Exact Mass: 141.9821568

Exact Mass Matches: 141.9821568

Found 339 metabolites which its exact mass value is equals to given mass value 141.9821568, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

cis,cis-Muconic acid

(2Z,4Z)-HEXA-2,4-dienedioIC ACID

C6H6O4 (142.0266076)


cis-cis-Muconic acid is a presumptive metabolite of benzene. Muconic acid was first isolated from the urine of rabbits and dogs in 1909 (M. Jaffe, Z Physiol Chem 62:58-67). It was originally thought that if muconic acid was formed by the opening of the benzene ring in vivo then the cis-cis isomer should be the initial (and primary) product. However subsequent studies conducted in the 1950s proved that trans-trans-muconic acid is a true metabolite of benzene in mammals (Parke DV, Williams RT. Biochem J 51:339-348 (1952)). Furthermore, dosing rabbits with phenol or catechol also resulted in the urinary excretion of trans-trans-muconic acid. The oxidative ring opening of benzene first gives rise to cis-cis-muconaldehyde, which then isomerizes to cis-trans- and trans-trans-muconaldehyde; the latter is oxidized in vivo to trans-trans-muconic acid. Isomerization of the trans-trans form may take place in vivo to yield small amounts if the cis-cis and cis-trans form of muconic acid. cis-cis-Muconic acid may also be generated from microbial fermentation of benzoic acid. Certain strains of arthobacter are particularly efficient at this process. cis-cis-Muconic acid can also be found in Pseudomonas and Escherichia coli (https://link.springer.com/article/10.1007/BF00250491) (PMID:26360870). Cis-cis-muconic acid is a presumptive metabolite of benzene. Muconic acid was first isolated from the urine of rabbits and dogs in 1909 ( M. Jaffe, Z Physiol Chem 62:58-67). It was originally thought that if muconic acid were formed by opening of the benzene ring in vivo then the cis-cis isomer should be the initial (and primary) product. However subsequent studies conducted in the 1950s proved that trans-trans-muconic acid is a true metabolite of benzene in mammals (Parke DV, Williams RT. Biochem J 51:339-348 (1952)). Furthermore, dosing rabbits with phenol or catechol also resulted in the urinary excretion of trans-trans-muconic acid. The oxidative ring opening of benzene first gives rise to cis-cis-muconaldehyde, which then isomerizes to cis-trans- and trans-trans-muconaldehyde; the latter is oxidized in vivo to trans-trans-muconic acid. Isomerization of the trans-trans form may take place in vivo to yield small amounts if the cis-cis and cis-trans form of muconic acid. Cis-cis muconic acid may also be generated from microbial fermentation of benzoic acid. Certain strains of arthobacter are particularly efficient at this process. [HMDB] KEIO_ID M105 cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2].

   

Kojic acid

5-((3-Aminopropyl)phosphinooxy)-2-(hydroxymethyl)-4H-pyran-4-one

C6H6O4 (142.0266076)


Kojic acid is a synthetic intermediate for production of food additives. It has been found to be a metabolite in Aspergillus (Hugo Vanden Bossche, D.W.R. Mackenzie and G. Cauwenbergh. Aspergillus and Aspergillosis, 1987). Synthetic intermed. for prodn. of food additives Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1]. Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1].

   

Methylthiouracil

6-Methyl-2-sulphanylidene-1H-pyrimidin-4-one

C5H6N2OS (142.0200826)


CONFIDENCE standard compound; INTERNAL_ID 1235; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1149; ORIGINAL_PRECURSOR_SCAN_NO 1146 CONFIDENCE standard compound; INTERNAL_ID 1235; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1156; ORIGINAL_PRECURSOR_SCAN_NO 1153 CONFIDENCE standard compound; INTERNAL_ID 1235; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1126; ORIGINAL_PRECURSOR_SCAN_NO 1124 CONFIDENCE standard compound; INTERNAL_ID 1235; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1143; ORIGINAL_PRECURSOR_SCAN_NO 1141 CONFIDENCE standard compound; INTERNAL_ID 1235; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1165; ORIGINAL_PRECURSOR_SCAN_NO 1163 CONFIDENCE standard compound; INTERNAL_ID 1235; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1155; ORIGINAL_PRECURSOR_SCAN_NO 1154 H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent CONFIDENCE standard compound; INTERNAL_ID 1164 Methylthiouracil is an antithyroid agent. Methylthiouracil suppresses the production TNF-α and IL-6, and the activation of NF-κB and ERK1/2. Methylthiouracil is an antithyroid agent. Methylthiouracil suppresses the production TNF-α and IL-6, and the activation of NF-κB and ERK1/2.

   

4-Chloro-o-phenylenediamine

4-Chloro-ortho-phenylenediamine

C6H7ClN2 (142.0297732)


   

4-Chloro-3-methylphenol

1-Chloro-2-methyl-4-hydroxybenzene

C7H7ClO (142.0185402)


C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D016573 - Agrochemicals D010575 - Pesticides Same as: D03468

   

Mesna

2-Mercaptoethanesulfonic acid solution

C2H6O3S2 (141.9758366)


Mesna is a chemoprotectant. Chemoprotectants have been developed as a means of ameliorating the toxicity associated with cytotoxic agents by providing site-specific protection for normal tissues, without compromising antitumour efficacy. Mesna eliminates the risk of therapy-limiting urotoxic side effects of oxazaphosphorines. Mesna is widely used for the prevention of cyclophosphamide-related hemorrhagic cystitis. It has been associated with hypersensitivity-like cutaneous and systemic reactions in adult patients. Mesna offers significant uroprotection in patients receiving high dose cyclophosphamide, and is widely used in paediatric oncology practice It is, therefore, important to recognize that it may be associated with a rare but significant systemic adverse reaction. A hypersensitivity-like reaction to mesna was first reported in a young adult receiving treatment for Hodgkin disease over 20 years ago. Oral administration of mesna can facilitate outpatient ifosfamide therapy. Blood and urinary mesna concentrations are more steady and prolonged after oral delivery compared with after intravenous delivery. (PMID: 16333822, 10193684, 1485175) [HMDB] Mesna is a chemoprotectant. Chemoprotectants have been developed as a means of ameliorating the toxicity associated with cytotoxic agents by providing site-specific protection for normal tissues, without compromising antitumour efficacy. Mesna eliminates the risk of therapy-limiting urotoxic side effects of oxazaphosphorines. Mesna is widely used for the prevention of cyclophosphamide-related hemorrhagic cystitis. It has been associated with hypersensitivity-like cutaneous and systemic reactions in adult patients. Mesna offers significant uroprotection in patients receiving high dose cyclophosphamide, and is widely used in paediatric oncology practice It is, therefore, important to recognize that it may be associated with a rare but significant systemic adverse reaction. A hypersensitivity-like reaction to mesna was first reported in a young adult receiving treatment for Hodgkin disease over 20 years ago. Oral administration of mesna can facilitate outpatient ifosfamide therapy. Blood and urinary mesna concentrations are more steady and prolonged after oral delivery compared with after intravenous delivery. (PMID: 16333822, 10193684, 1485175). Acquisition and generation of the data is financially supported in part by CREST/JST. D020011 - Protective Agents

   

hydroxymuconic semialdehyde

2-hydroxy-6-oxohexa-2,4-dienoic acid

C6H6O4 (142.0266076)


   

2-Thienylacetic acid

2-Thiopheneacetic acid

C6H6O2S (142.0088496)


   

4-Chloro-2-methylphenol

4-chloro-2-Cresol, potassium salt

C7H7ClO (142.0185402)


CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4509; ORIGINAL_PRECURSOR_SCAN_NO 4507 CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4489; ORIGINAL_PRECURSOR_SCAN_NO 4487 CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4527; ORIGINAL_PRECURSOR_SCAN_NO 4526 CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4535; ORIGINAL_PRECURSOR_SCAN_NO 4534 CONFIDENCE standard compound; INTERNAL_ID 1119; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4544; ORIGINAL_PRECURSOR_SCAN_NO 4540

