Exact Mass: 135.0044

Exact Mass Matches: 135.0044

Found 252 metabolites which its exact mass value is equals to given mass value 135.0044, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

S-Methylcysteine

S-Methyl-L-cysteine, substrate for methionine sulfoxide reductase A

C4H9NO2S (135.0354)


S-methylcysteine is a cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group. It has a role as a human urinary metabolite and a plant metabolite. It is a tautomer of a S-methylcysteine zwitterion. S-Methyl-L-cysteine is a natural product that acts as a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA), with antioxidative, neuroprotective, and anti-obesity activities.

   

Homocysteine

(2S)-2-amino-4-sulfanylbutanoic acid

C4H9NO2S (135.0354)


A high level of blood serum homocysteine is a powerful risk factor for cardiovascular disease. Unfortunately, one study which attempted to decrease the risk by lowering homocysteine was not fruitful. This study was conducted on nearly 5000 Norwegian heart attack survivors who already had severe, late-stage heart disease. No study has yet been conducted in a preventive capacity on subjects who are in a relatively good state of health.; Elevated levels of homocysteine have been linked to increased fractures in elderly persons. The high level of homocysteine will auto-oxidize and react with reactive oxygen intermediates and damage endothelial cells and has a higher risk to form a thrombus. Homocysteine does not affect bone density. Instead, it appears that homocysteine affects collagen by interfering with the cross-linking between the collagen fibers and the tissues they reinforce. Whereas the HOPE-2 trial showed a reduction in stroke incidence, in those with stroke there is a high rate of hip fractures in the affected side. A trial with 2 homocysteine-lowering vitamins (folate and B12) in people with prior stroke, there was an 80\\\\\\% reduction in fractures, mainly hip, after 2 years. Interestingly, also here, bone density (and the number of falls) were identical in the vitamin and the placebo groups.; Homocysteine is a sulfur-containing amino acid that arises during methionine metabolism. Although its concentration in plasma is only about 10 micromolar (uM), even moderate hyperhomocysteinemia is associated with increased incidence of cardiovascular disease and Alzheimers disease. Elevations in plasma homocysteine are commonly found as a result of vitamin deficiencies, polymorphisms of enzymes of methionine metabolism, and renal disease. Pyridoxal, folic acid, riboflavin, and Vitamin B(12) are all required for methionine metabolism, and deficiency of each of these vitamins result in elevated plasma homocysteine. A polymorphism of methylenetetrahydrofolate reductase (C677T), which is quite common in most populations with a homozygosity rate of 10-15 \\\\\\%, is associated with moderate hyperhomocysteinemia, especially in the context of marginal folate intake. Plasma homocysteine is inversely related to plasma creatinine in patients with renal disease. This is due to an impairment in homocysteine removal in renal disease. The role of these factors, and of modifiable lifestyle factors, in affecting methionine metabolism and in determining plasma homocysteine levels is discussed. Homocysteine is an independent cardiovascular disease (CVD) risk factor modifiable by nutrition and possibly exercise. Homocysteine was first identified as an important biological compound in 1932 and linked with human disease in 1962 when elevated urinary homocysteine levels were found in children with mental retardation. This condition, called homocysteinuria, was later associated with premature occlusive CVD, even in children. These observations led to research investigating the relationship of elevated homocysteine levels and CVD in a wide variety of populations including middle age and elderly men and women with and without traditional risk factors for CVD. (PMID 17136938, 15630149); Homocysteine is an amino acid with the formula HSCH2CH2CH(NH2)CO2H. It is a homologue of the amino acid cysteine, differing by an additional methylene (-CH2-) group. It is biosynthesized from methionine by the removal of its terminal C? methyl group. Homocysteine can be recycled into methionine or converted into cysteine with the aid of B-vitamins.; Studies reported in 2006 have shown that giving vitamins [folic acid, B6 and B12] to reduce homocysteine levels may not quickly offer benefit, however a significant 25\\\\\\% reduction in stroke was found in the HOPE-2 study even in patients mostly with existing serious arterial decline although the overall death rate was not significantly changed by the intervention in the trial. Clearly, reducing homocysteine does not quickly repair existing... Homocysteine (CAS: 454-29-5) is a sulfur-containing amino acid that arises during methionine metabolism. Although its concentration in plasma is only about 10 micromolar (uM), even moderate hyperhomocysteinemia is associated with an increased incidence of cardiovascular disease and Alzheimers disease. Elevations in plasma homocysteine are commonly found as a result of vitamin deficiencies, polymorphisms of enzymes of methionine metabolism, and renal disease. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Pyridoxal, folic acid, riboflavin, and vitamin B(12) are all required for methionine metabolism, and deficiency of each of these vitamins result in elevated plasma homocysteine. A polymorphism of methylenetetrahydrofolate reductase (C677T), which is quite common in most populations with a homozygosity rate of 10-15 \\\\\\%, is associated with moderate hyperhomocysteinemia, especially in the context of marginal folate intake. Plasma homocysteine is inversely related to plasma creatinine in patients with renal disease. This is due to an impairment in homocysteine removal in renal disease. The role of these factors, and of modifiable lifestyle factors, in affecting methionine metabolism and in determining plasma homocysteine levels is discussed. Homocysteine is an independent cardiovascular disease (CVD) risk factor modifiable by nutrition and possibly exercise. Homocysteine was first identified as an important biological compound in 1932 and linked with human disease in 1962 when elevated urinary homocysteine levels were found in children with mental retardation. This condition, called homocystinuria, was later associated with premature occlusive CVD, even in children. These observations led to research investigating the relationship of elevated homocysteine levels and CVD in a wide variety of populations including middle age and elderly men and women with and without traditional risk factors for CVD (PMID: 17136938 , 15630149). Moreover, homocysteine is found to be associated with cystathionine beta-synthase deficiency, cystathioninuria, methylenetetrahydrofolate reductase deficiency, and sulfite oxidase deficiency, which are inborn errors of metabolism. [Spectral] L-Homocysteine (exact mass = 135.0354) and L-Valine (exact mass = 117.07898) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Homocysteine is biosynthesized naturally via a multi-step process.[9] First, methionine receives an adenosine group from ATP, a reaction catalyzed by S-adenosyl-methionine synthetase, to give S-adenosyl methionine (SAM-e). SAM-e then transfers the methyl group to an acceptor molecule, (e.g., norepinephrine as an acceptor during epinephrine synthesis, DNA methyltransferase as an intermediate acceptor in the process of DNA methylation). The adenosine is then hydrolyzed to yield L-homocysteine. L-Homocysteine has two primary fates: conversion via tetrahydrofolate (THF) back into L-methionine or conversion to L-cysteine.[10] Biosynthesis of cysteine Mammals biosynthesize the amino acid cysteine via homocysteine. Cystathionine β-synthase catalyses the condensation of homocysteine and serine to give cystathionine. This reaction uses pyridoxine (vitamin B6) as a cofactor. Cystathionine γ-lyase then converts this double amino acid to cysteine, ammonia, and α-ketobutyrate. Bacteria and plants rely on a different pathway to produce cysteine, relying on O-acetylserine.[11] Methionine salvage Homocysteine can be recycled into methionine. This process uses N5-methyl tetrahydrofolate as the methyl donor and cobalamin (vitamin B12)-related enzymes. More detail on these enzymes can be found in the article for methionine synthase. Other reactions of biochemical significance Homocysteine can cyclize to give homocysteine thiolactone, a five-membered heterocycle. Because of this "self-looping" reaction, homocysteine-containing peptides tend to cleave themselves by reactions generating oxidative stress.[12] Homocysteine also acts as an allosteric antagonist at Dopamine D2 receptors.[13] It has been proposed that both homocysteine and its thiolactone may have played a significant role in the appearance of life on the early Earth.[14] L-Homocysteine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=454-28-4 (retrieved 2024-06-29) (CAS RN: 6027-13-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain. DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain. L-Homocysteine, a homocysteine metabolite, is a homocysteine that has L configuration. L-Homocysteine induces upregulation of cathepsin V that mediates vascular endothelial inflammation in hyperhomocysteinaemia[1][2].

