Exact Mass: 127.026942
Exact Mass Matches: 127.026942
Found 445 metabolites which its exact mass value is equals to given mass value 127.026942,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Guvacine
Guvacine is a alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring. It has a role as a plant metabolite and a GABA reuptake inhibitor. It is a beta-amino acid, a tetrahydropyridine, an alpha,beta-unsaturated monocarboxylic acid, a pyridine alkaloid and a secondary amino compound. Guvacine is a pyridine alkaloid found in the Areca nut (also known as the Betel nut). It is an experimental drug with no approved indication. Experimental studies are still being investigated to determine all of the physiological effects and mechanisms of action of guvacine. Currently it has been determined that guvacine is a specific GABA reuptake inhibitor with no significant affinity at GABA receptors. A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring.
4-Chloroaniline
CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3539; ORIGINAL_PRECURSOR_SCAN_NO 3535 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3527 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3546; ORIGINAL_PRECURSOR_SCAN_NO 3542 CONFIDENCE standard compound; INTERNAL_ID 1361; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3544; ORIGINAL_PRECURSOR_SCAN_NO 3541 CONFIDENCE standard compound; INTERNAL_ID 4138 CONFIDENCE standard compound; INTERNAL_ID 8258 CONFIDENCE standard compound; INTERNAL_ID 8115
2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid
2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid (CAS: 3038-89-9), also known as 2,3,4,5-tetrahydropiperidine-2-carboxylate and 1-piperideine-6-carboxylic acid, is a cyclic intermediate in lysine degradation. L-Lysine is an essential amino acid that is a necessary building block for all protein in the body and It plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the bodys production of hormones, enzymes, and antibodies. In the lysine degradation pathway, 2,3,4,5-tetrahydro-2-pyridinecarboxylic acid is a substrate for L-aminoadipate-semialdehyde dehydrogenase (amaA) and can be formed by the spontaneous cyclization of 2-aminoadipate-6-semialdehyde. 2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid is also an intermediate in glycine, serine, and threonine metabolism. It is a substrate for peroxisomal sarcosine oxidase. KEIO_ID I015
Isoguvacine
Acquisition and generation of the data is financially supported in part by CREST/JST. D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
1-Piperideine-2-carboxylic acid
1-Piperideine-2-carboxylic acid (P2C), also known as Δ1-pipecolic acid, is classified as a member of the tetrahydropyridines. Tetrahydropyridines are derivatives of pyridine in which two double bonds in the pyridine moiety are reduced by adding four hydrogen atoms. 1-Piperideine-2-carboxylic acid is considered to be slightly soluble (in water) and acidic. 1-Piperideine-2-carboxylic acid is an intermediate of the L-lysine metabolic pathway in the brain; the uptake of P2C into the synaptosome of the cerebral cortex was Na+ and temperature-dependent (PMID: 7654748). delta 1-Piperidine-2-carboxylic acid (P2C), an intermediate of the L-lysine metabolic pathway in the brain; the uptake of P2C into the synaptosome of the cerebral cortex was Na+ and temperature-dependent (PMID 7654748 ) [HMDB]
1-Methyl-4-nitroimidazole
1-Methyl-4-nitroimidazole is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
Thiiranebutanenitrile
Thiiranebutanenitrile is found in brassicas. Thiiranebutanenitrile is a hydrolysis produced from seeds of Brassica campestri
5-Isothiocyanato-1-pentene
Mustard oil from rape (Brassica napus), brown mustard (Brassica juncea) and other crucifers. Formed from 4-Pentenyl glucosinolate
(±)-4-Methylene-2-pyrrolidinecarboxylic acid
(±)-4-Methylene-2-pyrrolidinecarboxylic acid is found in fruits. (±)-4-Methylene-2-pyrrolidinecarboxylic acid is present in loquat seeds (Eriobotrya japonica Present in loquat seeds (Eriobotrya japonica). (±)-4-Methylene-2-pyrrolidinecarboxylic acid is found in fruits.