   

3-Oxoadipate enol-lactone

5-oxo-4,5-dihydro-2-furylacetic acid

C6H6O4 (142.0266076)


   

1,2,3,5-Benzenetetrol

1,2,3,5-Tetrahydroxybenzene

C6H6O4 (142.0266076)


   

Muconolactone

4-Carboxymethyl-4-hydroxyisocrotonolactone

C6H6O4 (142.0266076)


   

4-Hydroxymuconic semialdehyde

cis,cis-4-Hydroxymuconic semialdehyde; 4-Hydroxymuconic semialdehyde

C6H6O4 (142.0266076)


   

Disodium phosphate

Phosphoric acid, trisodium salt , dodecahydrate

Na2HPO4 (141.9407876)


It is used in foods as a sequestrant, emulsifier, buffering agent, absorbent, pH control agent, protein modifier, source of alkalinity, stabiliser and nutrient supplement. Disodium hydrogen phosphate (Na2HPO4) is a sodium salt of phosphoric acid. It is a white powder that is highly hygroscopic and water soluble. It is therefore used commercially as an anti-caking additive in powdered products. It is also known as disodium hydrogen orthophosphate, sodium hydrogen phosphate or sodium phosphate dibasic. It is commercially available in both the hydrated and anhydrous forms. It is used in foods as a sequestrant, emulsifier, buffering agent, absorbent, pH control agent, protein modifier, source of alkalinity, stabiliser and nutrient supplement C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

2,2-Dichlorethyl ether

1,5-Dichloro-3-oxapentane

C4H8Cl2O (141.9952178)


   

2-Chloro-p-cresol

2-Chloro-4-methylphenol

C7H7ClO (142.0185402)


   

2,2-DPA

2,2-Dichloropropanoic acid

C3H4Cl2O2 (141.9588344)


   

4-Chloro-M-phenylenediamine

4-Chloro-meta-phenylenediamine

C6H7ClN2 (142.0297732)


   

Sumiki's acid

5-(Hydroxymethyl)-2-furancarboxylic acid

C6H6O4 (142.0266076)


Sumikis acid is a naturally occurring human metabolite (PMID:949837). Sumikis acid was first identified in the urine of a leukemic patient who was excreting an abnormal amount of its glycine derivative (PMID:5043270). Sumikis acid was found to be excreted by normal subjects after a phenylalanine loading, while heterozygotes for phenylketonuria dont excrete it (instead, they excrete 2-hydroxybenzeneacetic acid) (PMID:4708049). Patients receiving furan-containing sugar solutions i.v. convert 50\\\\% of the 5-hydroxymethyl-2-furfural into Sumikis acid (PMID:4202014). Sumikis acid has been found to be a byproduct of the fungus Aspergillus and probably other species of fungi and yeast as well. Sumikis acid is a naturally occurring human metabolite. (PMID: 949837) Sumikis acid was first identified in the urine of a leukemic patient who was excreting an abnormal amount of its glycine derivative. (PMID: 5043270) 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally. 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally.

   

2-(dihydroxymethyl)-5-formylfuran

2-(dihydroxymethyl)-5-formylfuran

C6H6O4 (142.0266076)


   

Carboxyphosphate

Carboxy phosphate

CH3O6P (141.9667268)


   

kojic acid

4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-

C6H6O4 (142.0266076)


A pyranone that is 4H-pyran substituted by a hydroxy group at position 5, a hydroxymethyl group at position 2 and an oxo group at position 4. It has been isolated from the fungus Aspergillus oryzae. D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.107 Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1]. Kojic acid is a natural substance produced by Aspergillus oryzae, also used as an anti-oxidant and radio-protective agent[1].

   

(e,e)-Muconate

1,3-Butadiene-1,4-dicarboxylic acid

C6H6O4 (142.0266076)


trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.

   

(+)-Muconolactone

(S)-5-Oxo-2,5-dihydrofuran-2-acetate

C6H6O4 (142.0266076)


   

Alloxan

2,4,5,6-Tetraoxohexahydropyrimidine

C4H2N2O4 (142.0014572)


Alloxan or mesoxalylurea is an organic compound based on a pyrimidine heterocyclic skeleton. This compound has a high affinity for water and therefore exists as the monohydrate. The compound was discovered by Justus von Liebig and Friedrich Wohler following the discovery of urea in 1828 and is one of the oldest named organic compounds that exist. The name is derived from allantoin, a product of uric acid excreted by the fetus into the allantois and oxaluric acid derived from oxalic acid and urea, found in urine. The original recipe for Alloxan was by oxidation of uric acid by nitric acid. Alloxan is a strong oxidizing agent and it forms a hemiacetal with its reduced reaction product dialuric acid (in which a carbonyl group is reduced to a hydroxyl group) which is called alloxantin. -- Wikipedia; Alloxane is a raw material for the production of the purple dye Murexide. Carl Wilhelm Scheele discovered the dye in 1776. Murexide is the product of the complex in-situ multistep reaction of alloxantin and gaseous ammonia. Murexide results from the condensation of the unisolated intermdiate uramil with alloxan, liberated during the course of the reaction. Scheele sourced uric acid from human calculi (such as kidney stones) and called the compound lithic acid. William Prout investigated the compound in 1818 and he used boa constrictor excrement with up to 90\\% ammonium acid urate. Liebig and Wohler in the nineteenth century coined the name murexide for the dye after the Trunculus Murex which is the source of the Tyrian purple of antiquity. Primo Levi in his world famous novel The Periodic Table in chapter Nitrogen considers pythons as a source for alloxane on behalf of a lipstick producer but he is turned down by the director of the Turin zoo because the zoo already has lucrative contracts with cosmetics companies (his attempts with chicken dung end in misery). -- Wikipedia [HMDB] Alloxan or mesoxalylurea is an organic compound based on a pyrimidine heterocyclic skeleton. This compound has a high affinity for water and therefore exists as the monohydrate. The compound was discovered by Justus von Liebig and Friedrich Wohler following the discovery of urea in 1828 and is one of the oldest named organic compounds that exist. The name is derived from allantoin, a product of uric acid excreted by the fetus into the allantois and oxaluric acid derived from oxalic acid and urea, found in urine. The original recipe for Alloxan was by oxidation of uric acid by nitric acid. Alloxan is a strong oxidizing agent and it forms a hemiacetal with its reduced reaction product dialuric acid (in which a carbonyl group is reduced to a hydroxyl group) which is called alloxantin. -- Wikipedia; Alloxane is a raw material for the production of the purple dye Murexide. Carl Wilhelm Scheele discovered the dye in 1776. Murexide is the product of the complex in-situ multistep reaction of alloxantin and gaseous ammonia. Murexide results from the condensation of the unisolated intermdiate uramil with alloxan, liberated during the course of the reaction. Scheele sourced uric acid from human calculi (such as kidney stones) and called the compound lithic acid. William Prout investigated the compound in 1818 and he used boa constrictor excrement with up to 90\\% ammonium acid urate. Liebig and Wohler in the nineteenth century coined the name murexide for the dye after the Trunculus Murex which is the source of the Tyrian purple of antiquity. Primo Levi in his world famous novel The Periodic Table in chapter Nitrogen considers pythons as a source for alloxane on behalf of a lipstick producer but he is turned down by the director of the Turin zoo because the zoo already has lucrative contracts with cosmetics companies (his attempts with chicken dung end in misery). -- Wikipedia.

   

trans-trans-Muconic acid

trans,trans-Buta-1,3-diene-1,4-dicarboxylic acid

C6H6O4 (142.0266076)


trans,trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in humans exposed to levels as low as 1 ppm. However, muconic acid may also be derived from sorbic acid and its salts. Dietary supplementation with 500 mg sorbic acid significantly increases the urinary trans,trans-muconic acid excretion. Under study conditions, 0.12\\\\% of the sorbic acid dose is excreted in urine as trans,trans-muconic acid thereby indicating that a typical dietary intake of 6-30 mg/day of sorbic acid accounts for 10-50\\\\% of the background of trans,trans-muconic acid excretion in nonsmokers, and for 5-25\\\\% in smokers (PMID: 8021961, 1487326, 9137998, Int Arch Occup Environ Health. 1997;69(4):247-51.). trans,trans-Muconic acid has been found to be a metabolite in Escherichia coli and Pseudomonas putida (PMID: 26360870). cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2]. trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.