   

2-Hydroxymethylserine

alpha-(Hydroxymethyl)serine

C4H9NO4 (135.0532)


   

(+)-threo-2-Amino-3,4-dihydroxybutanoic acid

(+)-threo-2-Amino-3,4-dihydroxybutanoic acid

C4H9NO4 (135.0532)


(+)-threo-2-Amino-3,4-dihydroxybutanoic acid is found in mushrooms. (+)-threo-2-Amino-3,4-dihydroxybutanoic acid is isolated from the mushroom Lyophyllum ulmariu

   

DL-Homocysteine

2-Amino-4-mercaptobutyric acid

C4H9NO2S (135.0354)


DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain. DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain.

   

2-Benzoxazolol

InChI=1/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9

C7H5NO2 (135.032)


2-benzoxazolinone is a member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. It has a role as an allelochemical and a phytoalexin. 2-Benzoxazolinone is a natural product found in Scoparia dulcis, Acanthus ilicifolius, and other organisms with data available. A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2. 2-Benzoxazolol is found in cereals and cereal products. 2-Benzoxazolol is found in rye seedlings. Found in rye seedlings 2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani[1]. A building block in chemical synthesis. 1,3-Benzoxazol-2(3H)-one derivatives have antimicrobial activity against a selection of Gram-positive, Gram-negative bacteria and yeasts[3]. Derivatives as anti-quorum sensing agent[4]. 2-Benzoxazolinone is an anti-leishmanial agent with an LC50 of 40 μg/mL against L. donovani[1]. A building block in chemical synthesis. 1,3-Benzoxazol-2(3H)-one derivatives have antimicrobial activity against a selection of Gram-positive, Gram-negative bacteria and yeasts[3]. Derivatives as anti-quorum sensing agent[4].

   

Benzothiazole

1-Thia-3-azaindene

C7H5NS (135.0143)


Benzothiazole, also known as BT or benzosulfonazole, belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). This ring is a potential component in nonlinear optics (NLO). The nine atoms of the bicycle and the attached substituents are coplanar. Although the parent compound, benzothiazole is not widely used, many of its derivatives are found in commercial products or in nature. Benzothiazole is a coffee, cooked, and gasoline tasting compound. benzothiazole is found, on average, in the highest concentration in safflowers. benzothiazole has also been detected, but not quantified, in several different foods, such as common persimmons, fruits, guava, potato, and tea. This could make benzothiazole a potential biomarker for the consumption of these foods. Firefly luciferin can be considered a derivative of benzothiazole. The compound is used also used as an insecticide and food flavoring agent. Some drugs contain this group, examples being riluzole and pramipexole. It is colorless, slightly viscous liquid. It is a thermally stable electron-withdrawing moiety with numerous applications in dyes such as thioflavin. Benzothiazole is an aromatic heterocyclic compound with the chemical formula C7H5NS. Isolated from cranberries Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antileishmanial, and antiviral[1].

   

S-methylcysteine

S-methylcysteine, hydrochloride, (L-Cys)-isomer

C4H9NO2S (135.0354)


Methylcysteine is one of the identified number of bioactive substances in garlic that are water soluble (PMID 16484549). It has been suggested that the use of these organosulfur agents derived from garlic could protect partially oxidized and glycated LDL or plasma against further oxidative and glycative deterioration, which might benefit patients with diabetic-related vascular diseases (PMID 15161248). It may also exert some chemopreventive effects on chemical carcinogenesis. However, it should be borne in mind that may also demonstrate promotion potential, depending on the organ examined (PMID 9591199). Methylcystein is a biomarker for the consumption of dried and cooked beans. S-n-methylcysteine, also known as (2r)-2-amino-3-(methylsulfanyl)propanoic acid or 3-(methylthio)-L-alanine, is a member of the class of compounds known as L-cysteine-s-conjugates. L-cysteine-s-conjugates are compounds containing L-cysteine where the thio-group is conjugated. S-n-methylcysteine is soluble (in water) and a moderately acidic compound (based on its pKa). S-n-methylcysteine can be found in soft-necked garlic, which makes S-n-methylcysteine a potential biomarker for the consumption of this food product. S-n-methylcysteine can be found primarily in blood and urine. S-Methyl-L-cysteine is a natural product that acts as a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA), with antioxidative, neuroprotective, and anti-obesity activities.

