO 8267; CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8265 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8261; ORIGINAL_PRECURSOR_SCAN_NO 8259 ORIGINAL_PRECURSOR_SCAN_NO 4731; CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4732; ORIGINAL_PRECURSOR_SCAN_NO 4731 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8211; ORIGINAL_PRECURSOR_SCAN_NO 8209 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8287; ORIGINAL_PRECURSOR_SCAN_NO 8285 CONFIDENCE standard compound; INTERNAL_ID 877; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4771; ORIGINAL_PRECURSOR_SCAN_NO 4767 C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Trace constituent of essential oils 2-Naphthol is a metabolite of naphthalene, catalyzed by cytochrome P450 (CYP) isozymes (CYP 1A1, CYP 1A2, CYP 2A1, CYP 2E1 and CYP 2F2).
Ethchlorvynol
Ethchlorvynol is only found in individuals that have used or taken this drug. It is a sedative and hypnotic drug. It has been used to treat insomnia, but has been largely superseded and is only offered where an intolerance or allergy to other drugs exists. [Wikipedia]Although the exact mechanism of action is unknown, ethchlorvynol appears to depress the central nervous system in a manner similar to that of barbiturates. Barbiturates bind at a distinct binding sites associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Maleic acid homopolymer
Limescale prevention additive for boiler water. Maleic acid homopolymer is a permitted additive in food Limescale prevention additive for boiler water. Permitted additive in foods
Naphthalene epoxide
Naphthalene epoxide is an epoxide derivative of naphthalene. The toxicity of naphthalene has to do with the Phase I metabolism of this compound by cytochrome P450 monooxygenases. Deactivation of naphthalene involves epoxidation followed by glutathione conjugation and mercapturic acid formation. Naphthalene is stereoselectively metabolized to form (1R,2S)-Naphthalene epoxide and (1S,2R)-Naphthalene epoxide in the presence of CYP1A1 and CYP1A2, CYP2E1,CYP3A4 and CYP2A6. (PMID: 16959878) [HMDB] Naphthalene epoxide is an epoxide derivative of naphthalene. The toxicity of naphthalene has to do with the Phase I metabolism of this compound by cytochrome P450 monooxygenases. Deactivation of naphthalene involves epoxidation followed by glutathione conjugation and mercapturic acid formation. Naphthalene is stereoselectively metabolized to form (1R,2S)-Naphthalene epoxide and (1S,2R)-Naphthalene epoxide in the presence of CYP1A1 and CYP1A2, CYP2E1,CYP3A4 and CYP2A6. (PMID: 16959878).
N-Nitrosoproline
N-nitrosoproline belongs to the family of Pyrrolidine Carboxylic Acids and Derivatives. These are compounds containing a pyrrolidine ring which bears a carboxylic acid or a derivative thereof.
microthecin
A metabolite isolated from morels (e.g. Morchella costata) and red algae (e.g. Gracilariopsis lemaneiformis).
(1S,2R)-Naphthalene 1,2-oxide
This compound belongs to the family of Benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring.
S-(3-Methyl-2-butenyl) ethanethioate
S-(3-Methyl-2-butenyl) ethanethioate is a flavouring ingredien Flavouring ingredient
(Z)-2-Decene-4,6,8-triyn-1-ol
(Z)-2-Decene-4,6,8-triyn-1-ol is found in mushrooms. (Z)-2-Decene-4,6,8-triyn-1-ol is a metabolite of Fistulina hepatic Metabolite of Fistulina hepatica. (Z)-2-Decene-4,6,8-triyn-1-ol is found in mushrooms.
3-Methylglutaconate
3-Methylglutaconic acid is an intermediate (as the CoA thioester) in the leucine degradative pathway as well as the mevalonate shunt, a pathway that links isoprenoid metabolism with mitochondrial acetyl-CoA metabolism (PMID: 7603789). 3-methylglutaconyl-CoA hydratase is involved in the metabolism process of 3-methylglutaconic acid. When present in sufficiently high levels, 3-methylglutaconic acid can act as an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of 3-methylglutaconic acid are associated with at least five inborn errors of metabolism including 3-hydroxy-3-methylglutaryl-CoA lyase deficiency, 3-methylglutaconic aciduria type I, 3-methylglutaconic aciduria type III, 3-methylglutaconic aciduria type IV, and guanidinoacetate methyltransferase deficiency (GAMT deficiency). 3-Methylglutaconic acid is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of the untreated IEMs mentioned above. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. 3-Methylglutaconic acid is an intermediate (as the CoA thioester) in the leucine degradative pathway as well as the mevalonate shunt, a pathway that links isoprenoid metabolism with mitochondrial acetyl-CoA metabolism. (PMID: 7603789) 3-Methylglutaconic acid is the major metabolites accumulating in 3-Methylglutaconic aciduria (MGTA). 3-Methylglutaconic acid can induce lipid oxidative damage and protein oxidative. 3-Methylglutaconic acid decreases the non-enzymatic antioxidant defenses in cerebral cortex supernatants to elicit oxidative stress in the cerebral cortex. 3-Methylglutaconic acid can be used for brain damage disease research[1].
