Exact Mass: 129.0174408

Exact Mass Matches: 129.0174408

Found 315 metabolites which its exact mass value is equals to given mass value 129.0174408, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

4-Oxoproline

4-oxopyrrolidine-2-carboxylic acid

C5H7NO3 (129.0425912)


The 4-isomer of oxoproline.

   

Pyroglutamic acid

(S)-(-)-gamma-Butyrolactam-gamma-carboxylic acid

C5H7NO3 (129.0425912)


Pyroglutamic acid (5-oxoproline) is a cyclized derivative of L-glutamic acid. It is an uncommon amino acid derivative in which the free amino group of glutamic acid cyclizes to form a lactam. It is formed nonenzymatically from glutamate, glutamine, and gamma-glutamylated peptides, but it can also be produced by the action of gamma-glutamylcyclotransferase on an L-amino acid. Elevated blood levels may be associated with problems of glutamine or glutathione metabolism. This compound is found in substantial amounts in brain tissue and other tissues in bound form, especially skin. It is also present in plant tissues. It is sold, over the counter, as a "smart drug" for improving blood circulation in the brain. Pyroglutamate in the urine is a biomarker for the consumption of cheese. When present in sufficiently high levels, pyroglutamic 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 pyroglutamic acid are associated with at least five inborn errors of metabolism including 5-oxoprolinuria, 5-oxoprolinase deficiency, glutathione synthetase deficiency, hawkinsinuria, and propionic acidemia. Pyroglutamic 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. It has been shown that pyroglutamic acid releases GABA from the cerebral cortex and displays anti-anxiety effects in a simple approach-avoidance conflict situation in the rat. In clinical pharmacology experiments, pyroglutamic acid significantly shortens the plasma half-life of ethanol during acute intoxication. Found in vegetables, fruits and molasses. A cyclized derivative of L-glutamic acid. It is an uncommon amino acid derivative in which the free amino group of glutamic acid cyclizes to form a lactam. Pyroglutamate in the urine is a biomarker for the consumption of cheese C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent

   

Cyanuric acid

1,3,5-Triazine-2,4,6-triol (acd/name 4.0)

C3H3N3O3 (129.0174408)


Because of their trifunctionality, CYA is a precursor to crosslinking agents, especially for polyurethane resins. Cyanuric acid or 1,3,5-triazine-2,4,6-triol is a chemical compound with the formula (CNOH)3. Like many industrially useful chemicals, this triazine has many synonyms. This white, odorless solid finds use as a precursor or a component of bleaches, disinfectants, and herbicides. In 1997, worldwide production was 160 million kilograms.

   

Isoquinoline

Isoquinoline conjugate acid

C9H7N (129.0578462)


Isoquinoline is a flavouring agent Being an analog of pyridine, isoquinoline is a weak base, with a pKb of 8.6. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3. Isoquinoline is a colorless hygroscopic liquid at room temperature with a penetrating, unpleasant odor. Impure samples can appear brownish, as is typical for nitrogen heterocycles. It crystallizes platelets that have a low solubility in water but dissolve well in ethanol, acetone, diethyl ether, carbon disulfide, and other common organic solvents. It is also soluble in dilute acids as the protonated derivative. Isoquinoline is a heterocyclic aromatic organic compound. It is a structural isomer of quinoline. Isoquinoline and quinoline are benzopyridines, which are composed of a benzene ring fused to a pyridine ring. In a broader sense, the term isoquinoline is used to make reference to isoquinoline derivatives. 1-Benzylisoquinoline is the structural backbone in naturally occurring alkaloids including papaverine and morphine. The isoquinoline ring in these natural compound derives from the aromatic amino acid tyrosine Flavouring agent KEIO_ID I067

   

Quinoline

Quinoline Hydrochloride

C9H7N (129.0578462)


Quinoline is an alkaloid from various plant species including Mentha species. Also present in cocoa, black tea and scotch whiskey. Quinoline is a flavouring ingredient Quinoline is a heterocyclic aromatic organic compound. It has the formula C9H7N and is a colourless hygroscopic liquid with a strong odour. Aged samples, if exposed to light, become yellow and later brown. Quinoline is only slightly soluble in cold water but dissolves readily in hot water and most organic solvents. Quinoline is found in alcoholic beverages. Quinoline is mainly used as a building block to other specialty chemicals. Approximately 4 tonnes are produced annually according to a report published in 2005.[citation needed] Its principal use is as a precursor to 8-hydroxyquinoline, which is a versatile chelating agent and precursor to pesticides. Its 2- and 4-methyl derivatives are precursors to cyanine dyes. Oxidation of quinoline affords quinolinic acid (pyridine-2,3-dicarboxylic acid), a precursor to the herbicide sold under the name "Assert" Alkaloid from various plant subspecies including Mentha subspeciesand is also present in cocoa, black tea and scotch whiskey. Flavouring ingredient CONFIDENCE standard compound; INTERNAL_ID 2526 KEIO_ID Q008

   

goitrin

goitrin

C5H7NOS (129.02483320000002)


D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2335 INTERNAL_ID 2335; CONFIDENCE Reference Standard (Level 1)

   

Pyrroline hydroxycarboxylic acid

3-Hydroxy delta 1-pyrroline-5-carboxylic acid, anion

C5H7NO3 (129.0425912)


Pyrroline hydroxycarboxylic acid is a metabolite identified in the urine of patients with type II hyperprolinemia. (OMIM 239510). The urinary excretion of Pyrroline hydroxycarboxylic acid increased in hyperprolinemic patients but not in healthy controls during oral loading of hydroxyproline and hydroxyproline-ornithine. (PMID: 533224). Hyperprolinemia type II (HP II) is a rare inherited metabolic disease due to the deficiency of pyroline-5-carboxylate dehydrogenase. It is generally believed to be a benign condition although some patients have neurological problems such as refractory convulsions. (PMID: 15214748). The oxidation of pyrroline-carboxylate generates glutamate and pyrroline-hydroxycarboxylate, a reaction catalyzed by hydroxyproline oxidase (PMID: 500817). Pyrroline hydroxycarboxylic acid is a metabolite identified in the urine of patients with type II hyperprolinemia. (OMIM 239510)

   

1-Pyrroline-4-hydroxy-2-carboxylate

4-hydroxy-4,5-dihydro-3H-pyrrole-2-carboxylic acid

C5H7NO3 (129.0425912)


Much or all of the pyrrole-2-carboxylate (PCA) in human urine may be formed in urine from a labile precursor, presumably delta(1)-pyrroline-4-hydroxy-2-carboxylate. Normal human values for endogenous urinary PCA in 16 individuals averaged 0.51 mumol/day, with a range of 0.20-1.3 mumol and a SD of 0.31 mumol. The probable source of human PCA is free hydroxy-L-proline, as inferred from the high value for PCA in the urine of a subject with hereditary hydroxyprolinemia, and from the threeto eightfold elevation in PCA excretion by two normal subjects after a large oral load of hydroxyl-L-proline. (PMID: 4430715). Much or all of the pyrrole-2-carboxylate (PCA) in human urine may be formed in urine from a labile precursor, presumably delta(1)-pyrroline-4-hydroxy-2-carboxylate.

   

Carbam

Metam-sodium

C2H4NNaS2 (128.9682864)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D016573 - Agrochemicals D010575 - Pesticides

   

D-Pyroglutamate

(R)-(+)-2-Pyrrolidone-5-carboxylic acid

C5H7NO3 (129.0425912)


KEIO_ID P092 (R)-5-Oxopyrrolidine-2-carboxylic acid is an endogenous metabolite.