   

1-Hydroxybenzotriazole

1-Hydroxybenzotriazole, ammonium salt

C6H5N3O (135.0433)


   

1,2-Benzisothiazole

1,2-benzisothiazole

C7H5NS (135.0143)


   

Benzo[d]isoxazol-3-ol

2,3-dihydro-1,2-benzoxazol-3-one

C7H5NO2 (135.032)


   

Mecysteine

methyl 2-amino-3-sulfanylpropanoate

C4H9NO2S (135.0354)


   

Dithiobiuret

{[thio(carbonoimidyl)]amino}methanimidothioic acid

C2H5N3S2 (134.9925)


   

Isothiocyanatobenzene

Isothiocyanic acid phenyl ester

C7H5NS (135.0143)


   

N-Methylcysteine

2-(Methylamino)-3-sulphanylpropanoic acid

C4H9NO2S (135.0354)


   

Thieno[2,3-b]pyridine

Thieno[2,3-b]pyridine

C7H5NS (135.0143)


   

thieno[3,2-b]pyridine

Thieno[3,2-b]pyridine

C7H5NS (135.0143)


   

Thiomorpholine 1,1-dioxide

1lambda6-thiomorpholine-1,1-dione

C4H9NO2S (135.0354)


   

S-N-Methylcysteine

S-methylcysteine, hydrochloride, (L-Cys)-isomer

C4H9NO2S (135.0354)


S-n-methylcysteine, also known as (2r)-2-amino-3-(methylsulfanyl)propanoic acid or 3-(methylthio)-L-alanine, is a member of the class of compounds known as L-cysteine-s-conjugates. L-cysteine-s-conjugates are compounds containing L-cysteine where the thio-group is conjugated. S-n-methylcysteine is soluble (in water) and a moderately acidic compound (based on its pKa). S-n-methylcysteine can be found in soft-necked garlic, which makes S-n-methylcysteine a potential biomarker for the consumption of this food product. S-n-methylcysteine can be found primarily in blood and urine. S-Methyl-L-cysteine is a natural product that acts as a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA), with antioxidative, neuroprotective, and anti-obesity activities.

   

3-(METHYLTHIO)ALANINE

3-(METHYLTHIO)ALANINE

C4H9NO2S (135.0354)


   

4-Hydroxybenzotriazole

4-Hydroxybenzotriazole

C6H5N3O (135.0433)


CONFIDENCE standard compound; INTERNAL_ID 2380 CONFIDENCE Reference Standard (Level 1); Source; 4OHBT_MSMS.txt CONFIDENCE standard compound; INTERNAL_ID 8681 CONFIDENCE standard compound; INTERNAL_ID 8213 CONFIDENCE standard compound; INTERNAL_ID 4201 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2900 CONFIDENCE standard compound; INTERNAL_ID 2236

   

1-Hydroxybenzotriazole

1-Hydroxybenzotriazole

C6H5N3O (135.0433)


CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2378; ORIGINAL_PRECURSOR_SCAN_NO 2376 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2376; ORIGINAL_PRECURSOR_SCAN_NO 2375 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2379; ORIGINAL_PRECURSOR_SCAN_NO 2375 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2370; ORIGINAL_PRECURSOR_SCAN_NO 2369 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2440; ORIGINAL_PRECURSOR_SCAN_NO 2438 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2380; ORIGINAL_PRECURSOR_SCAN_NO 2378 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5008; ORIGINAL_PRECURSOR_SCAN_NO 5005 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5019; ORIGINAL_PRECURSOR_SCAN_NO 5018 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5044; ORIGINAL_PRECURSOR_SCAN_NO 5043 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5043; ORIGINAL_PRECURSOR_SCAN_NO 5039 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5051; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5050; ORIGINAL_PRECURSOR_SCAN_NO 5049 INTERNAL_ID 852; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5050; ORIGINAL_PRECURSOR_SCAN_NO 5049 CONFIDENCE standard compound; INTERNAL_ID 2232 CONFIDENCE Reference Standard (Level 1); Source; 1OHBT_MSMS.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 2899

   

4-amino-2,3-dihydroxy-butyric acid

4-amino-2,3-dihydroxy-butyric acid

C4H9NO4 (135.0532)


   

Nitrile-2,5-Dihydroxybenzoic acid

Nitrile-2,5-Dihydroxybenzoic acid

C7H5NO2 (135.032)


   

2-amino-3-sulfanylbutanoic acid

2-amino-3-sulfanylbutanoic acid

C4H9NO2S (135.0354)


   

Nitrile-3,4-Dihydroxybenzoic acid

Nitrile-3,4-Dihydroxybenzoic acid

C7H5NO2 (135.032)


   

Isothiocyanatobenzene

Isothiocyanatobenzene

C7H5NS (135.0143)


   

methyl D-cysteinate

methyl D-cysteinate

C4H9NO2S (135.0354)


   

2,3,4-trihydroxybutanamide

2,3,4-trihydroxybutanamide

C4H9NO4 (135.0532)


   

Nitrile-2,4-Dihydroxybenzoic acid

Nitrile-2,4-Dihydroxybenzoic acid

C7H5NO2 (135.032)


   

Ph ester-Thiocyanic acid

Ph ester-Thiocyanic acid

C7H5NS (135.0143)


   

Benzo[d]thiazole

Benzo[d]thiazole

C7H5NS (135.0143)


An organic heterobicyclic compound that is a fusion product between benzene and thiazole. The parent of the class of benzothiazoles. CONFIDENCE standard compound; INTERNAL_ID 4056 CONFIDENCE standard compound; INTERNAL_ID 8821 CONFIDENCE standard compound; INTERNAL_ID 4208 CONFIDENCE standard compound; EAWAG_UCHEM_ID 343 Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antileishmanial, and antiviral[1].

   

L-Homocysteine

DL-Homocysteine

C4H9NO2S (135.0354)


A homocysteine that has L configuration. L-Homocysteine, a homocysteine metabolite, is a homocysteine that has L configuration. L-Homocysteine induces upregulation of cathepsin V that mediates vascular endothelial inflammation in hyperhomocysteinaemia[1][2].

   

Homocysteine

DL-Homocysteine

C4H9NO2S (135.0354)


A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; FFFHZYDWPBMWHY_STSL_0127_Homocysteine_8000fmol_180506_S2_LC02_MS02_123; 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. DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain. DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain. L-Homocysteine, a homocysteine metabolite, is a homocysteine that has L configuration. L-Homocysteine induces upregulation of cathepsin V that mediates vascular endothelial inflammation in hyperhomocysteinaemia[1][2].

   

Methylcysteine

S-Methyl-L-cysteine

C4H9NO2S (135.0354)


S-Methyl-L-cysteine is a natural product that acts as a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA), with antioxidative, neuroprotective, and anti-obesity activities.

   

2-Benzoxazolinone

2-Benzoxazolinone

C7H5NO2 (135.032)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; ASSKVPFEZFQQNQ-UHFFFAOYSA-N_STSL_0194_2-Benzoxazolinone_8000fmol_180831_S2_L02M02_07; 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.