   

5-Hydroxymaltol

3,5-Dihydroxy-2-methyl-4H-pyran-4-one (hydroxymaltol)

C6H6O4 (142.0266076)


5-Hydroxymaltol is found in cereals and cereal products. 5-Hydroxymaltol is a constituent of flavour of roast barley Hordeum vulgare. Constituent of flavour of roast barley Hordeum vulgare. 5-Hydroxymaltol is found in barley and cereals and cereal products.

   

1,2,3,4-Benzenetetrol

1,2,3,4-Benzenetetrol

C6H6O4 (142.0266076)


   

Methyl thiophene-2-carboxylate

2-Thiophenecarboxylic acid, methyl ester

C6H6O2S (142.0088496)


Methyl thiophene-2-carboxylate is a maillard produc

   

Methyl methylthio selenide

Methyl methanesulfenoselenoate, 9ci

C2H6SSe (141.9355406)


Methyl methylthio selenide is found in onion-family vegetables. Methyl methylthio selenide is a constituent of Allium sp

   

S-(2-Furanylmethyl) methanethioate

Methanethioic acid, 3-(2-furanylmethyl) ester

C6H6O2S (142.0088496)


S-(2-Furanylmethyl) methanethioate is a flavouring ingredient. Flavouring ingredient

   

Methyl 2-thiofuroate

2-Furancarbothioic acid, S-methyl ester

C6H6O2S (142.0088496)


Methyl 2-thiofuroate is a flavouring ingredient with a fried, cooked onion odour. Flavouring ingredient with a fried, cooked onion odour

   

2,3-Methylenesuccinic acid

dimethylidenebutanedioic acid

C6H6O4 (142.0266076)


2,3-Methylenesuccinic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.

   

Dimethylthiophosphate

dimethoxy(sulfanylidene)phosphinous acid

C2H7O3PS (141.98535220000002)


Dimethylthiophosphate, also known as O,O-dimethyl phosphorothionate or O,O-dimethylthiophosphoric acid, is classified as a member of the thiophosphoric acid esters. Thiophosphoric acid esters are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR)(OR)=S, where at least one R-group is an organyl group. Dimethylthiophosphate is considered to be slightly soluble (in water) and acidic. (ChemoSummarizer)

   

Cis,trans-muconate

1,3-Butadiene-1,4-dicarboxylic acid

C6H6O4 (142.0266076)


Cis,trans-muconate is also known as (e,Z)-Muconate or cis,trans-1,3-Butadiene-1,4-dicarboxylate.  Cis,trans-muconate is considered to be soluble (in water) and acidic condition. It can be found in Pseudomonas and Escherichia (https://link.springer.com/article/10.1007/BF00250491).

   

(3-Chlorophenyl)hydrazine

(3-Chlorophenyl)hydrazine

C6H7ClN2 (142.0297732)


   

1H,3H-Pyrimidine-4-one-2-thione, 1-methyl-

1-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

C5H6N2OS (142.0200826)


   

1,2-Benzenedithiol

benzene-1,2-dithiol

C6H6S2 (141.9910916)


   

2,5-Difluorobenzaldehyde

2,5-Difluorobenzaldehyde

C7H4F2O (142.0230198)


   

3,3-Dichloro-propionic acid

3,3-dichloro-propionic acid

C3H4Cl2O2 (141.9588344)


   

Benzenesulfinic acid

(R)-benzenesulfinic acid

C6H6O2S (142.0088496)


   
   

Isopropyldichloromethyl ether

Isopropyldichloromethyl ether

C4H8Cl2O (141.9952178)


   

Sodium diacetate

Sodium acetic acid acetic acid

C4H7NaO4 (142.0242022)


Flavouring agent for snack foods. Antibacterial and mold inhibitor especies for baked goods. pH control agent

   

Sodium mercaptopyruvate

Sodium 2-oxo-3-sulphanylpropanoic acid

C3H3NaO3S (141.9700608)


Flavouring ingredient

   
   

5-Hydroxy-3-methoxy-4H-pyran-4-one

5-Hydroxy-3-methoxy-4H-pyran-4-one

C6H6O4 (142.0266076)


   

Phenylsulfinic acid

BENZENESULFINIC ACID

C6H6O2S (142.0088496)


   
   

1H,3H-Pyrimidine-4-one-2-thione, 3-methyl-

1H,3H-Pyrimidine-4-one-2-thione, 3-methyl-

C5H6N2OS (142.0200826)


   

3-hydroxy-5-methoxypyran-4-one

3-hydroxy-5-methoxypyran-4-one

C6H6O4 (142.0266076)


   

1-methyl-2-thiouracil

1-methyl-2-thiouracil

C5H6N2OS (142.0200826)


   

1-(Furan-2-yl)-2,2-dihydroxyethan-1-one

1-(Furan-2-yl)-2,2-dihydroxyethan-1-one

C6H6O4 (142.0266076)


   

3-Methyl-2-thiophenecarboxylic acid

3-Methyl-2-thiophenecarboxylic acid

C6H6O2S (142.0088496)


   

2-Hydroxy-2-(hydroxymethyl)cyclopent-4-ene-1,3-dione

2-Hydroxy-2-(hydroxymethyl)cyclopent-4-ene-1,3-dione

C6H6O4 (142.0266076)


   
   

5-(Hydroxymethyl)furan-3-carboxylic acid

5-(Hydroxymethyl)furan-3-carboxylic acid

C6H6O4 (142.0266076)


   

2-Methylthio-4-pyrimidone

4(3H)-Pyrimidinone, 2-(methylthio)- (9CI)

C5H6N2OS (142.0200826)


   

2-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one

2-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one

C6H6O4 (142.0266076)


   

2-hydroxy-6-(hydroxymethyl)-4h-pyran-4-one

2-hydroxy-6-(hydroxymethyl)-4h-pyran-4-one

C6H6O4 (142.0266076)


   

2-Mercaptoethanesulfonic acid

2-Mercaptoethanesulfonic acid solution

C2H6O3S2 (141.9758366)


D020011 - Protective Agents

   

Alloxan

Alloxan

C4H2N2O4 (142.0014572)


A member of the class of pyrimidones, the structure of which is that of perhydropyrimidine substituted at C-2, -4, -5 and -6 by oxo groups.

   

cis,cis-Muconic acid

cis,cis-Muconic acid

C6H6O4 (142.0266076)


The cis,cis-isomer of muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus. cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2].

   

trans-trans-muconic acid

trans-trans-muconic acid

C6H6O4 (142.0266076)


trans,trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in humans exposed to levels as low as 1 ppm. However, muconic acid is known that may also be derived from sorbic acid and its salts. Dietary supplementation with 500 mg sorbic acid significantly increases the urinary trans,trans-Muconic acid excretion. Under study conditions 0.12\\\% of the sorbic acid dose is excreted in urine as trans, trans muconic acid thereby indicating that a typical dietary intake of 6 - 30 mg/day of sorbic acid accounts for 10 -50\\\% of the background of trans, trans muconic acid excretion in nonsmokers, and for 5 - 25\\\% in smokers. (PMID 8021961, 1487326, 9137998, Int Arch Occup Environ Health. 1997;69(4):247-51.) [HMDB] trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.