   

beta-Ethynylserine

beta-Ethynylserine

C5H7NO3 (129.0425912)


   

Flucytosine

Flucytosine (5-FC)

C4H4FN3O (129.0338386)


J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; EAWAG_UCHEM_ID 3121 CONFIDENCE standard compound; INTERNAL_ID 2239 Flucytosine (5-Fluorocytosine) is an antifungal compound with oral activity. Flucytosine is a widely used cytotoxic drug that, after further metabolism, produces fluorinated ribonucleotides and deoxyribonucleotides, inhibits DNA and protein synthesis, and has multiple effects such as inhibiting candida and candida neoplasm infection and producies cytotoxicity to cancer cells[1][2][3].

   

Flucytosine

6-amino-5-fluoro-1,2-dihydropyrimidin-2-one

C4H4FN3O (129.0338386)


Flucytosine is only found in individuals that have used or taken this drug. It is a fluorinated cytosine analog that is used as an antifungal agent. [PubChem]Although the exact mode of action is unknown, it has been proposed that flucytosine acts directly on fungal organisms by competitive inhibition of purine and pyrimidine uptake and indirectly by intracellular metabolism to 5-fluorouracil. Flucytosine enters the fungal cell via cytosine permease; thus, flucytosine is metabolized to 5-fluorouracil within fungal organisms. The 5-fluorouracil is extensively incorporated into fungal RNA and inhibits synthesis of both DNA and RNA. The result is unbalanced growth and death of the fungal organism. It also appears to be an inhibitor of fungal thymidylate synthase. J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent D009676 - Noxae > D000963 - Antimetabolites Flucytosine (5-Fluorocytosine) is an antifungal compound with oral activity. Flucytosine is a widely used cytotoxic drug that, after further metabolism, produces fluorinated ribonucleotides and deoxyribonucleotides, inhibits DNA and protein synthesis, and has multiple effects such as inhibiting candida and candida neoplasm infection and producies cytotoxicity to cancer cells[1][2][3].

   

2,5-Dihydro-2,4,5-trimethylthiazole

2,4,5-trimethyl-2,5-dihydro-1,3-thiazole

C6H11NS (129.0612166)


Flavour constituent of cooked meats. 2,5-Dihydro-2,4,5-trimethylthiazole is found in animal foods. 2,5-Dihydro-2,4,5-trimethylthiazole is found in animal foods. Flavour constituent of cooked meats.

   

2-Acetyl-4,5-dihydrothiazole

1-(4,5-dihydro-1,3-thiazol-2-yl)ethan-1-one

C5H7NOS (129.02483320000002)


2-Acetyl-4,5-dihydrothiazole is found in alcoholic beverages. 2-Acetyl-4,5-dihydrothiazole is reported in beef broth, roast beef and overpasteurized beer. Roasted meat-like flavour ingredient. Reported in beef broth, roast beef and overpasteurized beer. Roasted meat-like flavour ingredient. 2-Acetyl-4,5-dihydrothiazole is found in alcoholic beverages and animal foods.

   

N-Acryloylglycine

2-[(1-Hydroxyprop-2-en-1-ylidene)amino]acetate

C5H7NO3 (129.0425912)


N-Acryloylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:. acyl-CoA + glycine < -- > CoA + N-acylglycine. N-Acryloylglycine is an acylglycines found in normal human biofluids (PMID 7364920; 912020; 7438429). N-Acryloylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:

   

3-Methylene-indolenine

3-Methyleneindolenine, conjugate acid

C9H7N (129.0578462)


3-Methylene-indolenine is an electrophilic molecule produced by the action of cytochrome P450 2F1 on 3-methylindole (3MI). 3-Methylindole (3MI) is a naturally occurring pulmonary toxin that requires metabolic activation. In particular, 3MI-induced pneumotoxicity arises from cytochrome P-450-catalyzed dehydrogenation of 3MI to an electrophilic methylene imine (3-methyleneindolenine), which covalently binds to cellular macromolecules. Members of the CYP2F gene subfamily are selectively expressed in lung tissues and have been implicated as important catalysts in the formation of reactive intermediates from several pneumotoxic chemicals. (PMID: 10383923) [HMDB] 3-Methylene-indolenine is an electrophilic molecule produced by the action of cytochrome P450 2F1 on 3-methylindole (3MI). 3-Methylindole (3MI) is a naturally occurring pulmonary toxin that requires metabolic activation. In particular, 3MI-induced pneumotoxicity arises from cytochrome P-450-catalyzed dehydrogenation of 3MI to an electrophilic methylene imine (3-methyleneindolenine), which covalently binds to cellular macromolecules. Members of the CYP2F gene subfamily are selectively expressed in lung tissues and have been implicated as important catalysts in the formation of reactive intermediates from several pneumotoxic chemicals. (PMID: 10383923).

   

Isoamyl isothiocyanate

1-Isothiocyanato-3-methyl-butane

C6H11NS (129.0612166)


Isoamyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")

   

5-Methoxy-2-methylthiazole

5-methoxy-2-methyl-1,3-thiazole

C5H7NOS (129.02483320000002)


5-Methoxy-2-methylthiazole is a flavouring ingredient. Flavouring ingredient

   

1-Isothiocyanatopentane

1-isothiocyanato-Pentane

C6H11NS (129.0612166)


1-Isothiocyanatopentane is found in brassicas. 1-Isothiocyanatopentane is isolated from Japanese radish (Raphanus sativus var. niger) roots. Isolated from Japanese radish (Raphanus sativus variety niger) roots. 1-Isothiocyanatopentane is found in brassicas.

   

2-Ethoxythiazole

Ethyl 2-thiazolyl ether

C5H7NOS (129.02483320000002)


2-Ethoxythiazole is a flavouring ingredient. Flavouring ingredient

   

dimethadione

4-hydroxy-5,5-dimethyl-2,5-dihydro-1,3-oxazol-2-one

C5H7NO3 (129.0425912)


dimethadione is a metabolite of trimethadione. Trimethadione is an oxazolidinedione anticonvulsant. It is most commonly used to treat epileptic conditions that are resistant to other treatments. (Wikipedia) C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid

(2S,4R)-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO3 (129.0425912)


(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid is also known as 3-Hydroxy-L-1-pyrroline-5-carboxylate. (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid is considered to be soluble (in water) and acidic

   

5-Hydroxy-2-imino-1-methylimidazolidin-4-one

5-Hydroxy-2-imino-1-methylimidazolidin-4-one

C4H7N3O2 (129.0538242)


   

3-Hydroxy-1-methylpyrrolidine-2,5-dione

2,5-Pyrrolidinedione,3-hydroxy-1-methyl-

C5H7NO3 (129.0425912)


   

2,4-Difluoroaniline

2,4-Difluoroaniline hydrochloride

C6H5F2N (129.0390034)


   

4-Oxo-L-proline

4-oxopyrrolidine-2-carboxylic acid

C5H7NO3 (129.0425912)


   

2,4,5-Trimethyl-4,5-dihydrothiazole

2,4,5-trimethyl-4,5-dihydro-1,3-thiazole

C6H11NS (129.0612166)


   

Thiazole, 4,5-dihydro-2,4,4-trimethyl-

2,4,4-trimethyl-4,5-dihydro-1,3-thiazole

C6H11NS (129.0612166)