   

3,N4-Etheno-cytosine

3,N4-Etheno-cytosine

C6H5N3O1 (135.0433)


   

S-Methyl-L-cysteine

S-Methyl-L-cysteine

C4H9NO2S (135.0354)


S-Methyl-L-cysteine is a natural product that acts as a substrate in the catalytic antioxidant system mediated by methionine sulfoxide reductase A (MSRA), with antioxidative, neuroprotective, and anti-obesity activities.

   

mecysteine

mecysteine

C4H9NO2S (135.0354)


C78273 - Agent Affecting Respiratory System > C74536 - Mucolytic Agent D019141 - Respiratory System Agents > D005100 - Expectorants

   

(+)-Threo-form

(+)-threo-2-Amino-3,4-dihydroxybutanoic acid

C4H9NO4 (135.0532)


   

Vangard BT

1-Thia-3-azaindene

C7H5NS (135.0143)


Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antileishmanial, and antiviral[1].

   

2-amino-3,4-dihydroxybutanoic acid

(+)-threo-2-Amino-3,4-dihydroxybutanoic acid

C4H9NO4 (135.0532)


   

3H-Imidazo[4,5-b]pyridine, 4-oxide

3H-Imidazo[4,5-b]pyridine, 4-oxide

C6H5N3O (135.0433)


   

Furo[2,3-c]pyridine-7(6H)-one

Furo[2,3-c]pyridine-7(6H)-one

C7H5NO2 (135.032)


   

pyridine-2,4-dicarbaldehyde

pyridine-2,4-dicarbaldehyde

C7H5NO2 (135.032)


   

Cyanuric fluoride

Cyanuric fluoride

C3F3N3 (135.0044)


   

6-fluoroindole

6-fluoroindole

C8H6FN (135.0484)


   

2-Fluorophenylacetonitrile

2-Fluorophenylacetonitrile

C8H6FN (135.0484)


   

3-Thiophenamine,tetrahydro-, 1,1-dioxide

3-Thiophenamine,tetrahydro-, 1,1-dioxide

C4H9NO2S (135.0354)


   

5-Chloro-1,3,4-thiadiazol-2-amine

5-Chloro-1,3,4-thiadiazol-2-amine

C2H2ClN3S (134.9658)


   

2,2,2-trifluoroethanaminium chloride

2,2,2-trifluoroethanaminium chloride

C2H5ClF3N (135.0063)


   

furo[2,3-d]pyrimidin-4-amine

furo[2,3-d]pyrimidin-4-amine

C6H5N3O (135.0433)


   

Piperidin-3-one hydrochloride

Piperidin-3-one hydrochloride

C5H10ClNO (135.0451)


   

Furo[2,3-c]pyridin-3(2H)-one

Furo[2,3-c]pyridin-3(2H)-one

C7H5NO2 (135.032)


   

OXAZOLO[4,5-B]PYRIDIN-2-AMINE

OXAZOLO[4,5-B]PYRIDIN-2-AMINE

C6H5N3O (135.0433)


   

AM0210000 [RTECS]

AM0210000 [RTECS]

C8H6FN (135.0484)


   

2,1,3-benzoxadiazol-4-amine

2,1,3-benzoxadiazol-4-amine

C6H5N3O (135.0433)


   

3-Fluoro-4-methylbenzonitrile

3-Fluoro-4-methylbenzonitrile

C8H6FN (135.0484)


   

n-isopropyl-2-chloroacetamide

n-isopropyl-2-chloroacetamide

C5H10ClNO (135.0451)


   

3-Thiophenamine hydrochloride (1:1)

3-Thiophenamine hydrochloride (1:1)

C4H6ClNS (134.9909)


   

3-fluorobenzyl cyanide

3-fluorobenzyl cyanide

C8H6FN (135.0484)


   

Nitroacetaldehyde dimethyl acetal

Nitroacetaldehyde dimethyl acetal

C4H9NO4 (135.0532)


   

6H-Pyrrolo[2,3-d]pyrimidin-6-one, 5,7-dihydro- (8CI)

6H-Pyrrolo[2,3-d]pyrimidin-6-one, 5,7-dihydro- (8CI)

C6H5N3O (135.0433)


   

1,2,4-Thiadiazol-3-amine,5-chloro-

1,2,4-Thiadiazol-3-amine,5-chloro-

C2H2ClN3S (134.9658)


   

2-Chloro-N-ethyl-N-methylacetamide

2-Chloro-N-ethyl-N-methylacetamide

C5H10ClNO (135.0451)


   

OXAZOLO[4,5-C]PYRIDIN-2-AMINE

OXAZOLO[4,5-C]PYRIDIN-2-AMINE

C6H5N3O (135.0433)


   

2,6-dihydroxybenzonitrile

2,6-dihydroxybenzonitrile

C7H5NO2 (135.032)


   

1,5,9-triazabicyclo[4.3.0]nona-3,5,7-trien-2-one

1,5,9-triazabicyclo[4.3.0]nona-3,5,7-trien-2-one

C6H5N3O (135.0433)


   

1H-Benzotriazol-5-ol

1H-Benzotriazol-5-ol

C6H5N3O (135.0433)


   

Thieno[3,2-b]pyridine

Thieno[3,2-b]pyridine

C7H5NS (135.0143)


   

1h-pyrrolo[2,3-d]pyrimidin-2(7h)-one

1h-pyrrolo[2,3-d]pyrimidin-2(7h)-one

C6H5N3O (135.0433)


   

4-Fluoro-2-methylbenzonitrile

4-Fluoro-2-methylbenzonitrile

C8H6FN (135.0484)


   

Carbamodithioic acid,N,N-dimethyl-, methyl ester

Carbamodithioic acid,N,N-dimethyl-, methyl ester

C4H9NS2 (135.0176)


   

ethyl4-hydroxy-2-methylpyrimidine-5-carboxylate

ethyl4-hydroxy-2-methylpyrimidine-5-carboxylate

C6H5N3O (135.0433)


   

Furo[3,2-b]pyridin-6-ol

Furo[3,2-b]pyridin-6-ol

C7H5NO2 (135.032)


   

(S)-5-(Chloromethyl)oxazolidin-2-one

(S)-5-(Chloromethyl)oxazolidin-2-one

C4H6ClNO2 (135.0087)


   

S-methyl-D-cysteine

S-methyl-D-cysteine

C4H9NO2S (135.0354)


   

1H-Imidazole-4-carboxamide, 5-ethynyl- (9CI)

1H-Imidazole-4-carboxamide, 5-ethynyl- (9CI)

C6H5N3O (135.0433)


   