5-Methylquinoxaline
5-Methylquinoxaline is found in coffee and coffee products. 5-Methylquinoxaline is present in coffee. 5-Methylquinoxaline is a flavouring ingredient. Present in coffee. Flavouring ingredient. 5-Methylquinoxaline is found in coffee and coffee products.
2-Aminoquinoline
2-Aminoquinoline is found in mushrooms. 2-Aminoquinoline is an alkaloid from the mushroom Leucopaxillus aebissimus var. paradoxus form albiformis (of unknown palatability). Alkaloid from the mushroom Leucopaxillus aebissimus variety paradoxus form albiformis (of unknown palatability). 2-Aminoquinoline is found in mushrooms.
trans-2-Hexenedioic acid
trans-2-Hexenedioic acid is a mono-unsaturated dicarboxylic acid. trans-2-Hexenedioic acid is probably derived from dehydrogenation of adipic acid. It is identified in human urine. [HMDB] trans-2-Hexenedioic acid is a mono-unsaturated dicarboxylic acid. trans-2-Hexenedioic acid is probably derived from dehydrogenation of adipic acid. It is identified in human urine.
2-Vinyl-4H-1,3-dithiine
Present in garlic (Allium sativum) and caucas (Allium victorialis) but not in onion or rakkyo. 2-Vinyl-4H-1,3-dithiine is found in garlic, soft-necked garlic, and onion-family vegetables. 2-Vinyl-4H-1,3-dithiine is found in onion-family vegetables. 2-Vinyl-4H-1,3-dithiine is present in garlic (Allium sativum) and caucas (Allium victorialis) but not in onion or rakky
Ethyl hydrogen fumarate
Ethyl hydrogen fumarate is a fungal growth inhibitor for tomato juice. Fungal growth inhibitor for tomato juice
Dimethyl fumarate
Dimethyl fumarate is a fungal growth inhibitor for tomato juice Dimethyl fumarate is an ester and an , -unsaturated electrophilic compound, undergoing reactions typical to them. It is also a diene acceptor in the ordinary Diels-Alder reaction, where the reactivity of its vinylidenic bond is enchanced by the two electron-withdrawing ester groups. Due to the geometry of the starting ester, the Diels-Alder product will have a trans configuration. Dimethyl fumarate is used to treat psoriasis. It is a lipophilic, highly mobile molecule in human tissue. However, as an , -unsaturated ester, dimethyl fumarate reacts rapidly with the detoxifying agent glutathione by Michael addition. When administered orally, it does not survive long enough to be absorbed into blood L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent Fungal growth inhibitor for tomato juice D011838 - Radiation-Sensitizing Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dimethyl fumarate (DMF) is an orally active and brain-penetrant Nrf2 activator and induces upregulation of antioxidant gene expression. Dimethyl fumarate induces necroptosis in colon cancer cells through GSH depletion/ROS increase/MAPKs activation pathway, and also induces cell autophagy. Dimethyl fumarate can be used for multiple sclerosis research[1][2].
3-Hexenedioic acid
3-Hexenedioic acid is a normal human unsaturated dicarboxylic acid metabolite with increased excretion in patients with Dicarboxylic aciduria caused by fatty acid metabolism disorders. (PMID 2614263, 7096501) The urinary excretion of 3-Hexenedioic acid is increased in conditions of augmented mobilization of fatty acids or inhibited fatty acid oxidation. (PMID 2001377) [HMDB] 3-Hexenedioic acid is a normal human unsaturated dicarboxylic acid metabolite with increased excretion in patients with Dicarboxylic aciduria caused by fatty acid metabolism disorders. (PMID 2614263, 7096501) The urinary excretion of 3-Hexenedioic acid is increased in conditions of augmented mobilization of fatty acids or inhibited fatty acid oxidation. (PMID 2001377). Trans-?2-?butene-?1,?4-?dicarboxylic acid is an endogenous metabolite.