   

Epigoitrin

5-ethenyl-1,3-oxazolidine-2-thione

C5H7NOS (129.02483320000002)


   

maleimide-thiol

1-Sulphanyl-2,5-dihydro-1H-pyrrole-2,5-dione

C4H3NO2S (128.9884498)


   

1-Methylpyrrole-2,3,5-triol

1-methyl-1H-pyrrole-2,3,5-triol

C5H7NO3 (129.0425912)


   

pyrrolidone carboxylic acid

2-oxopyrrolidine-1-carboxylic acid

C5H7NO3 (129.0425912)


2-Pyrrolidone-5-carboxylic acid (PCA) is a cyclic derivative of glutamic acid, physiologically present in mammalian tissues. It has been shown that PCA releases GABA from the cerebral cortex and displays anti-anxiety effects in a simple approach-avoidance conflict situation in the rat. In clinical pharmacology experiments, PCA significantly shortens the plasma half-life of ethanol during acute intoxication. [HMDB] (R)-5-Oxopyrrolidine-2-carboxylic acid is an endogenous metabolite.

   

(2S)-3,4-Dioxoazetidine-2-carboxylic acid

(2S)-3,4-Dioxoazetidine-2-carboxylic acid

C4H3NO4 (129.0062078)


   

(2S)-6-Oxa-1-azabicyclo[3.1.0]hexane-2-carboxylic acid

(2S)-6-Oxa-1-azabicyclo[3.1.0]hexane-2-carboxylic acid

C5H7NO3 (129.0425912)


   

5-(Methylthio)-pentanonitrile

5-(methylsulfanyl)pentanenitrile

C6H11NS (129.0612166)


5-(methylthio)-pentanonitrile is a member of the class of compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 5-(methylthio)-pentanonitrile can be found in kohlrabi, which makes 5-(methylthio)-pentanonitrile a potential biomarker for the consumption of this food product.

   

5-Ethoxythiazole

5-ethoxy-1,3-thiazole

C5H7NOS (129.02483320000002)


5-ethoxythiazole is a member of the class of compounds known as alkyl aryl ethers. Alkyl aryl ethers are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R , where R is an alkyl group and R is an aryl group. 5-ethoxythiazole is slightly soluble (in water) and a moderately basic compound (based on its pKa). 5-ethoxythiazole can be found in guava, which makes 5-ethoxythiazole a potential biomarker for the consumption of this food product.

   

3-Phenyl-2-propenenitrile

(2Z)-3-phenylprop-2-enenitrile

C9H7N (129.0578462)


3-phenyl-2-propenenitrile is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. 3-phenyl-2-propenenitrile is a cassia, cinnamon, and cumin tasting compound found in fig, which makes 3-phenyl-2-propenenitrile a potential biomarker for the consumption of this food product.

   

L-5-Oxoproline

L-Pyroglutamic acid

C5H7NO3 (129.0425912)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent

   

Goitrin

(5R)-5-ethenyl-1,3-oxazolidine-2-thione

C5H7NOS (129.02483320000002)


5-ethenyl-1,3-oxazolidine-2-thione is a member of the class of oxazolidines that is 1,3-oxazolidine substituted by sulfanylidene and ethenyl groups at positions 2 and 5, respectively. It is a member of oxazolidines and an olefinic compound. DL-Goitrin is a natural product found in Isatis tinctoria with data available. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents D000890 - Anti-Infective Agents > D023303 - Oxazolidinones (R)-goitrin is a 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. It has a role as an antiviral agent and a plant metabolite. It is an enantiomer of a (S)-goitrin. Epigoitrin is a natural product found in Isatis tinctoria, Diplotaxis harra, and other organisms with data available. A 5-ethenyl-1,3-oxazolidine-2-thione that has R-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis. DL-Goitrin, also called (R, S)- report by the spring, consists of the epigoitrin (reported by the R- Spring) and the spring (-S- reported by spring), and the two mutually isomers, and the mixture is the ingredient of cruciferous vegetables[1]. DL-Goitrin, also called (R, S)- report by the spring, consists of the epigoitrin (reported by the R- Spring) and the spring (-S- reported by spring), and the two mutually isomers, and the mixture is the ingredient of cruciferous vegetables[1]. Epigoitrin is a natural alkaloid from Isatis tinctoria, with antiviral activities. Epigoitrin reduces susceptibility to influenza virus via mitochondrial antiviral signaling[1][2]. Epigoitrin is a natural alkaloid from Isatis tinctoria, with antiviral activities. Epigoitrin reduces susceptibility to influenza virus via mitochondrial antiviral signaling[1][2].

   

4-cyanobutyl methyl sulfide|4-Methylthiobutyl cyanide|5-(methylsulfanyl)pentanenitrile|5-(methylthio)-pentanenitrile|5-(methylthio)pentanenitrile|5-(methylthio)pentanonitrile|5-methylsulfanyl-valeronitrile

4-cyanobutyl methyl sulfide|4-Methylthiobutyl cyanide|5-(methylsulfanyl)pentanenitrile|5-(methylthio)-pentanenitrile|5-(methylthio)pentanenitrile|5-(methylthio)pentanonitrile|5-methylsulfanyl-valeronitrile

C6H11NS (129.0612166)


   

Dinitrile-2,6-Pyridinedicarboxylic acid

Dinitrile-2,6-Pyridinedicarboxylic acid

C7H3N3 (129.0326958)


   

1-Thiocyanato-2-hydroxy-3-butene

1-Thiocyanato-2-hydroxy-3-butene

C5H7NOS (129.02483320000002)


   

beta-Hydroxythiiranepropanenitrile

beta-Hydroxythiiranepropanenitrile

C5H7NOS (129.02483320000002)


   

2-methyl-fumaramic acid|2-Methyl-fumaramidsaeure|Mesaconsaeure-alpha-amid

2-methyl-fumaramic acid|2-Methyl-fumaramidsaeure|Mesaconsaeure-alpha-amid

C5H7NO3 (129.0425912)


   
   

Nitrile-(E)-3-Phenyl-2-propenoic acid

Nitrile-(E)-3-Phenyl-2-propenoic acid

C9H7N (129.0578462)


   

(2S,3R)-2-Amino-3-hydroxy-4-pentynoic acid|2(S).3(R)-2-amino-3-hydroxypent-4-ynsaeure

(2S,3R)-2-Amino-3-hydroxy-4-pentynoic acid|2(S).3(R)-2-amino-3-hydroxypent-4-ynsaeure

C5H7NO3 (129.0425912)


   

Nitrile-Et ester-Hydroxypropanedioic acid

Nitrile-Et ester-Hydroxypropanedioic acid

C5H7NO3 (129.0425912)


   

methyl 4-amino-4-oxobut-2-enoate

methyl 4-amino-4-oxobut-2-enoate

C5H7NO3 (129.0425912)


   

2-Methylbutyl isothiocyanate

2-Methylbutyl isothiocyanate

C6H11NS (129.0612166)


   

L-Pyroglutamicacid

L-Pyroglutamic acid

C5H7NO3 (129.0425912)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent

   

D-Pyroglutamic acid

Pyrrolidonecarboxylic acid

C5H7NO3 (129.0425912)


The D-enantiomer of 5-oxoproline. (R)-5-Oxopyrrolidine-2-carboxylic acid is an endogenous metabolite.