N-Nitro-S-methyl isothiourea

N-Nitro-S-methyl isothiourea

C2H5N3O2S (135.0102)


   

1H-Imidazo[4,5-f][1,4]oxazepine (9CI)

1H-Imidazo[4,5-f][1,4]oxazepine (9CI)

C6H5N3O (135.0433)


   

Cyanuricfluoride,typically99

Cyanuricfluoride,typically99

C3F3N3 (135.0044)


   

Acetamide,2-chloro-N-propyl-

Acetamide,2-chloro-N-propyl-

C5H10ClNO (135.0451)


   

2-furoylacetonitrile

2-furoylacetonitrile

C7H5NO2 (135.032)


   

3-FUROYLACETONITRILE

3-FUROYLACETONITRILE

C7H5NO2 (135.032)


   

Isoxazolo[4,5-b]pyridin-3-amine

Isoxazolo[4,5-b]pyridin-3-amine

C6H5N3O (135.0433)


   

1-Methylcyclopropanesulfonamide

1-Methylcyclopropanesulfonamide

C4H9NO2S (135.0354)


   

1H-Pyrazolo[4,3-B]Pyridin-5-ol

1H-Pyrazolo[4,3-B]Pyridin-5-ol

C6H5N3O (135.0433)


   

2-Methoxypyrimidine-5-carbonitrile

2-Methoxypyrimidine-5-carbonitrile

C6H5N3O (135.0433)


   

3-Bromoazetidine

3-Bromoazetidine

C3H6BrN (134.9684)


   

4-Mercaptobenzonitrile

4-Mercaptobenzonitrile

C7H5NS (135.0143)


   

2H-1,2-Thiazine,tetrahydro-, 1,1-dioxide

2H-1,2-Thiazine,tetrahydro-, 1,1-dioxide

C4H9NO2S (135.0354)


   

8-oxa-3-azabicyclo[4.3.0]nona-2,4,10-trien-7-one

8-oxa-3-azabicyclo[4.3.0]nona-2,4,10-trien-7-one

C7H5NO2 (135.032)


   

PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE

PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE

C6H5N3O (135.0433)


   

Diethylcarbamic chloride

Diethylcarbamic chloride

C5H10ClNO (135.0451)


   

1H-Pyrazolo[3,4-c]pyridin-3(2H)-one

1H-Pyrazolo[3,4-c]pyridin-3(2H)-one

C6H5N3O (135.0433)


   

1-Hydroxybenzotriazole hydrate

1-Hydroxybenzotriazole hydrate

C6H5N3O (135.0433)


   

2,6-diformylpyridine

2,6-diformylpyridine

C7H5NO2 (135.032)


   

N-ACETYL-2-CHLORO-ACETAMIDE

N-ACETYL-2-CHLORO-ACETAMIDE

C4H6ClNO2 (135.0087)


   

5-Fluoroindole

5-Fluoroindole

C8H6FN (135.0484)


   

2,3-Dihydroxybenzonitrile

2,3-Dihydroxybenzonitrile

C7H5NO2 (135.032)


   

3-(Methylsulfonyl)azetidine

3-(Methylsulfonyl)azetidine

C4H9NO2S (135.0354)


   

5-chloromethyl-2-oxazolidinone

5-chloromethyl-2-oxazolidinone

C4H6ClNO2 (135.0087)


   

5-(2-FURYL)-1,3-OXAZOLE

5-(2-FURYL)-1,3-OXAZOLE

C7H5NO2 (135.032)


   

Thiomorpholine 1,1-dioxide

Thiomorpholine 1,1-dioxide

C4H9NO2S (135.0354)


   

Imidazo[1,2-a]pyrimidin-5(1H)-one

Imidazo[1,2-a]pyrimidin-5(1H)-one

C6H5N3O (135.0433)


   

5-CHLOROISOTHIAZOL-3-OL

5-CHLOROISOTHIAZOL-3-OL

C3H2ClNOS (134.9546)


   

(1H-TETRAZOL-5-YL)METHANAMINE HYDROCHLORIDE

(1H-TETRAZOL-5-YL)METHANAMINE HYDROCHLORIDE

C2H6ClN5 (135.0312)


   

OXAZOLO[5,4-B]PYRIDIN-2-AMINE

OXAZOLO[5,4-B]PYRIDIN-2-AMINE

C6H5N3O (135.0433)


   

5-acetylfuran-2-carbonitrile

5-acetylfuran-2-carbonitrile

C7H5NO2 (135.032)


   

Furo[2,3-b]pyridin-3(2H)-one

Furo[2,3-b]pyridin-3(2H)-one

C7H5NO2 (135.032)


   

1H-pyrazolo[3,4-b]pyridin-5-ol

1H-pyrazolo[3,4-b]pyridin-5-ol

C6H5N3O (135.0433)


   

D-Homocysteine

(R)-2-AMINO-4-MERCAPTOBUTANOIC ACID

C4H9NO2S (135.0354)


   

4-Fluoro-3-methylbenzonitrile

4-Fluoro-3-methylbenzonitrile

C8H6FN (135.0484)


   

BENZOOXAZOL-4-OL

BENZOOXAZOL-4-OL

C7H5NO2 (135.032)


   

2-Mercapto-5-thiazolidone

2-Mercapto-5-thiazolidone

C3H5NOS2 (134.9813)


   

imidazo[4,5-d]triazin-4-one

imidazo[4,5-d]triazin-4-one

C4HN5O (135.0181)


   

2-chloro-n,n-dimethyl-propanamid

2-chloro-n,n-dimethyl-propanamid

C5H10ClNO (135.0451)


   

2-chloro-N-ethylpropionamide

2-chloro-N-ethylpropionamide

C5H10ClNO (135.0451)


   

1H-Imidazo[4,5-b]pyridin-2(3H)-one

1H-Imidazo[4,5-b]pyridin-2(3H)-one

C6H5N3O (135.0433)


   

3,N4-ethenocytosine

imidazo[1,2-c]pyrimidin-5(6H)-one

C6H5N3O (135.0433)


   

1,4-Oxathiane, 4,4-dihydro-4-imino-, 4-oxide

1,4-Oxathiane, 4,4-dihydro-4-imino-, 4-oxide

C4H9NO2S (135.0354)


   

2-AMINO-1H-IMIDAZOL-5(4H)-ONE HYDROCHLORIDE

2-AMINO-1H-IMIDAZOL-5(4H)-ONE HYDROCHLORIDE

C3H6ClN3O (135.0199)


   