   

4-Chloro-3-methylphenol

4-Chloro-3-methylphenol

C7H7ClO (142.0185402)


CONFIDENCE standard compound; INTERNAL_ID 986; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4527; ORIGINAL_PRECURSOR_SCAN_NO 4526 C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; INTERNAL_ID 986; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4489; ORIGINAL_PRECURSOR_SCAN_NO 4487 CONFIDENCE standard compound; INTERNAL_ID 986; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4509; ORIGINAL_PRECURSOR_SCAN_NO 4507 CONFIDENCE standard compound; INTERNAL_ID 986; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4544; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 986; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4535; ORIGINAL_PRECURSOR_SCAN_NO 4534

   

5-Hydroxymethyl-2-furancarboxylic acid

5-Hydroxymethyl-2-furancarboxylic acid

C6H6O4 (142.0266076)


5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally. 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally.

   

Kojic acid_major

Kojic acid_major

C6H6O4 (142.0266076)


   

Sulpho NONOate

DISODIUM (E)-1-SULFONATODIAZEN-1-IUM-1,2-DIOLATE

H2N2O5S (141.9684442)


   

5-(hydroxymethyl)- 2-Furancarboxylic acid

5-(hydroxymethyl)- 2-Furancarboxylic acid

C6H6O4 (142.0266076)


   

Methyl thenoate

2-Thiophenecarboxylic acid, methyl ester

C6H6O2S (142.0088496)


   

Methyl methylthio selenide

Methyl methanesulfenoselenoate, 9ci

C2H6SSe (141.9355406)


   

Hydroxymaltol

3,5-Dihydroxy-2-methyl-4H-pyran-4-one (hydroxymaltol)

C6H6O4 (142.0266076)


   

Furfuryl thioformate

Methanethioic acid, 3-(2-furanylmethyl) ester

C6H6O2S (142.0088496)


   

Methyl thiofuroate

2-Furancarbothioic acid, S-methyl ester

C6H6O2S (142.0088496)


   

3,3-dichloro-propionic acid

3,3-dichloro-propionic acid

C3H4Cl2O2 (141.9588344)


   

FA 6:3;O2

(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid

C6H6O4 (142.0266076)


cis,cis-Muconic acid, a metabolic intermediate of Klebsiella pneumonia, can be converted to adipic acid and terephthalic acid, which are important monomers of synthetic polymers. cis,cis-Muconic acid is also a biochemical material that can be used for the production of various plastics and polymers and is particularly gaining attention as an adipic acid precursor for the synthesis of nylon-6,6[1][2].

   

2-Methyl-1,3-thiazole-5-carboxamide

2-Methyl-1,3-thiazole-5-carboxamide

C5H6N2OS (142.0200826)


   

3-Aminothiophene-2-carboxamide

3-Aminothiophene-2-carboxamide

C5H6N2OS (142.0200826)


   

3-chloropropanimidamide,hydrochloride

3-chloropropanimidamide,hydrochloride

C3H8Cl2N2 (142.0064508)


   

trans-3-methylenecyclopropane-1,2-dicarboxylic acid

trans-3-methylenecyclopropane-1,2-dicarboxylic acid

C6H6O4 (142.0266076)


   

5-METHYL-4-THIOXO-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE

5-METHYL-4-THIOXO-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE

C5H6N2OS (142.0200826)


   

2,2-dichloro-n-hydroxy-acetamidine

2,2-dichloro-n-hydroxy-acetamidine

C2H4Cl2N2O (141.9700674)


   

3-(Aminomethyl)-5-chloropyridine

3-(Aminomethyl)-5-chloropyridine

C6H7ClN2 (142.0297732)


   

2-Chloro-3,5-dimethylpyrazine

2-Chloro-3,5-dimethylpyrazine

C6H7ClN2 (142.0297732)


   

3-thiophenecarboxylic acid hydrazide

3-thiophenecarboxylic acid hydrazide

C5H6N2OS (142.0200826)


   

Methyl 3,3,3-trifluoropropionate

Methyl 3,3,3-trifluoropropionate

C4H5F3O2 (142.0241626)


   

2-Furancarboxylicacid,5-methoxy-(9CI)

2-Furancarboxylicacid,5-methoxy-(9CI)

C6H6O4 (142.0266076)


   

3-Amino-2-chloro-6-picoline

3-Amino-2-chloro-6-picoline

C6H7ClN2 (142.0297732)


   

2-METHYLOXAZOLE-4-CARBOXAMIDE

2-METHYLOXAZOLE-4-CARBOXAMIDE

C5H6N2OS (142.0200826)


   

3-Chloro-5-methyl-2-pyridinamine

3-Chloro-5-methyl-2-pyridinamine

C6H7ClN2 (142.0297732)


   

3-Amino-2-chloro-5-picoline

3-Amino-2-chloro-5-picoline

C6H7ClN2 (142.0297732)


   

Methyl 2-thiophenecarboxylate

Methyl 2-thiophenecarboxylate

C6H6O2S (142.0088496)


   

Pyrimidine, 4-chloro-2-ethyl- (8CI,9CI)

Pyrimidine, 4-chloro-2-ethyl- (8CI,9CI)

C6H7ClN2 (142.0297732)


   

2,5-Cyclohexadiene-1,4-dione,2-chloro-

2,5-Cyclohexadiene-1,4-dione,2-chloro-

C6H3ClO2 (141.9821568)


   

2-Chlor-4-methylpyridin-3-amin

2-Chlor-4-methylpyridin-3-amin

C6H7ClN2 (142.0297732)


   

potassium tetrafluoroaluminate

potassium tetrafluoroaluminate

AlF4K (141.93886179999998)


   

1-Propanesulfonyl chloride

1-Propanesulfonyl chloride

C3H7ClO2S (141.9855272)


   

Dimethyl acetylenedicarboxylate

Dimethyl acetylenedicarboxylate

C6H6O4 (142.0266076)


   

pentaacetyl-5-thioglucose

pentaacetyl-5-thioglucose

C6H6O4 (142.0266076)


   

CHLOROETHYL CHLOROFORMATE

CHLOROETHYL CHLOROFORMATE

C3H4Cl2O2 (141.9588344)


   

2-Chloro-4,5-dimethylpyrimidine

2-Chloro-4,5-dimethylpyrimidine

C6H7ClN2 (142.0297732)


   

o-cresol, 5-chloro-

o-cresol, 5-chloro-

C7H7ClO (142.0185402)


   

1-Chloro-2,3,3-trifluorocyclobutene

1-Chloro-2,3,3-trifluorocyclobutene

C4H2ClF3 (141.97971180000002)


   

2-(Trifluoromethyl)dioxolane

2-(Trifluoromethyl)dioxolane

C4H5F3O2 (142.0241626)


   

4-Fluoro benzyl mercaptan

4-Fluoro benzyl mercaptan

C7H7FS (142.0252474)


   

2-Chloro-5-ethylpyrimidine

2-Chloro-5-ethylpyrimidine

C6H7ClN2 (142.0297732)


   

2-Chloro-6-methyl-4-pyridinamine

2-Chloro-6-methyl-4-pyridinamine

C6H7ClN2 (142.0297732)


   

3-Fluoro-4-nitropyridine

3-Fluoro-4-nitropyridine

C5H3FN2O2 (142.017855)


   

(6-CHLOROPYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE

(6-CHLOROPYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE

C6H7ClN2 (142.0297732)


   

2-(Methylthio)pyrimidin-5-ol

2-(Methylthio)pyrimidin-5-ol

C5H6N2OS (142.0200826)


   

5-Chloropyrazine-2-carbaldehyde

5-Chloropyrazine-2-carbaldehyde

C5H3ClN2O (141.9933898)


   

(3-chloropyridin-4-yl)methanamine

(3-chloropyridin-4-yl)methanamine

C6H7ClN2 (142.0297732)


   

2-hydroxy-1-thiophen-2-ylethanone

2-hydroxy-1-thiophen-2-ylethanone

C6H6O2S (142.0088496)


   

4-Fluoro-3-nitropyridine

4-Fluoro-3-nitropyridine

C5H3FN2O2 (142.017855)


   

3-chloro-4-methylpyridin-2-amine

3-chloro-4-methylpyridin-2-amine

C6H7ClN2 (142.0297732)


   

6-chloropyridazine-3-carbaldehyde

6-chloropyridazine-3-carbaldehyde

C5H3ClN2O (141.9933898)