   

Pidolic acid

L-Pyroglutamic acid

C5H7NO3 (129.0425912)


   

pyro-Glutamic acid

pyro-Glutamic acid

C5H7NO3 (129.0425912)


   

Pyroglutamic acid

L-Pyroglutamicacid

C5H7NO3 (129.0425912)


   

Pyrroline hydroxycarboxylic acid

Pyrroline hydroxycarboxylic acid

C5H7NO3 (129.0425912)


   

N-Acryloylglycine

N-Acryloylglycine

C5H7NO3 (129.0425912)


   

5-Oxoprolinate

5-Oxopyrrolidine-2-carboxylic acid

C5H7NO3 (129.0425912)


   
   

5-OXO-D-PROLINE

5-OXO-D-PROLINE

C5H7NO3 (129.0425912)


   

5-oxo-L-Proline

5-oxo-L-Proline

C5H7NO3 (129.0425912)


An optically active form of 5-oxoproline having L-configuration.

   

L-Pyroglutamic acid

L-Pyroglutamic acid

C5H7NO3 (129.0425912)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ODHCTXKNWHHXJC-VKHMYHEASA-N_STSL_0190_2-Pyrrolidone-5-carboxylic acid_2000fmol_180831_S2_L02M02_41; 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.

   

Pyroglutamic acid (Not validated)

Pyroglutamic acid (Not validated)

C5H7NO3 (129.0425912)


Annotation level-2

   

Pyroglutamic acid (not validated, isomer of 89)

Pyroglutamic acid (not validated, isomer of 89)

C5H7NO3 (129.0425912)


Annotation level-3

   

Pyroglutamic acid (not validated, isomer of 88)

Pyroglutamic acid (not validated, isomer of 88)

C5H7NO3 (129.0425912)


Annotation level-2

   
   

Pyroglutamic acid; LC-tDDA; CE10

Pyroglutamic acid; LC-tDDA; CE10

C5H7NO3 (129.0425912)


   

Pyroglutamic acid; LC-tDDA; CE20

Pyroglutamic acid; LC-tDDA; CE20

C5H7NO3 (129.0425912)


   

Pyroglutamic acid; LC-tDDA; CE30

Pyroglutamic acid; LC-tDDA; CE30

C5H7NO3 (129.0425912)


   

5-Fluorocytosine; AIF; CE0; CorrDec

5-Fluorocytosine; AIF; CE0; CorrDec

C4H4FN3O (129.0338386)


   

5-Fluorocytosine; AIF; CE10; CorrDec

5-Fluorocytosine; AIF; CE10; CorrDec

C4H4FN3O (129.0338386)


   

5-Fluorocytosine; AIF; CE30; CorrDec

5-Fluorocytosine; AIF; CE30; CorrDec

C4H4FN3O (129.0338386)


   

5-Fluorocytosine; AIF; CE0; MS2Dec

5-Fluorocytosine; AIF; CE0; MS2Dec

C4H4FN3O (129.0338386)


   

5-Fluorocytosine; AIF; CE10; MS2Dec

5-Fluorocytosine; AIF; CE10; MS2Dec

C4H4FN3O (129.0338386)


   

5-Fluorocytosine; AIF; CE30; MS2Dec

5-Fluorocytosine; AIF; CE30; MS2Dec

C4H4FN3O (129.0338386)


   

Quinoline; AIF; CE0; CorrDec

Quinoline; AIF; CE0; CorrDec

C9H7N (129.0578462)


   

Quinoline; AIF; CE10; CorrDec

Quinoline; AIF; CE10; CorrDec

C9H7N (129.0578462)


   

Quinoline; AIF; CE30; CorrDec

Quinoline; AIF; CE30; CorrDec

C9H7N (129.0578462)


   

Quinoline; AIF; CE0; MS2Dec

Quinoline; AIF; CE0; MS2Dec

C9H7N (129.0578462)


   

Quinoline; AIF; CE30; MS2Dec

Quinoline; AIF; CE30; MS2Dec

C9H7N (129.0578462)


   

Quinoline; LC-tDDA; CE10

Quinoline; LC-tDDA; CE10

C9H7N (129.0578462)


   

Quinoline; LC-tDDA; CE20

Quinoline; LC-tDDA; CE20

C9H7N (129.0578462)


   

Quinoline; LC-tDDA; CE30

Quinoline; LC-tDDA; CE30

C9H7N (129.0578462)


   

Quinoline; LC-tDDA; CE40

Quinoline; LC-tDDA; CE40

C9H7N (129.0578462)


   

Pyroglutamate

L-Pyroglutamicacid

C5H7NO3 (129.0425912)


   

Oxoproline

D-Pyroglutamic acid

C5H7NO3 (129.0425912)


(R)-5-Oxopyrrolidine-2-carboxylic acid is an endogenous metabolite.

   

3-Methyleneindolenine

3-Methylene-indolenine

C9H7N (129.0578462)


An indole that consists of 3H-indole bearing a methylene substituent at position 3.

   

isoamyl isothiocyanate

1-Isothiocyanato-3-methyl-butane

C6H11NS (129.0612166)


   

Acetylthiazoline

1-(4,5-dihydro-1,3-thiazol-2-yl)ethan-1-one

C5H7NOS (129.02483320000002)


   

FEMA 3192

5-methoxy-2-methyl-1,3-thiazole

C5H7NOS (129.02483320000002)


   

pentyl isothiocyanate

1-isothiocyanato-Pentane

C6H11NS (129.0612166)


   

2,4,5-Trimethyl-3-thiazoline

2,4,5-trimethyl-2,5-dihydro-1,3-thiazole

C6H11NS (129.0612166)


   

FEMA 3340

Ethyl 2-thiazolyl ether

C5H7NOS (129.02483320000002)


   

2,4-Pentanedione, 3-nitroso- (9CI)

2,4-Pentanedione, 3-nitroso- (9CI)

C5H7NO3 (129.0425912)


   

4-ethyl-2-methyl-4,5-dihydrothiazole

4-ethyl-2-methyl-4,5-dihydrothiazole

C6H11NS (129.0612166)


   

Isoamy sulfocyanate

Isoamy sulfocyanate

C6H11NS (129.0612166)


   

2-Methyl-1,3-oxazole-4-carboxylic acid

2-Methyl-1,3-oxazole-4-carboxylic acid

C5H7NO3 (129.0425912)


   

1,1,1-TRIFLUORONITROETHANE

1,1,1-TRIFLUORONITROETHANE

C2H2F3NO2 (129.0037628)


   

2-isothiocyanatopentane

2-isothiocyanatopentane

C6H11NS (129.0612166)


   
   
   

6-Chloro-4-pyridazinamine

6-Chloro-4-pyridazinamine

C4H4ClN3 (129.0093734)


   

2-Amino-5-fluoro-1H-pyrimidin-4-one

2-Amino-5-fluoro-1H-pyrimidin-4-one

C4H4FN3O (129.0338386)


   
   

Ethyl azidoacetate

Ethyl azidoacetate

C4H7N3O2 (129.0538242)


   
   

3,4-Difluoroaniline

3,4-Difluoroaniline

C6H5F2N (129.0390034)


   

4-CYANOSTYRENE

4-CYANOSTYRENE

C9H7N (129.0578462)


   

1,2,4-oxadiazole-3-carbothioamide

1,2,4-oxadiazole-3-carbothioamide

C3H3N3OS (128.99968280000002)


   