2-Acetylthiazole
2-Acetylthiazole is found in alcoholic beverages. 2-Acetylthiazole is an important flavour component; antioxidant. 2-Acetylthiazole is present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize. 2-Acetylthiazole is an important flavouring component; antioxidant. Present in asparagus, kohlrabi, cooked potatoes, roast turkey, raw chicken, cooked beef, pork liver, beer, whisky, heated beans, various mushrooms, rice bran and maize.
2-Ethyl-4-methylthiazole
Organoleptic, occurring mainly in coffee aroma, also cooked uncured pork and fennel. Flavouring agent. 2-Ethyl-4-methylthiazole is found in coffee and coffee products, animal foods, and green vegetables. 2-Ethyl-4-methylthiazole is found in animal foods. Organoleptic, occurring mainly in coffee aroma, also cooked uncured pork and fennel. 2-Ethyl-4-methylthiazole is a flavouring agent
4-Ethyl-2-methylthiazole
Organoleptic, present mainly in coffee aroma and cooked meat. 4-Ethyl-2-methylthiazole is found in coffee and coffee products and animal foods. 4-Ethyl-2-methylthiazole is found in animal foods. Organoleptic, present mainly in coffee aroma and cooked mea
5-Ethyl-4-methylthiazole
5-Ethyl-4-methylthiazole is found in coffee and coffee products. Organoleptic, occurring in coffee arom
Trimethylthiazole
Trimethylthiazole, also known as fema 3325, belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. Trimethylthiazole is a chocolate, cocoa, and coffee tasting compound. Trimethylthiazole is found, on average, in the highest concentration within kohlrabis. Trimethylthiazole has also been detected, but not quantified, in several different foods, such as coffee and coffee products, mung beans, potato, soy beans, and tea. This could make trimethylthiazole a potential biomarker for the consumption of these foods. Present in coffee, cooked meats and cooked potatoes. Flavouring ingredient. Trimethylthiazole is found in many foods, some of which are tea, animal foods, kohlrabi, and coffee and coffee products.
Hydroxyminaline
Hydroxyminaline is a component of the molecule pectase found in Penicillium and Aspergillu Component of the molecule pectase found in Penicillium and Aspergillus
4-Ethyl-5-methylthiazole
Volatile component of coffee and cooked pork. 4-Ethyl-5-methylthiazole is found in coffee and coffee products and animal foods. 4-Ethyl-5-methylthiazole is found in animal foods. 4-Ethyl-5-methylthiazole is a volatile component of coffee and cooked pork.
5-Ethyl-2-methylthiazole
Volatile component of coffee aroma, fried chicken, cooked pork and yeast extract. 5-Ethyl-2-methylthiazole is found in mushrooms, coffee and coffee products, and animal foods. 5-Ethyl-2-methylthiazole is found in animal foods. 5-Ethyl-2-methylthiazole is a volatile component of coffee aroma, fried chicken, cooked pork and yeast extract.
Crotonyl isothiocyanate
Crotonyl isothiocyanate is a member of the class of compounds known as isothiocyanate acids. Isothiocyanate acids are acidic derivatives of isothiocyanates with the general formula RC(=O)N=C=S. Crotonyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Crotonyl isothiocyanate can be found in chinese mustard, which makes crotonyl isothiocyanate a potential biomarker for the consumption of this food product.
Baikiain
Baikiain, also known as 4,5-dehydropipecolic acid, (+-)-isomer, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Baikiain is soluble (in water) and a moderately acidic compound (based on its pKa). Baikiain can be found in date, which makes baikiain a potential biomarker for the consumption of this food product.
furaneol (keto form)
Furaneol (keto form), also known as 2,5-dimethyl-4-hydroxy-3(2h)-furanone or hdmf, is a member of the class of compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Furaneol (keto form) is soluble (in water) and a very weakly acidic compound (based on its pKa). Furaneol (keto form) can be found in a number of food items such as globe artichoke, nuts, quinoa, and purslane, which makes furaneol (keto form) a potential biomarker for the consumption of these food products.