   

1-(5-Chloro-2-pyridinyl)methanamine

1-(5-Chloro-2-pyridinyl)methanamine

C6H7ClN2 (142.0297732)


   

2-Chloro-5-pyrimidinecarbaldehyde

2-Chloro-5-pyrimidinecarbaldehyde

C5H3ClN2O (141.9933898)


   

3-Chloroanisole

3-Chloroanisole

C7H7ClO (142.0185402)


   

Chloro(chloromethyl)dimethylsilane

Chloro(chloromethyl)dimethylsilane

C3H8Cl2Si (141.97723080000003)


   

2-Chloro-6-methylphenol

2-Chloro-6-methylphenol

C7H7ClO (142.0185402)


   

o-Cresol, 3-chloro-

o-Cresol, 3-chloro-

C7H7ClO (142.0185402)


   

2-Chloro-5-methylphenol

2-Chloro-5-methylphenol

C7H7ClO (142.0185402)


   

4-Fluoro-2-nitropyridine

4-Fluoro-2-nitropyridine

C5H3FN2O2 (142.017855)


   

3-Chloro-5-methylpyridin-4-amine

3-Chloro-5-methylpyridin-4-amine

C6H7ClN2 (142.0297732)


   

5-Methylthiophene-2-boronic acid

5-Methylthiophene-2-boronic acid

C5H7BO2S (142.0259792)


   

3-Fluoro-4-methylbenzenethiol

3-Fluoro-4-methylbenzenethiol

C7H7FS (142.0252474)


   

4-methylsulfanyl-1,3,5-triazin-2-amine

4-methylsulfanyl-1,3,5-triazin-2-amine

C4H6N4S (142.0313156)


   

3-methyl-2-thienylboronic acid

3-methyl-2-thienylboronic acid

C5H7BO2S (142.0259792)


   

(2-methylthiophen-3-yl)boronic acid

(2-methylthiophen-3-yl)boronic acid

C5H7BO2S (142.0259792)


   

4-chloro-2-methylpyridin-3-amine

4-chloro-2-methylpyridin-3-amine

C6H7ClN2 (142.0297732)


   

Thiazolo[5,4-d]isothiazole (9CI)

Thiazolo[5,4-d]isothiazole (9CI)

C4H2N2S2 (141.9659412)


   

5-Methyl-3-thiophenecarboxylic acid

5-Methyl-3-thiophenecarboxylic acid

C6H6O2S (142.0088496)


   

6-CHLORO-3,4-DIMETHYL-PYRIDAZINE

6-CHLORO-3,4-DIMETHYL-PYRIDAZINE

C6H7ClN2 (142.0297732)


   

Pyrimidine, 5-chloro-2,4-dimethyl- (9CI)

Pyrimidine, 5-chloro-2,4-dimethyl- (9CI)

C6H7ClN2 (142.0297732)


   

Pyrimidine, 5-chloro-4,6-dimethyl- (9CI)

Pyrimidine, 5-chloro-4,6-dimethyl- (9CI)

C6H7ClN2 (142.0297732)


   

2-Methylthiazole-4-carboxamide

2-Methylthiazole-4-carboxamide

C5H6N2OS (142.0200826)


   
   

2-Chloro-4,6-dimethylpyrimidine

2-Chloro-4,6-dimethylpyrimidine

C6H7ClN2 (142.0297732)


   

isopropylsulfonyl chloride

isopropylsulfonyl chloride

C3H7ClO2S (141.9855272)


   

4-Chlor-5-ethylpyrimidin

4-Chlor-5-ethylpyrimidin

C6H7ClN2 (142.0297732)


   

(4-Methyl-3-thienyl)boronic acid

(4-Methyl-3-thienyl)boronic acid

C5H7BO2S (142.0259792)


   

2-(Chloromethyl)-4-Methylpyrimidine

2-(Chloromethyl)-4-Methylpyrimidine

C6H7ClN2 (142.0297732)


   

1,2-Diamino-3-chlorobenzene

1,2-Diamino-3-chlorobenzene

C6H7ClN2 (142.0297732)


   

4-Chloro-2,5-dimethylpyrimidine

4-Chloro-2,5-dimethylpyrimidine

C6H7ClN2 (142.0297732)


   

2,3,5,6-Piperazinetetrone

2,3,5,6-Piperazinetetrone

C4H2N2O4 (142.0014572)


   

3-Fluoro-5-nitropyridine

3-Fluoro-5-nitropyridine

C5H3FN2O2 (142.017855)


   

4-(chloromethyl)pyridin-2-amine

4-(chloromethyl)pyridin-2-amine

C6H7ClN2 (142.0297732)


   

(6-CHLORO-2-METHANESULFINYL-PYRIMIDIN-4-YL)-ETHYL-AMINE

(6-CHLORO-2-METHANESULFINYL-PYRIMIDIN-4-YL)-ETHYL-AMINE

C6H7ClN2 (142.0297732)


   

1-(1H-Pyrazol-5-yl)thioure

1-(1H-Pyrazol-5-yl)thioure

C4H6N4S (142.0313156)


   

(4-chloropyridin-3-yl)methanamine

(4-chloropyridin-3-yl)methanamine

C6H7ClN2 (142.0297732)


   

3-fluorothioanisole

3-fluorothioanisole

C7H7FS (142.0252474)


   

4,6-Diaminopyrimidine-2-thiol

4,6-Diaminopyrimidine-2-thiol

C4H6N4S (142.0313156)


   

2-Butanol,1,4-dichloro-

2-Butanol,1,4-dichloro-

C4H8Cl2O (141.9952178)


   

2-Fluoro thioanisole

2-Fluoro thioanisole

C7H7FS (142.0252474)


   

2-Fluoro-3-nitropyridine

2-Fluoro-3-nitropyridine

C5H3FN2O2 (142.017855)


   

2-Aminothiophene-3-carboxamide

2-Aminothiophene-3-carboxamide

C5H6N2OS (142.0200826)


   

3-(chloromethyl)pyridin-2-amine

3-(chloromethyl)pyridin-2-amine

C6H7ClN2 (142.0297732)


   

6-Chloro-4-methylpyridin-2-amine

6-Chloro-4-methylpyridin-2-amine

C6H7ClN2 (142.0297732)


   

4-Chloro-5,6-dimethylpyrimidine

4-Chloro-5,6-dimethylpyrimidine

C6H7ClN2 (142.0297732)


   

5-Chloro-2,3-dimethylpyrazine

5-Chloro-2,3-dimethylpyrazine

C6H7ClN2 (142.0297732)


   

3,3,3-Trifluoro-2-methylpropanoic acid

3,3,3-Trifluoro-2-methylpropanoic acid

C4H5F3O2 (142.0241626)


   

4-Chlorophenylhydrazine

4-Chlorophenylhydrazine

C6H7ClN2 (142.0297732)


   

6-Chloro-4-pyrimidinecarbaldehyde

6-Chloro-4-pyrimidinecarbaldehyde

C5H3ClN2O (141.9933898)


   

2-chloro-5-ethynylthiophene

2-chloro-5-ethynylthiophene

C6H3ClS (141.9643988)


   

2,4-Difluorobenzaldehyde

2,4-Difluorobenzaldehyde

C7H4F2O (142.0230198)


   

3,5-Difluorobenzaldehyde

3,5-Difluorobenzaldehyde

C7H4F2O (142.0230198)


   

Phenylphosphinic acid

Phenylphosphinic acid

C6H7O2P (142.0183652)


   

5-Chloro-6-methyl-2-pyridinamine

5-Chloro-6-methyl-2-pyridinamine

C6H7ClN2 (142.0297732)


   

3-Chloro-5-methylphenol

3-Chloro-5-methylphenol

C7H7ClO (142.0185402)


   

2-Chloro-1,3,2-Dioxaphospholane 2-oxide

2-Chloro-1,3,2-Dioxaphospholane 2-oxide

C2H4ClO3P (141.95865940000002)