Isoxazolo[5,4-c]pyridin-3-amine

Isoxazolo[5,4-c]pyridin-3-amine

C6H5N3O (135.0433)


   

5-Fluoro-2-methylbenzonitrile

5-Fluoro-2-methylbenzonitrile

C8H6FN (135.0484)


   

Pyridine-3,5-dicarboxaldehyde

Pyridine-3,5-dicarboxaldehyde

C7H5NO2 (135.032)


   

2,5-dihydroxybenzonitrile

2,5-dihydroxybenzonitrile

C7H5NO2 (135.032)


   

4-Fluoroindole

4-Fluoroindole

C8H6FN (135.0484)


   

pyrithione sodium

pyrithione sodium

C5H4NaOS (134.9881)


   

3H-IMIDAZO[4,5-B]PYRIDIN-6-OL

3H-IMIDAZO[4,5-B]PYRIDIN-6-OL

C6H5N3O (135.0433)


   

2,4-Dihydroxybenzonitrile

2,4-Dihydroxybenzonitrile

C7H5NO2 (135.032)


   

5-Methoxy-2-pyrimidinecarbonitrile

5-Methoxy-2-pyrimidinecarbonitrile

C6H5N3O (135.0433)


   

Pyrazolo[1,5-a]pyrimidin-5-ol

Pyrazolo[1,5-a]pyrimidin-5-ol

C6H5N3O (135.0433)


   

PYRAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE

PYRAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE

C6H5N3O (135.0433)


   

IMIDAZO[4,5-B]PYRIDIN-5-OL

IMIDAZO[4,5-B]PYRIDIN-5-OL

C6H5N3O (135.0433)


   

1H-Pyrazolo[3,4-b]pyridin-3(2H)-one

1H-Pyrazolo[3,4-b]pyridin-3(2H)-one

C6H5N3O (135.0433)


   

Imidazo[1,2-b]pyridazin-6-ol

Imidazo[1,2-b]pyridazin-6-ol

C6H5N3O (135.0433)


   

2-Fluoro-3-methylbenzonitrile

2-Fluoro-3-methylbenzonitrile

C8H6FN (135.0484)


   

2-Fluoro-6-methylbenzonitrile

2-Fluoro-6-methylbenzonitrile

C8H6FN (135.0484)


   

1H-Imidazo[4,5-c]pyridin-4-ol

1H-Imidazo[4,5-c]pyridin-4-ol

C6H5N3O (135.0433)


   

2-aminocyclopentan-1-one

2-aminocyclopentan-1-one

C5H10ClNO (135.0451)


   

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptaneHCl

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptaneHCl

C5H10ClNO (135.0451)


   

Furo[3,4-b]pyridin-7(5H)-one

Furo[3,4-b]pyridin-7(5H)-one

C7H5NO2 (135.032)


   

Oxazolo[5,4-c]pyridin-2-amine

Oxazolo[5,4-c]pyridin-2-amine

C6H5N3O (135.0433)


   

1,3-Dihydro-2H-Imidazo[4,5-c]Pyridin-2-One

1,3-Dihydro-2H-Imidazo[4,5-c]Pyridin-2-One

C6H5N3O (135.0433)


   

7-Fluoro-1H-indole

7-Fluoro-1H-indole

C8H6FN (135.0484)


   

5-Pyrimidinecarbonitrile, 4-methoxy- (8CI)

5-Pyrimidinecarbonitrile, 4-methoxy- (8CI)

C6H5N3O (135.0433)


   

4-Hydroxy-2-methylpyrimidine-5-carbonitrile

4-Hydroxy-2-methylpyrimidine-5-carbonitrile

C6H5N3O (135.0433)


   

1h-Pyrazolo[3,4-B]Pyridin-3-Ol

1h-Pyrazolo[3,4-B]Pyridin-3-Ol

C6H5N3O (135.0433)


   

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane HCl

(1S,4S)-2-Oxa-5-azabicyclo[2.2.1]heptane HCl

C5H10ClNO (135.0451)


   

3,5-Dihydroxybenzonitrile

3,5-Dihydroxybenzonitrile

C7H5NO2 (135.032)


   

FURO[3,2-B]PYRIDINE 4-OXIDE

FURO[3,2-B]PYRIDINE 4-OXIDE

C7H5NO2 (135.032)


   

1-methylpyrrolidin-3-one,hydrochloride

1-methylpyrrolidin-3-one,hydrochloride

C5H10ClNO (135.0451)


   

Thieno[2,3-c]pyridine

Thieno[2,3-c]pyridine

C7H5NS (135.0143)


   

Thieno[3,2-c]pyridine

Thieno[3,2-c]pyridine

C7H5NS (135.0143)


   

4-Oxopiperidinium chloride

4-Oxopiperidinium chloride

C5H10ClNO (135.0451)


   

1-chloro-3-isothiocyanatopropane

1-chloro-3-isothiocyanatopropane

C4H6ClNS (134.9909)


   

3-Chloro-N,N-diMethylpropanamide

3-Chloro-N,N-diMethylpropanamide

C5H10ClNO (135.0451)


   

BENZO[C]ISOXAZOL-5-OL

BENZO[C]ISOXAZOL-5-OL

C7H5NO2 (135.032)


   

Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

Pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

C6H5N3O (135.0433)


   

2-[(2-hydroxyethyl)thio]acetamide

2-[(2-hydroxyethyl)thio]acetamide

C4H9NO2S (135.0354)


   

N-Allylmethanesulfonamide

N-Allylmethanesulfonamide

C4H9NO2S (135.0354)


   

Furo[3,2-c]pyridin-3(2H)-one(9CI)

Furo[3,2-c]pyridin-3(2H)-one(9CI)

C7H5NO2 (135.032)


   

3-(trifluoromethyl)-1H-pyrrole

3-(trifluoromethyl)-1H-pyrrole

C5H4F3N (135.0296)


   

[1,2,4]Triazolo[4,3-a]pyridin-3(2H)-one

[1,2,4]Triazolo[4,3-a]pyridin-3(2H)-one

C6H5N3O (135.0433)


   

Ethenesulfonic acid dimethylamide

Ethenesulfonic acid dimethylamide

C4H9NO2S (135.0354)


   

Furo[3,4-b]pyridin-5(7H)-one

Furo[3,4-b]pyridin-5(7H)-one

C7H5NO2 (135.032)


   

6-HYDROXY-1,2-BENZISOXAZOLE

6-HYDROXY-1,2-BENZISOXAZOLE

C7H5NO2 (135.032)


   