1,2,4-Triazole-1-acetic acid
CONFIDENCE standard compound; UCHEM_ID 4206
(S)-2-amino-5-hexynoic acid|(S)-2-Aminohex-5-ynoic acid|(S)-form-2-Amino-5-hexynoic acid|(S)-homopropargylglycine|2(S)-amino-5-hexynoic acid|2(S)-aminohex-5-ynoic acid|homoproparglyglycine|HPG
(2S)-2-amino-4-hexynoic acid|(S)-2-Amino-4-hexynoic acid|2-Amino-4-hexynoic acid|L-2-Aminohex-4-ynsaeure
N-Ethylsuccinimide
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
delta1-Piperideine-6-carboxylate
3-amino-1H-1,2,4-triazole-5-carboxamide(SALTDATA: FREE)
(4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)METHANAMINE
5-Methyl-2H-1,2,3-triazole-4-carboxylic acid (SALTDATA: FREE)
Pyrithione
C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
(1R,2S)-1-Amino-2-vinylcyclopropanecarboxylic acid
2-FLUORO-1,1-DIMETHYL-ETHYLAMINE HCL-SALT
C4H11ClFN (127.05640079999999)
3-Isoxazolecarboxylic acid, methyl ester (8CI,9CI)
(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
1-Cyclopentene-1-carboxylicacid,4-amino-,(4R)-(9CI)
2H-Imidazol-2-one,1-(2-aminoethyl)-1,3-dihydro-(9CI)
6-Azathymine
A nucleobase analogue that is thymine in which the CH group at position 6 is replaced by nitrogen.
1-(2-FURYLMETHYL)PIPERIDIN-4-YL]METHANOL HYDROCHLORIDE
3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA: FREE)
Penem
An organic heterobicyclic compound that consists of (5R)-4-thia-1-azabicyclo[3.2.0]hept-2-ene bearing a 7-keto substituent. The parent of the class of penems. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(2R,3R)-3-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
delta-1-piperidine-6-carboxylic acid
(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate is a cyclic intermediate in lysine degradation. L-Lysine is an essential amino acid that is a necessary building block for all protein in the body and It plays a major role in calcium absorption; building muscle protein; recovering from surgery or sports injuries; and the bodys production of hormones, enzymes, and antibodies. In lysine degradation pathway, (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate is a substrate for L-aminoadipate-semialdehyde dehydrogenase (amaA) and can be formed by spontaneous cyclization of 2-aminoadipate-6-semialdehyde. [HMDB]. (S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate is found in many foods, some of which are sorghum, ginger, celery leaves, and lowbush blueberry.
n-Hydroxyhistamine
A hydroxylamine that is histamine in which the primary amino group is replaced by a hydroxyamino group.
(2S)-2-azaniumyl-2-(2-methylidenecyclopropyl)acetate
(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Melamine(1+)
An organic cation obtained by protonation of one of the three ring nitrogens of melamine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Dihydrophloroglucinol(1-)
An organic anion that is the conjugate base of dihydrophloroglucinol, obtained by deprotonation of the enolic hydroxy group; major species at pH 7.3.
4-Hydroxy-2,5-dimethylfuran-3-olate
An organic anion that is the conjugate base of 4-hydroxy-2,5-dimethyl-3-furanone, obtained by deprotonation of the hydroxy group with concomitant keto/enol-type tautomerisation. It is thought to be a major microspecies at pH 7.3.
(S)-1-piperideine-6-carboxylic acid
The (S)-enantiomer of 1-piperideine-6-carboxylic acid.
isoguvacine
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
L-alpha-(methylidenecyclopropyl)glycine
A non-proteinogenic L-alpha-amino acid that is glycine in which one of the methyl hydrogens has been replaced by a 2-methylenecyclopropyl group.
1-piperideine-6-carboxylic acid
A tetrahydropyridine that is 2,3,4,5-tetrahydropyridine having a carboxy group at the 2-position.
1-piperideine-2-carboxylic acid zwitterion
A zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of 1-piperideine-2-carboxylic acid