   

3-Chloro-2-pyrazinecarbaldehyde

3-Chloro-2-pyrazinecarbaldehyde

C5H3ClN2O (141.9933898)


   

2-Chlorobenzyl alcohol

2-Chlorobenzyl alcohol

C7H7ClO (142.0185402)


   

5-(METHYLTHIO)-1H-PYRAZOLE-3-CARBALDEHYDE

5-(METHYLTHIO)-1H-PYRAZOLE-3-CARBALDEHYDE

C5H6N2OS (142.0200826)


   

6-chloro-N-methylpyridin-3-amine

6-chloro-N-methylpyridin-3-amine

C6H7ClN2 (142.0297732)


   

3-(chloromethyl)phenol

3-(chloromethyl)phenol

C7H7ClO (142.0185402)


   

1-(3-hydroxythiophen-2-yl)ethanone

1-(3-hydroxythiophen-2-yl)ethanone

C6H6O2S (142.0088496)


   

3-Thienylacetic acid

3-Thienylacetic acid

C6H6O2S (142.0088496)


   

4-Chloro-3-methyl-2-pyridinamine

4-Chloro-3-methyl-2-pyridinamine

C6H7ClN2 (142.0297732)


   

2-chloro-5-methylpyridin-4-amine

2-chloro-5-methylpyridin-4-amine

C6H7ClN2 (142.0297732)


   

5-Chloro-3-methyl-2-pyridinamine

5-Chloro-3-methyl-2-pyridinamine

C6H7ClN2 (142.0297732)


   

3,4-Ethylenedioxythiophene

3,4-Ethylenedioxythiophene

C6H6O2S (142.0088496)


   

4,5-diamino-6-mercaptopyrimidine

4,5-diamino-6-mercaptopyrimidine

C4H6N4S (142.0313156)


   

5-Methly-2-thiophenecarboxylic acid

5-Methly-2-thiophenecarboxylic acid

C6H6O2S (142.0088496)


   

3-Methoxythiophene-2-carbaldehyde

3-Methoxythiophene-2-carbaldehyde

C6H6O2S (142.0088496)


   

p-chlorobenzylalcohol

4-Chlorobenzyl alcohol

C7H7ClO (142.0185402)


   

3-Chlorobenzyl alcohol

3-Chlorobenzyl alcohol

C7H7ClO (142.0185402)


   

Magnesium carbonate dihydroxymagnesium (1:1:1)

Magnesium carbonate dihydroxymagnesium (1:1:1)

CH2Mg2O5 (141.9603242)


   

6-Chloro-5-methylpyridin-2-amine

6-Chloro-5-methylpyridin-2-amine

C6H7ClN2 (142.0297732)


   

2-acetamidothiazole

2-acetamidothiazole

C5H6N2OS (142.0200826)


COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

5-Fluoro-2-nitropyridine

5-Fluoro-2-nitropyridine

C5H3FN2O2 (142.017855)


   

(3-Chloropyridin-2-yl)methanamine

(3-Chloropyridin-2-yl)methanamine

C6H7ClN2 (142.0297732)


   

5-Chloro-4-methyl-2-pyridinamine

5-Chloro-4-methyl-2-pyridinamine

C6H7ClN2 (142.0297732)


   

5-Pyrimidinecarbonyl chloride

5-Pyrimidinecarbonyl chloride

C5H3ClN2O (141.9933898)


   

2-pyrazinecarbonyl chloride

2-pyrazinecarbonyl chloride

C5H3ClN2O (141.9933898)


   

3-chloro-6-methylpyridin-2-amine

3-chloro-6-methylpyridin-2-amine

C6H7ClN2 (142.0297732)


   

2-Pyrimidinecarbonyl chloride (9CI)

2-Pyrimidinecarbonyl chloride (9CI)

C5H3ClN2O (141.9933898)


   

2,3-Difluorobenzaldehyde

2,3-Difluorobenzaldehyde

C7H4F2O (142.0230198)


   

2,6-Difluorobenzaldehyde

2,6-Difluorobenzaldehyde

C7H4F2O (142.0230198)


   

Dimethyl squarate

Dimethyl squarate

C6H6O4 (142.0266076)


   

3-Fluoro-2-nitropyridine

3-Fluoro-2-nitropyridine

C5H3FN2O2 (142.017855)


   

3-chloro-p-cresol

3-chloro-p-cresol

C7H7ClO (142.0185402)


   

2-Chloroanisole

2-Chloroanisole

C7H7ClO (142.0185402)


   

4-Amino-3-chloro-2-picoline

4-Amino-3-chloro-2-picoline

C6H7ClN2 (142.0297732)


   

3-Chloro-2,5-dimethylpyrazine

3-Chloro-2,5-dimethylpyrazine

C6H7ClN2 (142.0297732)


   

5-Amino-2-chloro-3-picoline

5-Amino-2-chloro-3-picoline

C6H7ClN2 (142.0297732)


   
   

alpha-hydroxyfuran-2-acetic acid

alpha-hydroxyfuran-2-acetic acid

C6H6O4 (142.0266076)


   
   

2-chloro-4-ethynylthiophene

2-chloro-4-ethynylthiophene

C6H3ClS (141.9643988)


   

dilithium,selenite

dilithium,selenite

Li2O3Se (141.933276)


   

2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE

2-([1,2,4]TRIAZOL-1-YL)THIOACETAMIDE

C4H6N4S (142.0313156)


   

5-Thiazolecarboxamide,4-methyl-(4CI)

5-Thiazolecarboxamide,4-methyl-(4CI)

C5H6N2OS (142.0200826)


   

2-(Chloromethyl)-5-methylpyrimidine

2-(Chloromethyl)-5-methylpyrimidine

C6H7ClN2 (142.0297732)


   

Chloropyrimidine-5-carbaldehyde

Chloropyrimidine-5-carbaldehyde

C5H3ClN2O (141.9933898)


   

2-Chloro-4-ethylpyrimidine

2-Chloro-4-ethylpyrimidine

C6H7ClN2 (142.0297732)


   

Thiophene-3-carboxamidoxime

Thiophene-3-carboxamidoxime

C5H6N2OS (142.0200826)


   

1-(2-Aminothiazol-4-yl)ethanone

1-(2-Aminothiazol-4-yl)ethanone

C5H6N2OS (142.0200826)


   

5-methoxy-6-methyl-3,4-Pyridinedicarbonitrile

5-methoxy-6-methyl-3,4-Pyridinedicarbonitrile

C6H6O4 (142.0266076)


   

4,5-diamino-2-mercaptopyrimidine

4,5-diamino-2-mercaptopyrimidine

C4H6N4S (142.0313156)


   

2,2,2-Trifluoroethyl Acetate

2,2,2-Trifluoroethyl Acetate

C4H5F3O2 (142.0241626)


   

5-Chloro-2-methylpyridin-3-amine

5-Chloro-2-methylpyridin-3-amine

C6H7ClN2 (142.0297732)


   

Sodium propynesulfonate

Sodium propynesulfonate

C3H3NaO3S (141.9700608)


   

4-Chloro-2-pyrimidinecarbaldehyde

4-Chloro-2-pyrimidinecarbaldehyde

C5H3ClN2O (141.9933898)


   

(2-chloropyridin-4-yl)methanamine

(2-chloropyridin-4-yl)methanamine

C6H7ClN2 (142.0297732)


   

4-methyl-2-thienylboronic acid

4-methyl-2-thienylboronic acid

C5H7BO2S (142.0259792)


   

4,4,4-Trifluorobutanoic acid

4,4,4-Trifluorobutanoic acid

C4H5F3O2 (142.0241626)


   

1-FURAN-2-YL-2,2-DIHYDROXY-ETHANONE

1-FURAN-2-YL-2,2-DIHYDROXY-ETHANONE

C6H6O4 (142.0266076)


   

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

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

C5H6N2OS (142.0200826)


   

Croconic acid

Croconic acid

C5H2O5 (141.9902242)


   