Cinnamonitrile

Cinnamonitrile

C9H7N (129.0578462)


   

3,5-Difluoroaniline

3,5-Difluoroaniline

C6H5F2N (129.0390034)


   

3-Chloropropylamine hydrochloride

3-Chloropropylamine hydrochloride

C3H9Cl2N (129.0112014)


   
   

ALPHA-AZIDOISOBUTYRIC ACID SOLUTION

ALPHA-AZIDOISOBUTYRIC ACID SOLUTION

C4H7N3O2 (129.0538242)


   

2-amino-5-ethyl-1,3,4-thiadiazole

2-amino-5-ethyl-1,3,4-thiadiazole

C4H7N3S (129.0360662)


   

3-Methyl-2-butyl isothiocyanate

3-Methyl-2-butyl isothiocyanate

C6H11NS (129.0612166)


   

3-PENTYL ISOTHIOCYANATE

3-PENTYL ISOTHIOCYANATE

C6H11NS (129.0612166)


   

5-Amino-2-chloropyrimidine

5-Amino-2-chloropyrimidine

C4H4ClN3 (129.0093734)


   
   

2,6-Pyridinedicarbonitrile

2,6-Pyridinedicarbonitrile

C7H3N3 (129.0326958)


   

aniline,hydrochloride

aniline,hydrochloride

C6H8ClN (129.0345238)


   
   

2-AMINO-4-HYDROXY-6-FLUOROPYRIMIDINE

2-AMINO-4-HYDROXY-6-FLUOROPYRIMIDINE

C4H4FN3O (129.0338386)


   

(2S)-3-AMINO-1,1,1-TRIFLUORO-2-PROPANOL

(2S)-3-AMINO-1,1,1-TRIFLUORO-2-PROPANOL

C3H6F3NO (129.04014619999998)


   

2-Amino-5-chloropyrazine

2-Amino-5-chloropyrazine

C4H4ClN3 (129.0093734)


   
   
   

2-AMINO-3-CHLOROPYRAZINE

2-AMINO-3-CHLOROPYRAZINE

C4H4ClN3 (129.0093734)


   

Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile

C9H7N (129.0578462)


   

3-Aminofurazan-4-carboxylic acid

3-Aminofurazan-4-carboxylic acid

C3H3N3O3 (129.0174408)


   

2-Amino-4-chloropyrimidine

2-Amino-4-chloropyrimidine

C4H4ClN3 (129.0093734)


   
   

4-Amino-6-chloropyrimidine

4-Amino-6-chloropyrimidine

C4H4ClN3 (129.0093734)


   

5-Chloropyridazin-4-amine

5-Chloropyridazin-4-amine

C4H4ClN3 (129.0093734)


   

1-(2-CHLOROETHYL)-1H-PYRROLE

1-(2-CHLOROETHYL)-1H-PYRROLE

C6H8ClN (129.0345238)


   

2H-Azepine-2-thione,hexahydro-

2H-Azepine-2-thione,hexahydro-

C6H11NS (129.0612166)


   

(2S)-2-isothiocyanato-3-methylbutane

(2S)-2-isothiocyanato-3-methylbutane

C6H11NS (129.0612166)


   
   

5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxylic acid

5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxylic acid

C3H3N3O3 (129.0174408)


   

5-Isothiazolecarboxylic acid

5-Isothiazolecarboxylic acid

C4H3NO2S (128.9884498)


   

3,3-Difluorazetidinhydrochlorid(1:1)

3,3-Difluorazetidinhydrochlorid(1:1)

C3H6ClF2N (129.015681)


   

Isothiazole-3-carboxylic acid

Isothiazole-3-carboxylic acid

C4H3NO2S (128.9884498)


   

2,2-Difluorocyclopropanamine hydrochloride

2,2-Difluorocyclopropanamine hydrochloride

C3H6ClF2N (129.015681)


   

2-Butenoic acid,4-(methylamino)-4-oxo-, (2Z)-

2-Butenoic acid,4-(methylamino)-4-oxo-, (2Z)-

C5H7NO3 (129.0425912)


   

chlorodifluoroacetamide

chlorodifluoroacetamide

C2H2ClF2NO (128.9792976)


   

5-amino-3-ethyl-1,2,4-thiadiazole

5-amino-3-ethyl-1,2,4-thiadiazole

C4H7N3S (129.0360662)


   

3-Chloropyridazin-4-amine

3-Chloropyridazin-4-amine

C4H4ClN3 (129.0093734)


   
   
   

1-(4-METHYL-1,2,3-THIADIAZOL-5-YL)METHANAMINE

1-(4-METHYL-1,2,3-THIADIAZOL-5-YL)METHANAMINE

C4H7N3S (129.0360662)


   

4-Ethyl-4H-1,2,4-Triazole-3-Thiol

4-Ethyl-4H-1,2,4-Triazole-3-Thiol

C4H7N3S (129.0360662)


   

3-Isoxazolecarboxylicacid,4-hydroxy-(9CI)

3-Isoxazolecarboxylicacid,4-hydroxy-(9CI)

C4H3NO4 (129.0062078)


   

2-OXAZOLIDINONE, 3-ACETYL-

2-OXAZOLIDINONE, 3-ACETYL-

C5H7NO3 (129.0425912)


   
   
   

3-Amino-6-chloropyridazine

3-Amino-6-chloropyridazine

C4H4ClN3 (129.0093734)


   

5-AMINO-[1,3,4]THIADIAZOLE-2-CARBALDEHYDE

5-AMINO-[1,3,4]THIADIAZOLE-2-CARBALDEHYDE

C3H3N3OS (128.99968280000002)


   

Thiazole-2-carboxylic acid

Thiazole-2-carboxylic acid

C4H3NO2S (128.9884498)


   
   

(2-methylthiazol-4-yl)methanol

(2-methylthiazol-4-yl)methanol

C5H7NOS (129.02483320000002)


   

3-(Difluoromethyl)pyridine

3-(Difluoromethyl)pyridine

C6H5F2N (129.0390034)


   

DI(PROP-2-YN-1-YL)AMINE HYDROCHLORIDE

DI(PROP-2-YN-1-YL)AMINE HYDROCHLORIDE

C6H8ClN (129.0345238)


   
   

1-carboxycyclopropanecarboxamide

1-carboxycyclopropanecarboxamide

C5H7NO3 (129.0425912)


   

PYRIDINE-2,4-DICARBONITRILE

PYRIDINE-2,4-DICARBONITRILE

C7H3N3 (129.0326958)


   

Anilinium chloride

Anilinium chloride

C6H8ClN (129.0345238)


   

1,2,4-triazin-5-ol, 3-mercapto-

1,2,4-triazin-5-ol, 3-mercapto-

C3H3N3OS (128.99968280000002)


   

1-Methylpyridinium chloride

1-Methylpyridinium chloride

C6H8ClN (129.0345238)


   

5-chlorpyrimidin-2-amin

5-chlorpyrimidin-2-amin

C4H4ClN3 (129.0093734)


   
   

2(3H)-Oxazolethione,4,5-dimethyl-

2(3H)-Oxazolethione,4,5-dimethyl-

C5H7NOS (129.02483320000002)


   

5-Oxo-3-pyrrolidinecarboxylic acid

5-Oxo-3-pyrrolidinecarboxylic acid

C5H7NO3 (129.0425912)


   