(E)-2-Methylglutaconic acid
2-Methylglutaconic acid is found in the urine of patients with organic aciduria from 2-methylacetoacetyl-CoA thiolase (EC 2.3.1.9, acetyl-CoA C-acetyltransferase) deficiency (ACAT, OMIM 607809). Main clinical features of ACAT include important staturo-ponderal delay, frequent infectious rhinopharyngitis episodes and an acute metabolic acidosis (this metabolic decompensation being adequately halted by bicarbonate supplementation). (PMID: 8930414, 2925825) [HMDB] 2-Methylglutaconic acid is found in the urine of patients with organic aciduria from 2-methylacetoacetyl-CoA thiolase (EC 2.3.1.9, acetyl-CoA C-acetyltransferase) deficiency (ACAT, OMIM 607809). Main clinical features of ACAT include important staturo-ponderal delay, frequent infectious rhinopharyngitis episodes and an acute metabolic acidosis (this metabolic decompensation being adequately halted by bicarbonate supplementation). (PMID: 8930414, 2925825).
3-Hydroxyadipic acid 3,6-lactone
3-hydroxyadipic acid 3,6-lactone is an urinary organic acid. Its level in urine is markedly increased during fasting and in some forms of dicarboxylic aciduria. (PMID: 2739576)
N,N'-dinitrosopiperazine
N,n-dinitrosopiperazine belongs to the family of Piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms. D009676 - Noxae > D002273 - Carcinogens
Dimethyl maleate
Dimethyl maleate belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Dimethyl maleate is the methyl ester of maleic acid and the cis-isomer of dimethyl fumarate. Dimethyl maleate is a commonly used thiol-alkylating agent and enjoys widespread use in many organic synthesis (e.g. as a dienophile for diene syntheses). In the production of plastics, pigments, pharmaceuticals, and agricultural products, dimethyl maleate is used as an additive and an intermediate. In the production of paints, adhesives, and copolymers, dimethyl maleate is used as an intermediate.
Methylglutamic acid
Methylglutamic acid, also known as methylglutamate, is a member of the class of compounds known as methyl-branched fatty acids. Methyl-branched fatty acids are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methylglutamic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methylglutamic acid can be found in tamarind, which makes methylglutamic acid a potential biomarker for the consumption of this food product. N-Methyl-L-glutamic acid (methylglutamate) is a chemical derivative of glutamic acid in which a methyl group has been added to the amino group. It is an intermediate in methane metabolism. Biosynthetically, it is produced from methylamine and glutamic acid by the enzyme methylamine‚Äîglutamate N-methyltransferase. It can also be demethylated by methylglutamate dehydrogenase to regenerate glutamic acid . Methylglutamic acid, also known as methylglutamate, is a member of the class of compounds known as methyl-branched fatty acids. Methyl-branched fatty acids are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methylglutamic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Methylglutamic acid can be found in tamarind, which makes methylglutamic acid a potential biomarker for the consumption of this food product. N-Methyl-L-glutamic acid (methylglutamate) is a chemical derivative of glutamic acid in which a methyl group has been added to the amino group. It is an intermediate in methane metabolism. Biosynthetically, it is produced from methylamine and glutamic acid by the enzyme methylamine—glutamate N-methyltransferase. It can also be demethylated by methylglutamate dehydrogenase to regenerate glutamic acid .
Sodium benzoate
Antimicrobial preservative in foods, e.g. margarine and artificially sweetened fruit preserves. Flavouring agent and adjuvant. Sodium benzoate is a preservative. It is bacteriostatic and fungistatic under acidic conditions. It is used most prevalently in acidic foods such as salad dressings (vinegar), carbonated drinks (carbonic acid), jams and fruit juices (citric acid), pickles (vinegar), and condiments. It is also found in alcohol-based mouthwash and silver polish[citation needed]. It can also be found in cough syrups like Robitussin. Sodium benzoate is declared on a product label as sodium benzoate or E211. Antimicrobial preservative in foods, e.g. margarine and artificially sweetened fruit preserves. Flavouring agent and adjuvant
4,5-dihydroxy-5-(hydroxymethyl)cyclopent-2-en-1-one
3-Quinolinamine
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(E)-2-Nonene-4,6,8-triynoic acid|Non-2-en-4,6,8-triin-1-saeure|trans-Non-2-en-4,6,8-triinsaeure
2,8-Decadiene-4,6-diyn-1-al-(2Z,8E)-form|cis,trans-matricarianal|deca-2c,8t-diene-4,6-diynal
4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-
4-Quinolinamine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
3-Phenylfuran
A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a phenyl group. It is a maillard reaction product identified in mushroom hydrolysates.
3-hexenedioic acid
Trans-?2-?butene-?1,?4-?dicarboxylic acid is an endogenous metabolite.