2-Fluoro-6-nitropyridine

2-Fluoro-6-nitropyridine

C5H3FN2O2 (142.017855)


   

1,4-BENZENEDITHIOL

1,4-BENZENEDITHIOL

C6H6S2 (141.9910916)


   

N-(1,3-thiazol-2-ylmethyl)formamide

N-(1,3-thiazol-2-ylmethyl)formamide

C5H6N2OS (142.0200826)


   

2-Chloro-3-ethylpyrazine

2-Chloro-3-ethylpyrazine

C6H7ClN2 (142.0297732)


   

Ethyl trifluoroacetate

Ethyl trifluoroacetate

C4H5F3O2 (142.0241626)


   

chlorophenylsilane

chlorophenylsilane

C6H7ClSi (142.0005532)


   

5-METHYLISOXAZOLE-3-CARBOTHIOAMIDE

5-METHYLISOXAZOLE-3-CARBOTHIOAMIDE

C5H6N2OS (142.0200826)


   

6-Chloro-2-methylpyridin-3-amine

6-Chloro-2-methylpyridin-3-amine

C6H7ClN2 (142.0297732)


   

4-(chloromethyl)-2-methylpyrimidine

4-(chloromethyl)-2-methylpyrimidine

C6H7ClN2 (142.0297732)


   

2-Thiophenecarbohydrazide

2-Thiophenecarbohydrazide

C5H6N2OS (142.0200826)


   

1,2-Dichloro-1-ethoxyethane

1,2-Dichloro-1-ethoxyethane

C4H8Cl2O (141.9952178)


   

2,5-Dihydroxythiophenol

2,5-Dihydroxythiophenol

C6H6O2S (142.0088496)


   

4-Methylthiophene-3-carboxylic acid

4-Methylthiophene-3-carboxylic acid

C6H6O2S (142.0088496)


   

2-Fluoro-4-nitropyridine

2-Fluoro-4-nitropyridine

C5H3FN2O2 (142.017855)


   

2-Fluoro-5-nitropyridine

2-Fluoro-5-nitropyridine

C5H3FN2O2 (142.017855)


   

6-Chloro-N-methyl-2-pyridinamine

6-Chloro-N-methyl-2-pyridinamine

C6H7ClN2 (142.0297732)


   

4-Methyl-6-mercapto-2-pyrimidinol

4-Methyl-6-mercapto-2-pyrimidinol

C5H6N2OS (142.0200826)


   

2-Chloro-m-cresol

2-Chloro-m-cresol

C7H7ClO (142.0185402)


   

1,3-benzenedithiol

1,3-benzenedithiol

C6H6S2 (141.9910916)


   

3,4-Difluorobenzaldehyde

3,4-Difluorobenzaldehyde

C7H4F2O (142.0230198)


   

4(3H)-Pyrimidinethione,2,6-diamino-

4(3H)-Pyrimidinethione,2,6-diamino-

C4H6N4S (142.0313156)


   

(2-chloropyridin-3-yl)methanamine

(2-chloropyridin-3-yl)methanamine

C6H7ClN2 (142.0297732)


   
   

2,3-Dichloropropionic acid

2,3-Dichloropropionic acid

C3H4Cl2O2 (141.9588344)


   

4-CHLORO-2,6-DIMETHYLPYRIMIDINE

4-CHLORO-2,6-DIMETHYLPYRIMIDINE

C6H7ClN2 (142.0297732)


   

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

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

C5H6N2OS (142.0200826)


   

Potassium 3-hydroxybutyrate

Potassium 3-hydroxybutyrate

C4H7KO3 (142.0032252)


   

potassium(R) 3-hydroxybutyrate

potassium(R) 3-hydroxybutyrate

C4H7KO3 (142.0032252)


   

PYRIMIDINE-4-CARBONYLCHLORIDE

PYRIMIDINE-4-CARBONYLCHLORIDE

C5H3ClN2O (141.9933898)


   

n-hydroxy-2-thiophenecarboximidamide

n-hydroxy-2-thiophenecarboximidamide

C5H6N2OS (142.0200826)


   

ALUMINUM POTASSIUM FLUORIDE

ALUMINUM POTASSIUM FLUORIDE

AlF4K (141.93886179999998)


   

4-methoxy-thiophene-2-carboxaldehyde

4-methoxy-thiophene-2-carboxaldehyde

C6H6O2S (142.0088496)


   

Methyl thiophene-3-carboxylate

Methyl thiophene-3-carboxylate

C6H6O2S (142.0088496)


   

Ethane,1-chloro-2-(methylsulfonyl)-

Ethane,1-chloro-2-(methylsulfonyl)-

C3H7ClO2S (141.9855272)


   

Methyldichloroacetate

Methyl dichloroacetate

C3H4Cl2O2 (141.9588344)


   

4-Fluoro-2-methylbenzenethiol

4-Fluoro-2-methylbenzenethiol

C7H7FS (142.0252474)


   

2,4-Diamino-6-mercaptopyrimidine

2,4-Diamino-6-mercaptopyrimidine

C4H6N4S (142.0313156)


   

o-Hydroxybenzylchloride

o-Hydroxybenzylchloride

C7H7ClO (142.0185402)


   

Difluoromethylthioacetic acid

Difluoromethylthioacetic acid

C3H4F2O2S (141.9900068)


   

2-Chloro-3-methylaminopyridine

2-Chloro-3-methylaminopyridine

C6H7ClN2 (142.0297732)


   

2-Chloro-1,4-diaminobenzene

2-Chloro-1,4-diaminobenzene

C6H7ClN2 (142.0297732)


   

5-Chloro-1,3-benzenediamine

5-Chloro-1,3-benzenediamine

C6H7ClN2 (142.0297732)


   

5-(Chloromethyl)-2-methylpyrimidine

5-(Chloromethyl)-2-methylpyrimidine

C6H7ClN2 (142.0297732)


   

(4-Chloropyridin-2-yl)methanamine

(4-Chloropyridin-2-yl)methanamine

C6H7ClN2 (142.0297732)


   

5-Chloro-6-methylpyridin-3-amine

5-Chloro-6-methylpyridin-3-amine

C6H7ClN2 (142.0297732)


   

1-Chloro-4-methoxybenzene

1-Chloro-4-methoxybenzene

C7H7ClO (142.0185402)


   

4-Fluoro thioanisole

4-Fluoro thioanisole

C7H7FS (142.0252474)


   

4-Hydroxybenzyl chloride

4-Hydroxybenzyl chloride

C7H7ClO (142.0185402)


   

2-chloropyrimidine-4-carbaldehyde

2-chloropyrimidine-4-carbaldehyde

C5H3ClN2O (141.9933898)


   

2-chloro-N-methylpyridin-4-amine

2-chloro-N-methylpyridin-4-amine

C6H7ClN2 (142.0297732)


   

2-Methylthiophene-3-carboxylic acid

2-Methylthiophene-3-carboxylic acid

C6H6O2S (142.0088496)


   

6-Chloro-2-pyrazinecarbaldehyde

6-Chloro-2-pyrazinecarbaldehyde

C5H3ClN2O (141.9933898)


   

3-Amino-6-chloro-4-picoline

3-Amino-6-chloro-4-picoline

C6H7ClN2 (142.0297732)


   

5-Chloro-2-methylpyridin-4-amine

5-Chloro-2-methylpyridin-4-amine

C6H7ClN2 (142.0297732)


   

4-Chloro-6-ethylpyrimidine

4-Chloro-6-ethylpyrimidine

C6H7ClN2 (142.0297732)


   

3-Chloro-4-ethylpyridazine

3-Chloro-4-ethylpyridazine

C6H7ClN2 (142.0297732)


   

5-methoxythiophene-2-carbaldehyde

5-methoxythiophene-2-carbaldehyde

C6H6O2S (142.0088496)


   

5-chloropyrimidine-2-carbaldehyde

5-chloropyrimidine-2-carbaldehyde

C5H3ClN2O (141.9933898)


   