3-AMINO-N,N-DIMETHYL-PROPIONAMIDE

3-AMINO-N,N-DIMETHYL-PROPIONAMIDE

C4H7N3S (129.0360662)


   

(2-methyl-1,3-thiazol-5-yl)-methanol

(2-methyl-1,3-thiazol-5-yl)-methanol

C5H7NOS (129.02483320000002)


   

Thiazol-4-ylboronic acid

Thiazol-4-ylboronic acid

C3H4BNO2S (129.0055794)


   

5-Chloro-4-pyrimidinamine

5-Chloro-4-pyrimidinamine

C4H4ClN3 (129.0093734)


   

1,2-Thiazole-4-carboxylic acid

1,2-Thiazole-4-carboxylic acid

C4H3NO2S (128.9884498)


   

2,3-Difluoroaniline

2,3-Difluoroaniline

C6H5F2N (129.0390034)


   

2,3,4-Pentanetrione,3-oxime

2,3,4-Pentanetrione,3-oxime

C5H7NO3 (129.0425912)


   

3-AMINO-1,1,1-TRIFLUORO-2-PROPANOL

3-AMINO-1,1,1-TRIFLUORO-2-PROPANOL

C3H6F3NO (129.04014619999998)


   
   

1,3-Thiazol-5-ylboronic acid

1,3-Thiazol-5-ylboronic acid

C3H4BNO2S (129.0055794)


   

2-oxopyrrolidine-3-carboxylic acid

2-oxopyrrolidine-3-carboxylic acid

C5H7NO3 (129.0425912)


   

2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one

2,4-Dihydro-5-methoxy-4-methyl-3H-1,2,4-triazol-3-one

C4H7N3O2 (129.0538242)


   

5-Thiazolecarboxylic acid

5-Thiazolecarboxylic acid

C4H3NO2S (128.9884498)


   

2,3-Dicyanopyridine

2,3-Dicyanopyridine

C7H3N3 (129.0326958)


   

AMINOCYCLOPENTYLMETHANE-1-THIONE

AMINOCYCLOPENTYLMETHANE-1-THIONE

C6H11NS (129.0612166)


   

2,6-Difluoroaniline

2,6-Difluoroaniline

C6H5F2N (129.0390034)


   

isocyanatomethyl(trimethyl)silane

isocyanatomethyl(trimethyl)silane

C5H11NOSi (129.0609876)


   

3-Methyl-4,5-dihydro-5-isoxazolecarboxylic acid

3-Methyl-4,5-dihydro-5-isoxazolecarboxylic acid

C5H7NO3 (129.0425912)


   

DL-Pyroglutamic acid

5-Oxopyrrolidine-2-carboxylic acid

C5H7NO3 (129.0425912)


DL-Pyroglutamic acid (CAE) as an inactivator of hepatitis B surface, inactivates vaccinia virus, herpes simplex virus, and influenza virus except poliovirus. DL-Pyroglutamic acid is also a possible inhibitor of GABA transaminase, increases GABA amount with antiepileptic action[1][2]. DL-Pyroglutamic acid (CAE) as an inactivator of hepatitis B surface, inactivates vaccinia virus, herpes simplex virus, and influenza virus except poliovirus. DL-Pyroglutamic acid is also a possible inhibitor of GABA transaminase, increases GABA amount with antiepileptic action[1][2].

   

PROPYLENENITROSOUREA

PROPYLENENITROSOUREA

C4H7N3O2 (129.0538242)


   

(5-methyl-1,3,4-thiadiazol-2-yl)methanamine

(5-methyl-1,3,4-thiadiazol-2-yl)methanamine

C4H7N3S (129.0360662)


   

2-BROMOPROPANE-D7

2-BROMOPROPANE-D7

C3BrD7 (129.017048446)


   

2-BROMO-4-ETHOXYMETHYL-PYRIDINE

2-BROMO-4-ETHOXYMETHYL-PYRIDINE

C6H8ClN (129.0345238)


   

N-amyl thiocyanate

N-amyl thiocyanate

C6H11NS (129.0612166)


   

4-METHYLTHIAZOLE-2,5-DIAMINE

4-METHYLTHIAZOLE-2,5-DIAMINE

C4H7N3S (129.0360662)


   

Thiazole-4-carboxylic acid

1,3-Thiazole-4-carboxylic acid

C4H3NO2S (128.9884498)


   

6-chlorpyrazin-2-amin

2-Amino-6-chloropyrazine

C4H4ClN3 (129.0093734)


   

3-Oxo-2,3-dihydro-1,2-oxazole-5-carboxylic acid

3-Oxo-2,3-dihydro-1,2-oxazole-5-carboxylic acid

C4H3NO4 (129.0062078)


   

(S)-(-)-2-HYDROXY-N-METHYLSUCCINIMIDE

(S)-(-)-2-HYDROXY-N-METHYLSUCCINIMIDE

C5H7NO3 (129.0425912)


   

(R)-(-)-3-Methyl-2-Butyl Isothiocyanate

(R)-(-)-3-Methyl-2-Butyl Isothiocyanate

C6H11NS (129.0612166)


   
   

4-Acetoxy-2-azetidinone

4-Acetoxy-2-azetidinone

C5H7NO3 (129.0425912)


   

3,4-Pyridinedicarbonitrile

3,4-Pyridinedicarbonitrile

C7H3N3 (129.0326958)


   

1,2,4-Triazin-3(2H)-one,4,5-dihydro-5-thioxo-

1,2,4-Triazin-3(2H)-one,4,5-dihydro-5-thioxo-

C3H3N3OS (128.99968280000002)


   

N-Cyano-N,S-dimethylisothiourea

N-Cyano-N,S-dimethylisothiourea

C4H7N3S (129.0360662)


   

Potassium tricyanomethanide

Potassium tricyanomethanide

C4KN3 (128.97293)


   

N-hydroxymethylsuccinimide

N-hydroxymethylsuccinimide

C5H7NO3 (129.0425912)


   

1H-1,2,4-Triazol-3-amine,5-nitro-

1H-1,2,4-Triazol-3-amine,5-nitro-

C2H3N5O2 (129.0286738)


   

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4,5-dimethyl-

3H-1,2,4-Triazole-3-thione,2,4-dihydro-4,5-dimethyl-

C4H7N3S (129.0360662)


   

1H-Imidazole,4,5-dihydro-2-(nitromethyl)-(9CI)

1H-Imidazole,4,5-dihydro-2-(nitromethyl)-(9CI)

C4H7N3O2 (129.0538242)


   

3-(ISOCYANATO)PROPYL-FUNCTIONALIZED SILICA GEL

3-(ISOCYANATO)PROPYL-FUNCTIONALIZED SILICA GEL

C4H7NO2Si (129.0246042)


   
   

3-(Methylthio)-1H-pyrazol-5-amine

3-(Methylthio)-1H-pyrazol-5-amine

C4H7N3S (129.0360662)


   

4-Chloropyrimidin-5-amine

4-Chloropyrimidin-5-amine

C4H4ClN3 (129.0093734)


   

2-Acetamidoacrylic acid

2-Acetamidoacrylic acid

C5H7NO3 (129.0425912)


   

(4-Methyl-1,3-thiazol-2-yl)methanol

(4-Methyl-1,3-thiazol-2-yl)methanol

C5H7NOS (129.02483320000002)


   

3-Chloropyrazin-2-amine

3-Chloropyrazin-2-amine

C4H4ClN3 (129.0093734)


   