Monoethyl fumarate
D003879 - Dermatologic Agents CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3193 CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3194 CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3183; ORIGINAL_PRECURSOR_SCAN_NO 3180 CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3184; ORIGINAL_PRECURSOR_SCAN_NO 3182 CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3260; ORIGINAL_PRECURSOR_SCAN_NO 3258 CONFIDENCE standard compound; INTERNAL_ID 241; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3196; ORIGINAL_PRECURSOR_SCAN_NO 3192
3-Methylglutaconic acid
3-Methylglutaconic acid is the major metabolites accumulating in 3-Methylglutaconic aciduria (MGTA). 3-Methylglutaconic acid can induce lipid oxidative damage and protein oxidative. 3-Methylglutaconic acid decreases the non-enzymatic antioxidant defenses in cerebral cortex supernatants to elicit oxidative stress in the cerebral cortex. 3-Methylglutaconic acid can be used for brain damage disease research[1].
Fumaderm
Dimethyl fumarate (DMF) is an orally active and brain-penetrant Nrf2 activator and induces upregulation of antioxidant gene expression. Dimethyl fumarate induces necroptosis in colon cancer cells through GSH depletion/ROS increase/MAPKs activation pathway, and also induces cell autophagy. Dimethyl fumarate can be used for multiple sclerosis research[1][2].
FA 6:2;O2
Trans-?2-?butene-?1,?4-?dicarboxylic acid is an endogenous metabolite.
2-Furan carboxylicacid,tetrahydro-3-oxo-,methylester(9CI)
1H-Imidazole-1-carboxylicacid,fluoromethylester(9CI)
3-Chloro-2-hydrazino-1,2-dihydropyrazine hydrochloride
Sodium Benzoate
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
1H-Imidazole-4-carboxylicacid,5-fluoro-,hydrazide(9CI)
2-methylsulfanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
(3S,6S)-(-)3,6-Dimethyl-1,4-dioxane-2,5-dione[L-(-)-Lactide]
(1R,2R)-rel-2-(Methoxycarbonyl)cyclopropanecarboxylic acid
PROPANEDIOIC ACID, 2-METHYLENE-, 1,3-DIMETHYL ESTER
4-methyl-5-oxido-1-oxa-2-aza-5-azoniacyclopenta-2,4-diene-3-carboxylic acid
2-NAPHTHOL
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent A naphthol carrying a hydroxy group at position 2. 2-Naphthol is a metabolite of naphthalene, catalyzed by cytochrome P450 (CYP) isozymes (CYP 1A1, CYP 1A2, CYP 2A1, CYP 2E1 and CYP 2F2).
dimethyl maleate
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants COVID info from COVID-19 Disease Map, clinicaltrial, clinicaltrials, clinical trial, clinical trials C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dimethyl fumarate (DMF) is an orally active and brain-penetrant Nrf2 activator and induces upregulation of antioxidant gene expression. Dimethyl fumarate induces necroptosis in colon cancer cells through GSH depletion/ROS increase/MAPKs activation pathway, and also induces cell autophagy. Dimethyl fumarate can be used for multiple sclerosis research[1][2].
naphthol
A naphthol carrying a hydroxy group at position 1. 1-naphthol is an excited state proton transfer (ESPT) fluorescent molecular probe. 1-naphthol is an excited state proton transfer (ESPT) fluorescent molecular probe.
4-Acetamidobutanoate
A monocarboxylic acid anion that is the conjugate base of 4-acetamidobutanoic acid, arising from deprotonation of the carboxy group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R,3S)-3,5-dihydroxy-2-methyl-2,3-dihydropyran-4-one
Ethchlorvynol
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
5,6-Dihydroxyuracil
A nucleobase analogue that is uracil substituted at positions 5 and 6 by hydroxy groups.
(1S,2R)-Naphthalene epoxide
A naphthalene 1,2-oxide (the 1S,2R-stereoisomer).
2-methylglutarate(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-methylglutaric acid.
(1R,2S)-Naphthalene epoxide
A naphthalene 1,2-oxide (the 1R,2S-stereoisomer).
4-Guanidinobutanoate
A monocarboxylic acid anion that is the conjugate base of 4-guanidinobutanoic acid.
butyrylglycinate
A monocarboxylic acid anion that is the conjugate base of butyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-isobutyrylglycinate
A monocarboxylic acid anion that is the conjugate base of N-isobutyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
adipate(2-)
A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid.
(2E,4E)-5-chloro-4-methylhepta-2,4-diene
{"Ingredient_id": "HBIN005551","Ingredient_name": "(2E,4E)-5-chloro-4-methylhepta-2,4-diene","Alias": "(2E,4E)-5-chloro-4-methyl-hepta-2,4-diene","Ingredient_formula": "C8H13Cl","Ingredient_Smile": "NA","Ingredient_weight": "144.64","OB_score": "47.95898686","CAS_id": "105949-73-3","SymMap_id": "SMIT11362","TCMID_id": "NA","TCMSP_id": "MOL010303","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}