2-cyano-2-hydroxyiminoacetamide sodium salt

2-cyano-2-hydroxyiminoacetamide sodium salt

C3H2N3NaO2 (135.0045)


   

6-Methoxy-pyrazine-2-carbonitrile

6-Methoxy-pyrazine-2-carbonitrile

C6H5N3O (135.0433)


   

Imidazo[1,2-A]Pyrazin-8-Ol

Imidazo[1,2-A]Pyrazin-8-Ol

C6H5N3O (135.0433)


   

3-Fluoro-5-methylbenzonitrile

3-Fluoro-5-methylbenzonitrile

C8H6FN (135.0484)


   

5H-Pyrrolo[2,3-d]pyrimidin-5-one, 6,7-dihydro- (9CI)

5H-Pyrrolo[2,3-d]pyrimidin-5-one, 6,7-dihydro- (9CI)

C6H5N3O (135.0433)


   

Pyrazolo[1,5-a]pyrimidin-5(4H)-one,2-amino-6,7-dihydro-

Pyrazolo[1,5-a]pyrimidin-5(4H)-one,2-amino-6,7-dihydro-

C6H5N3O (135.0433)


   

3-Aminocyclopentanone hydrochloride

3-Aminocyclopentanone hydrochloride

C5H10ClNO (135.0451)


   

2-Sulfanylbenzonitrile

2-Sulfanylbenzonitrile

C7H5NS (135.0143)


   

cyclobutanesulfonamide

cyclobutanesulfonamide

C4H9NO2S (135.0354)


   

pyridine-2,3-dicarbaldehyde

pyridine-2,3-dicarbaldehyde

C7H5NO2 (135.032)


   

3-Ethynyl-4-fluoroaniline

3-Ethynyl-4-fluoroaniline

C8H6FN (135.0484)


   

Phenyl isothiocyanate

Phenyl isothiocyanate

C7H5NS (135.0143)


   

3,4-Dihydroxybenzonitrile

3,4-Dihydroxybenzonitrile

C7H5NO2 (135.032)


   

ISOXAZOLO[5,4-B]PYRIDIN-3-AMINE

ISOXAZOLO[5,4-B]PYRIDIN-3-AMINE

C6H5N3O (135.0433)


   

Acetofenate

Acetofenate

C8H7O2- (135.0446)


   

2-Fluoro-5-methylbenzonitrile

2-Fluoro-5-methylbenzonitrile

C8H6FN (135.0484)


   

2-(3-Fluorophenyl)acetonitrile

2-(3-Fluorophenyl)acetonitrile

C8H6FN (135.0484)


   

2-Fluoro-4-methylbenzonitrile

2-Fluoro-4-methylbenzonitrile

C8H6FN (135.0484)


   

2-aminothiophene hydrochloride

2-aminothiophene hydrochloride

C4H6ClNS (134.9909)


   

Furo[3,2-c]pyridin-4(5H)-one

Furo[3,2-c]pyridin-4(5H)-one

C7H5NO2 (135.032)


   

5H-pyrrolo[3,2-d]pyrimidin-4-ol

5H-pyrrolo[3,2-d]pyrimidin-4-ol

C6H5N3O (135.0433)


   

benzo[d]isoxazol-7-ol

benzo[d]isoxazol-7-ol

C7H5NO2 (135.032)


   

3-Fluoro-2-methylbenzonitrile

3-Fluoro-2-methylbenzonitrile

C8H6FN (135.0484)


   

Dithiobiuret

Dithiobiuret

C2H5N3S2 (134.9925)


   

2(1H)-Pyrimidinone,4-amino-1-ethynyl-

2(1H)-Pyrimidinone,4-amino-1-ethynyl-

C6H5N3O (135.0433)


   

1,7-dihydro-6H-purin-6-one (hypoxanthine)

1,7-dihydro-6H-purin-6-one (hypoxanthine)

C5H3N4O (135.0307)


   

2-oxa-5-azabicyclo[4.1.0]heptane hydrochloride

2-oxa-5-azabicyclo[4.1.0]heptane hydrochloride

C5H10ClNO (135.0451)


   

Pyrazolo[1,5-a]pyriMidin-5(4H)-one

Pyrazolo[1,5-a]pyriMidin-5(4H)-one

C6H5N3O (135.0433)


   

3-chloro-N-ethylpropanaMide

3-chloro-N-ethylpropanaMide

C5H10ClNO (135.0451)


   

2,5-Dihydro-4H-pyrazolo[4,3-c]pyridin-4-one

2,5-Dihydro-4H-pyrazolo[4,3-c]pyridin-4-one

C6H5N3O (135.0433)


   

3-fluoroindole

3-fluoroindole

C8H6FN (135.0484)


   

2,1,3-Benzoxadiazol-5-amine

2,1,3-Benzoxadiazol-5-amine

C6H5N3O (135.0433)


   

2-(trifluoromethyl)-1H-pyrrole

2-(trifluoromethyl)-1H-pyrrole

C5H4F3N (135.0296)


   

Polyethyleneimine

Polyethyleneimine

C5H10ClNO (135.0451)


   

1-h-pyrazolo[3,4-b]pyridin-4-ol

1-h-pyrazolo[3,4-b]pyridin-4-ol

C6H5N3O (135.0433)


   

Pyrrolo[2,3-d]pyrimidin-4-ol

Pyrrolo[2,3-d]pyrimidin-4-ol

C6H5N3O (135.0433)


   

2,2-dichlorocyclopropane-1-carbonitrile

2,2-dichlorocyclopropane-1-carbonitrile

C4H3Cl2N (134.9643)


   

2-Methyl-2-Nitro-1,3-Propanediol

2-Methyl-2-Nitro-1,3-Propanediol

C4H9NO4 (135.0532)


   

Thieno[2,3-b]pyridine

Thieno[2,3-b]pyridine

C7H5NS (135.0143)


   

1H-Benzotriazol-1-ol

1H-Benzotriazol-1-ol

C6H5N3O (135.0433)


   

p-Toluate

p-Toluate

C8H7O2- (135.0446)


   

3-(Dimethyl-Lambda~4~-Sulfanyl)propanoic Acid

3-(Dimethyl-Lambda~4~-Sulfanyl)propanoic Acid

C5H11O2S+ (135.048)


   

D-threonate

D-threonate

C4H7O5- (135.0293)


   

2-Hydroxy-3-nitropropanoic acid

2-Hydroxy-3-nitropropanoic acid

C3H5NO5 (135.0168)


   

rel-(2S,3R)-2-Amino-3,4-dihydroxybutanoic acid

rel-(2S,3R)-2-Amino-3,4-dihydroxybutanoic acid

C4H9NO4 (135.0532)


   

Pyrrolo[1,2-d][1,2,4]triazin-4(3H)-one

Pyrrolo[1,2-d][1,2,4]triazin-4(3H)-one

C6H5N3O (135.0433)


   

(Carboxyhydroxyamino)ethanoic acid

(Carboxyhydroxyamino)ethanoic acid

C3H5NO5 (135.0168)


   

(3R)-3-amino-4-sulfanylbutanoic acid

(3R)-3-amino-4-sulfanylbutanoic acid

C4H9NO2S (135.0354)


   

o-2857

4-27-00-01069 (Beilstein Handbook Reference)

C7H5NS (135.0143)


Benzothiazole is a natural occurring heterocyclic nuclei. Benzothiazole nucleus possesses a number of biological activities such as anticancer, antimicrobial, antidiabetic, anti-inflammatory, antileishmanial, and antiviral[1].