2-IMINO-5-METHYLTHIAZOL-3(2H)-AMINE

2-IMINO-5-METHYLTHIAZOL-3(2H)-AMINE

C4H7N3S (129.0360662)


   

1,3-Thiazol-2-ylboronic acid

1,3-Thiazol-2-ylboronic acid

C3H4BNO2S (129.0055794)


   

(3S)-5-Oxo-3-pyrrolidinecarboxylic acid

(3S)-5-Oxo-3-pyrrolidinecarboxylic acid

C5H7NO3 (129.0425912)


   
   

2-Chloro-4-pyrimidinamine

2-Chloro-4-pyrimidinamine

C4H4ClN3 (129.0093734)


   

2,2,2-Trifluoroethanethioamide

2,2,2-Trifluoroethanethioamide

C2H2F3NS (128.9860048)


   

Methyl 3-isocyanatopropionate

Methyl 3-isocyanatopropionate

C5H7NO3 (129.0425912)


   

3H-1,2,4-Triazole-3-thione,5-ethyl-1,2-dihydro-(9CI)

3H-1,2,4-Triazole-3-thione,5-ethyl-1,2-dihydro-(9CI)

C4H7N3S (129.0360662)


   

Cyanuric Acid-13C3

Cyanuric Acid-13C3

C3H3N3O3 (129.0174408)


   

2,5-DICYANOPYRIDINE

2,5-DICYANOPYRIDINE

C7H3N3 (129.0326958)


   

N-Methyl-β-chloroethylamine hydrochloride

N-Methyl-β-chloroethylamine hydrochloride

C3H9Cl2N (129.0112014)


   

2(1H)-Pyrimidinone,4-amino-6-fluoro-

2(1H)-Pyrimidinone,4-amino-6-fluoro-

C4H4FN3O (129.0338386)


   

methyl 2-formamidoprop-2-enoate

methyl 2-formamidoprop-2-enoate

C5H7NO3 (129.0425912)


   

5-Thiazolemethanamine,2-amino-(9CI)

5-Thiazolemethanamine,2-amino-(9CI)

C4H7N3S (129.0360662)


   

1,3,4-Thiadiazol-2-amine,N-ethyl-

1,3,4-Thiadiazol-2-amine,N-ethyl-

C4H7N3S (129.0360662)


   

1H-Imidazole-4-carboxylicacid,2-amino-4,5-dihydro-(9CI)

1H-Imidazole-4-carboxylicacid,2-amino-4,5-dihydro-(9CI)

C4H7N3O2 (129.0538242)


   

2-propyl-4,5-dihydro-1,3-thiazole

2-propyl-4,5-dihydro-1,3-thiazole

C6H11NS (129.0612166)


   

2,5-Difluoroaniline

2,5-Difluoroaniline

C6H5F2N (129.0390034)


   

3,5-pyridinedicarbonitrile

3,5-pyridinedicarbonitrile

C7H3N3 (129.0326958)


   

1-amino-4-methyl-1H-imidazole-2-thiol

1-amino-4-methyl-1H-imidazole-2-thiol

C4H7N3S (129.0360662)


   

(5-METHOXY-1H-INDOL-3-YL)-ACETICACIDHYDRAZIDE

(5-METHOXY-1H-INDOL-3-YL)-ACETICACIDHYDRAZIDE

C5H7NOS (129.02483320000002)


   

(4-methyl-thiazol-2-yl)-hydrazine

(4-methyl-thiazol-2-yl)-hydrazine

C4H7N3S (129.0360662)


   

2-butylsulfanylacetonitrile

2-butylsulfanylacetonitrile

C6H11NS (129.0612166)


   
   

Ethyl N-(oxomethylene)glycinate

Ethyl N-(oxomethylene)glycinate

C5H7NO3 (129.0425912)


   

Thiazole,4,5-dihydro-2,4,5-trimethyl-, (4R,5S)-rel-

Thiazole,4,5-dihydro-2,4,5-trimethyl-, (4R,5S)-rel-

C6H11NS (129.0612166)


   

5-METHYLTHIAZOLE-2,4-DIAMINE

5-METHYLTHIAZOLE-2,4-DIAMINE

C4H7N3S (129.0360662)


   

3-Hydroxyisoxazole-4-carboxylic acid

3-Hydroxyisoxazole-4-carboxylic acid

C4H3NO4 (129.0062078)


   

2-Furancarboxylicacid,4-amino-4,5-dihydro-,(R)-(9ci)

2-Furancarboxylicacid,4-amino-4,5-dihydro-,(R)-(9ci)

C5H7NO3 (129.0425912)


   

(Z)-3-Phenylacrylonitrile

(Z)-3-Phenylacrylonitrile

C9H7N (129.0578462)


   

Thiazole, 4,5-dihydro-2,4,4-trimethyl-

Thiazole, 4,5-dihydro-2,4,4-trimethyl-

C6H11NS (129.0612166)


   

pyrrolidone carboxylic acid

pyrrolidone carboxylic acid

C5H7NO3 (129.0425912)


   

5-(2-Hydroxyethyl)-1,3-thiazole

5-(2-Hydroxyethyl)-1,3-thiazole

C5H7NOS (129.02483320000002)


   
   

(S)-4-hydroxy-1-pyrroline-2-carboxylic acid

(S)-4-hydroxy-1-pyrroline-2-carboxylic acid

C5H7NO3 (129.0425912)


A 4-hydroxy-1-pyrroline-2-carboxylic acid in which the 4-hydroxy group has S-configuration.

   

dimethadione

5,5-Dimethyloxazolidine-2,4-dione

C5H7NO3 (129.0425912)


C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants

   

Leucol

InChI=1\C9H7N\c1-2-6-9-8(4-1)5-3-7-10-9\h1-7

C9H7N (129.0578462)


   

59121-25-4

5-(methylsulfanyl)pentanenitrile

C6H11NS (129.0612166)


   

628-03-5

Butane, 1-isothiocyanato-3-methyl-

C6H11NS (129.0612166)


   

629-12-9

1-Isothiocyanatopentane

C6H11NS (129.0612166)


   

Psidiolic acid

L-Pyroglutamicacid

C5H7NO3 (129.0425912)


Pyroglutamic acid, also known as pyroglutamate or (-)-2-pyrrolidone-5-carboxylic acid, belongs to alpha amino acids and derivatives class of compounds. Those are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Pyroglutamic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Pyroglutamic acid can be found in a number of food items such as sesame, mexican groundcherry, sorghum, and breakfast cereal, which makes pyroglutamic acid a potential biomarker for the consumption of these food products. Pyroglutamic acid can be found primarily in most biofluids, including blood, feces, urine, and saliva, as well as in human brain, prostate and skin tissues. Pyroglutamic acid exists in all eukaryotes, ranging from yeast to humans. In humans, pyroglutamic acid is involved in the glutathione metabolism. Pyroglutamic acid is also involved in several metabolic disorders, some of which include 5-Oxoprolinuria, gamma-glutamyltransferase deficiency, gamma-glutamyl-transpeptidase deficiency, and glutathione synthetase deficiency. Moreover, pyroglutamic acid is found to be associated with schizophrenia, glutathione synthetase deficiency, and 5-oxoprolinase deficiency. Pyroglutamic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound.

   

2-Amino-5-hydroxy-1-methylimidazol-4(5H)-one

2-Amino-5-hydroxy-1-methylimidazol-4(5H)-one

C4H7N3O2 (129.0538242)


   

(S)-3-methyl-2-oxovalerate

(S)-3-methyl-2-oxovalerate

C6H9O3- (129.05516640000002)


The conjugate base of (S)-3-methyl-2-oxopentanoic acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Acetylpyruvate

Acetylpyruvate

C5H5O4- (129.018783)


   

alpha-Ketoisocaproate

alpha-Ketoisocaproate

C6H9O3- (129.05516640000002)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

6-Oxohexanoate

6-Oxohexanoate

C6H9O3- (129.05516640000002)


A straight-chain fatty acid anion and the conjugate base of 6-oxohexanoic acid, formed by deprotonation of the carboxylic acid group.

   

2,5-Dioxopentanoate

2,5-Dioxopentanoate

C5H5O4- (129.018783)


   

Iminoaspartate

Iminoaspartate

C4H3NO4-2 (129.0062078)


D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids

   

5-Oxohexanoate

5-Oxohexanoate

C6H9O3- (129.05516640000002)


An oxo fatty acid anion that is the conjugate base of 5-oxohexanoic acid, arising from deprotonation of the carboxy group.

   

2-Oxohexanoate

2-Oxohexanoate

C6H9O3- (129.05516640000002)


A medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid.

   

4-Methyl-3-oxopentanoate

4-Methyl-3-oxopentanoate

C6H9O3- (129.05516640000002)


The monocarboxylic acid anion formed from 3-oxo-4-methylpentanoic acid; principal microspecies at pH 7.3.

   
   

4,5-Dioxopentanoate

4,5-Dioxopentanoate

C5H5O4- (129.018783)


   

(S)-alpha-hydroxyglutarate-gamma-lactone

(S)-alpha-hydroxyglutarate-gamma-lactone

C5H5O4- (129.018783)


   
   

(S)-4-amino-4,5-dihydro-2-furancarboxylate

(S)-4-amino-4,5-dihydro-2-furancarboxylate

C5H7NO3 (129.0425912)


   
   

4-Oxopyrrolidinium-2-carboxylate

4-Oxopyrrolidinium-2-carboxylate

C5H7NO3 (129.0425912)


   

(2S)-4-oxopyrrolidin-1-ium-2-carboxylate

(2S)-4-oxopyrrolidin-1-ium-2-carboxylate

C5H7NO3 (129.0425912)


   

(3S)-1,2-diazinane-3-carboxylate

(3S)-1,2-diazinane-3-carboxylate

C5H9N2O2- (129.0663994)


   

Penam

Penam

C5H7NOS (129.02483320000002)


Compound comprising a beta-lactam ring fused to a saturated 5-membered ring containing one sulfur atom. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002969 - Clavulanic Acids D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

(3R)-3-hydroxy-4,5-epithiopentyl nitrile

(3R)-3-hydroxy-4,5-epithiopentyl nitrile

C5H7NOS (129.02483320000002)


   

(2R)-piperazine-2-carboxylate

(2R)-piperazine-2-carboxylate

C5H9N2O2- (129.0663994)


   

alpha-Azaniumylglutarimide

alpha-Azaniumylglutarimide

C5H9N2O2+ (129.0663994)


   

L-beta-ethynylserine zwitterion

L-beta-ethynylserine zwitterion

C5H7NO3 (129.0425912)


An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-beta-ethynylserine. The major species at pH 7.3.

   

[(S)-2-Hydroxy-3-butenyl] isothiocyanate

[(S)-2-Hydroxy-3-butenyl] isothiocyanate

C5H7NOS (129.02483320000002)


   

(2R,4S)-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

(2R,4S)-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO3 (129.0425912)


   

(2S)-piperazine-2-carboxylate

(2S)-piperazine-2-carboxylate

C5H9N2O2- (129.0663994)


   

3-[(E)-but-1-en-3-ynyl]pyridine

3-[(E)-but-1-en-3-ynyl]pyridine

C9H7N (129.0578462)


   
   
   

carbathion

Metam-sodium

C2H4NNaS2 (128.9682864)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D016573 - Agrochemicals D010575 - Pesticides

   

ISOQUINOLINE

ISOQUINOLINE

C9H7N (129.0578462)


   

1-Pyrroline-4-hydroxy-2-carboxylate

1-Pyrroline-4-hydroxy-2-carboxylate

C5H7NO3 (129.0425912)


   

(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid

(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid

C5H7NO3 (129.0425912)


   

4-oxo-L-proline

4-oxo-L-proline

C5H7NO3 (129.0425912)


The L-enantiomer of 4-oxoproline.

   

5-(methylsulfanyl)pentanenitrile

5-(methylsulfanyl)pentanenitrile

C6H11NS (129.0612166)


   

4-Methyl-2-oxopentanoate

4-Methyl-2-oxopentanoate

C6H9O3 (129.05516640000002)


A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.

   
   

4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid

C5H7NO3 (129.0425912)


   
   

5-Oxoproline

5-Oxoproline

C5H7NO3 (129.0425912)


An oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle.

   

4-oxoproline zwitterion

4-oxoproline zwitterion

C5H7NO3 (129.0425912)


An amino acid zwitterion obtained from 4-oxoproline by transfer of a proton from the alpha-carboxy group to the amino group; major species at pH 7.3.

   

4-oxo-L-proline zwitterion

4-oxo-L-proline zwitterion

C5H7NO3 (129.0425912)


An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 4-oxo-L-proline; major species at pH 7.3.

   

(R)-piperazine-2-carboxylate

(R)-piperazine-2-carboxylate

C5H9N2O2 (129.0663994)


Conjugate base of (R)-piperazine-2-carboxylic acid.

   

(3S,5R)-1-pyrroline-3-hydroxy-5-carboxylic acid

(3S,5R)-1-pyrroline-3-hydroxy-5-carboxylic acid

C5H7NO3 (129.0425912)


   

(S)-piperazine-2-carboxylate

(S)-piperazine-2-carboxylate

C5H9N2O2 (129.0663994)


An alpha-amino-acid anion that is the conjugate base of piperazine-2-carboxylic acid.

   

L-beta-ethynylserine

L-beta-ethynylserine

C5H7NO3 (129.0425912)


A non-proteinogenic L-alpha-amino acid that is L-propargylglycine which is carrying a hydroxy group at the 3R position.

   

(S)-goitrin

(S)-goitrin

C5H7NOS (129.02483320000002)


A 5-ethenyl-1,3-oxazolidine-2-thione that has S-configuration. It is a constituent of a traditional Chinese herbal medicine, Radix isatidis.

   

3-methyl-2-oxovalerate

3-methyl-2-oxovalerate

C6H9O3 (129.05516640000002)


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3.

   

4-Hydroxy-1-pyrroline-2-carboxylic acid

4-Hydroxy-1-pyrroline-2-carboxylic acid

C5H7NO3 (129.0425912)


A 1-pyrrolinecarboxylic acid having a hydroxy substituent at the 4-position.

   

1-pyrroline-3-hydroxy-5-carboxylic acid

1-pyrroline-3-hydroxy-5-carboxylic acid

C5H7NO3 (129.0425912)


   

Iminoaspartate

Iminoaspartate

C4H3NO4 (129.0062078)


Dicarboxylate anion arising from deprotonation of both carboxylic acid groups of iminoaspartic acid.

   

Pyrrolinehydroxycarboxylate

Pyrrolinehydroxycarboxylate

C5H7NO3 (129.0425912)