   

272-16-2

Benzo[d]isothiazole

C7H5NS (135.0143)


   

Hydroxymethylserine

Hydroxymethylserine

C4H9NO4 (135.0532)


   

Benzeneacetate

Benzeneacetate

C8H7O2- (135.0446)


D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

   

(2S)-2-azaniumyl-4-sulfanylbutanoate

(2S)-2-azaniumyl-4-sulfanylbutanoate

C4H9NO2S (135.0354)


   

(2R)-2-azaniumyl-3-(methylsulfanyl)propanoate

(2R)-2-azaniumyl-3-(methylsulfanyl)propanoate

C4H9NO2S (135.0354)


   

m-Methylbenzoate

m-Methylbenzoate

C8H7O2- (135.0446)


   

(2R,3S)-2,3,4-Trihydroxybutanoate

(2R,3S)-2,3,4-Trihydroxybutanoate

C4H7O5- (135.0293)


   

D-Erythronate

D-Erythronate

C4H7O5- (135.0293)


An erythronate that is the conjugate base of D-erythronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(2S)-2-azaniumyl-3-methylsulfanylpropanoate

(2S)-2-azaniumyl-3-methylsulfanylpropanoate

C4H9NO2S (135.0354)


   

3-Hydroxyhomoserine

3-Hydroxyhomoserine

C4H9NO4 (135.0532)


   

2-Methylbenzoate

2-Methylbenzoate

C8H7O2- (135.0446)


   

(2R)-2-azaniumyl-4-sulfanylbutanoate

(2R)-2-azaniumyl-4-sulfanylbutanoate

C4H9NO2S (135.0354)


   

L-erythronate

L-erythronate

C4H7O5- (135.0293)


   

4-hydroxy-L-allo-threonine

4-hydroxy-L-allo-threonine

C4H9NO4 (135.0532)


   

2-Ammonio-4-sulfanylbutanoate

2-Ammonio-4-sulfanylbutanoate

C4H9NO2S (135.0354)


   

1-Aminocyclopropylphosphonate(2-)

1-Aminocyclopropylphosphonate(2-)

C3H6NO3P-2 (135.0085)


   

alpha-(Hydroxymethyl)serine

alpha-(Hydroxymethyl)serine

C4H9NO4 (135.0532)


   

4-Hydroxy-L-threonine

4-Hydroxy-L-threonine

C4H9NO4 (135.0532)


A hydroxy-amino acid consisting of L-threonine having a hydroxy substituent at the 4-position.

   

S-methylcysteine zwitterion

S-methylcysteine zwitterion

C4H9NO2S (135.0354)


An S-alkyl-L-cysteine zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-methylcysteine; major species at pH 7.3.

   

m-toluate

m-toluate

C8H7O2 (135.0446)


A toluate that is the conjugate base of m-toluic acid.

   

L-Threonate

L-Threonate

C4H7O5 (135.0293)


Conjugate base of L-threonic acid.

   

Benzo[d]isoxazol-3-ol

Benzo[d]isoxazol-3-ol

C7H5NO2 (135.032)


   

homocysteine zwitterion

homocysteine zwitterion

C4H9NO2S (135.0354)


An amino acid zwitterion of homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.

   

S-hydroxy-S-oxy-L-cysteine residue

S-hydroxy-S-oxy-L-cysteine residue

C3H5NO3S (134.999)


An alpha-amino-acid residue derived from S-hydroxy-S-oxy-L-cysteine.

   

Phenylacetate

Phenylacetate

C8H7O2 (135.0446)


A monocarboxylic acid anion that is the conjugate base of phenylacetic acid.

   

L-homocysteine zwitterion

L-homocysteine zwitterion

C4H9NO2S (135.0354)


An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-homocysteine; major species at pH 7.3.

   

4-hydroxy-L-threonine zwitterion

4-hydroxy-L-threonine zwitterion

C4H9NO4 (135.0532)


An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-hydroxy-L-threonine; major species at pH 7.3.

   

O-Toluate

O-Toluate

C8H7O2 (135.0446)


A toluate that is the conjugate base of o-toluic acid.

   

S-methylcysteine

S-methylcysteine

C4H9NO2S (135.0354)


A cysteine derivative that is L-cysteine in which the hydrogen attached to the sulfur is replaced by a methyl group.

   

4-Hydroxythreonine

4-Hydroxythreonine

C4H9NO4 (135.0532)


   

Hydroxythreonine

Hydroxythreonine

C4H9NO4 (135.0532)


   

Benzoxazolol

Benzoxazolol

C7H5NO2 (135.032)


   

α-hydroxymethylserine

alpha-hydroxymethylserine

C4H9NO4 (135.0532)


{"Ingredient_id": "HBIN015557","Ingredient_name": "\u03b1-hydroxymethylserine","Alias": "alpha-hydroxymethylserine","Ingredient_formula": "C4H9NO4","Ingredient_Smile": "CNC(CO)(C(=O)O)O","Ingredient_weight": "135.12 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15891","TCMID_id": "31238;10520","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129856910","DrugBank_id": "NA"}

   

(2s,3r)-3-hydroxy-2-(hydroxyamino)butanoic acid

(2s,3r)-3-hydroxy-2-(hydroxyamino)butanoic acid

C4H9NO4 (135.0532)


   

(2r,3s)-2-amino-3,4-dihydroxybutanoic acid

(2r,3s)-2-amino-3,4-dihydroxybutanoic acid

C4H9NO4 (135.0532)


   

2,3,4-trihydroxybutanimidic acid

2,3,4-trihydroxybutanimidic acid

C4H9NO4 (135.0532)