Sodium Phosphate P-32

Sodium Phosphate P-32

HNa2O4P (141.9407876)


V - Various > V10 - Therapeutic radiopharmaceuticals > V10X - Other therapeutic radiopharmaceuticals > V10XX - Various therapeutic radiopharmaceuticals C1446 - Radiopharmaceutical Compound > C129819 - Antineoplastic Radiopharmaceutical Agent C274 - Antineoplastic Agent

   

2-Hydroxyethyl phosphate

2-Hydroxyethyl phosphate

C2H7O5P (142.0031102)


   

(2-Chlorophenyl)hydrazine

(2-Chlorophenyl)hydrazine

C6H7ClN2 (142.0297732)


   

1H,3H-Pyrimidine-4-one-2-thione, 1-methyl-

1H,3H-Pyrimidine-4-one-2-thione, 1-methyl-

C5H6N2OS (142.0200826)


   

Hexafluorosilicate

Hexafluorosilicate

F6Si-2 (141.9673472)


D020011 - Protective Agents > D002327 - Cariostatic Agents > D005459 - Fluorides

   

2-Chloro-1,3,2-oxathiaphospholane

2-Chloro-1,3,2-oxathiaphospholane

C2H4ClOPS (141.94090140000003)


   

magnesium acetate

magnesium acetate

C4H6MgO4 (142.0116576)


   

Sumikis acid

InChI=1\C6H6O4\c7-3-4-1-2-5(10-4)6(8)9\h1-2,7H,3H2,(H,8,9

C6H6O4 (142.0266076)


5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally. 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally.

   
   

2-Methyleneglutarate

2-Methyleneglutarate

C6H6O4-2 (142.0266076)


   

N-formylmaleamate

N-formylmaleamate

C5H4NO4- (142.0140324)


   

(S)-5-oxo-2,5-dihydro-2-furylacetic acid

(S)-5-oxo-2,5-dihydro-2-furylacetic acid

C6H6O4 (142.0266076)


   

(R)-3-methylitaconate

(R)-3-methylitaconate

C6H6O4-2 (142.0266076)


   

2-Amino-3,3,3-trifluoropropanoate

2-Amino-3,3,3-trifluoropropanoate

C3H3F3NO2- (142.0115874)


   

3-Methyl-2-pentenedioate

3-Methyl-2-pentenedioate

C6H6O4-2 (142.0266076)


   

1,2-Dihydroxyethylphosphonic acid

1,2-Dihydroxyethylphosphonic acid

C2H7O5P (142.0031102)


   

(2Z,5Z)-6-hydroxy-4-oxohexa-2,5-dienoic acid

(2Z,5Z)-6-hydroxy-4-oxohexa-2,5-dienoic acid

C6H6O4 (142.0266076)


   

(2E,5Z)-6-hydroxy-4-oxohexa-2,5-dienoic acid

(2E,5Z)-6-hydroxy-4-oxohexa-2,5-dienoic acid

C6H6O4 (142.0266076)


   

Michaelis buffer

Acetic acid, sodium salt (2:1)

C4H7NaO4 (142.0242022)


   

sodium mercaptopyruvate

sodium mercaptopyruvate

C3H3NaO3S (141.9700608)


   

Cyclobutane-1,1-dicarboxylate

Cyclobutane-1,1-dicarboxylate

C6H6O4-2 (142.0266076)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D000970 - Antineoplastic Agents

   

2-Methyl-3-methylidenebutanedioate

2-Methyl-3-methylidenebutanedioate

C6H6O4-2 (142.0266076)


   
   

(R)-5-oxo-2,5-dihydro-2-furylacetic acid

(R)-5-oxo-2,5-dihydro-2-furylacetic acid

C6H6O4 (142.0266076)


   

methylthiouracil

methylthiouracil

C5H6N2OS (142.0200826)


H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent Methylthiouracil is an antithyroid agent. Methylthiouracil suppresses the production TNF-α and IL-6, and the activation of NF-κB and ERK1/2. Methylthiouracil is an antithyroid agent. Methylthiouracil suppresses the production TNF-α and IL-6, and the activation of NF-κB and ERK1/2.

   

4-CHLORO-2-METHYLPHENOL

4-CHLORO-2-METHYLPHENOL

C7H7ClO (142.0185402)


   

2,2-Dichloropropionic acid

2,2-Dichloropropionic acid

C3H4Cl2O2 (141.9588344)


   

1,2,3,5-Tetrahydroxybenzene

1,2,3,5-Tetrahydroxybenzene

C6H6O4 (142.0266076)


   

5-oxo-4,5-dihydro-2-furylacetic acid

5-oxo-4,5-dihydro-2-furylacetic acid

C6H6O4 (142.0266076)


The 4,5-dihydro- derivative of 5-oxo-2-furylacetic acid.

   

cis,trans-Muconic acid

cis,trans-Muconic acid

C6H6O4 (142.0266076)


   

Carboxy phosphate

Carboxy phosphate

CH3O6P (141.9667268)


   

(2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid

(2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid

C6H6O4 (142.0266076)


   

Disodium phosphate

Disodium hydrogenorthophosphate

Na2HPO4 (141.9407876)


C78275 - Agent Affecting Blood or Body Fluid > C29730 - Electrolyte Replacement Agent

   

Chlorocresol

4-Chloro-3-methylphenol

C7H7ClO (142.0185402)


C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D016573 - Agrochemicals D010575 - Pesticides Same as: D03468

   

trans,trans-Muconic Acid

trans,trans-Muconic Acid

C6H6O4 (142.0266076)


The trans,trans-isomer of muconic acid. It is metabolite of benzene in humans and serves as a biomarker of occupational exposure to benzene. trans-trans-Muconic acid is a urinary metabolite of benzene and has been used as a biomarker of exposure to benzene in human.

   

Methyl thiophene-2-carboxylate

Methyl thiophene-2-carboxylate

C6H6O2S (142.0088496)


   

5-Hydroxymaltol

5-Hydroxymaltol

C6H6O4 (142.0266076)


   

Methyl 2-thiofuroate

2-(Carbomethoxy)thiophene

C6H6O2S (142.0088496)


   

2,3-Methylenesuccinic acid

2,3-Methylenesuccinic acid

C6H6O4 (142.0266076)


   

1,2,3,4-Benzenetetrol

1,2,3,4-Benzenetetrol

C6H6O4 (142.0266076)


   

(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid

(2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid

C6H6O4 (142.0266076)


   

5-Hydroxymethyl-2-furoic acid

5-Hydroxymethyl-2-furoic acid

C6H6O4 (142.0266076)


A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a hydroxymethyl group. 5-(Hydroxymethyl)-2-furancarboxylic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6338-41-6 (retrieved 2024-07-16) (CAS RN: 6338-41-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally. 5-Hydroxymethyl-2-furancarboxylic acid is the main metabolite of 5-hydroxymethyl-2-furfural (HMF) in the body and eliminated renally.

   

Muconic acid

Muconic acid

C6H6O4 (142.0266076)


A hexadienedioic acid with unsaturation at positions 2 and 4.

   
   

Thienylacetic acid

Thienylacetic acid

C6H6O2S (142.0088496)


   

2-hydroxy-3-oxo-6h-pyran-2-carbaldehyde

2-hydroxy-3-oxo-6h-pyran-2-carbaldehyde

C6H6O4 (142.0266076)


   

benzene-1,2,3,4-tetrol

benzene-1,2,3,4-tetrol

C6H6O4 (142.0266076)


   

7-chlorohepta-2,3-dien-5-yn-1-ol

7-chlorohepta-2,3-dien-5-yn-1-ol

C7H7ClO (142.0185402)


   

5-hydroxy-4-(hydroxymethyl)pyran-2-one

5-hydroxy-4-(hydroxymethyl)pyran-2-one

C6H6O4 (142.0266076)


   

3-hydroxy-2-(hydroxymethyl)pyran-4-one

3-hydroxy-2-(hydroxymethyl)pyran-4-one

C6H6O4 (142.0266076)


   

5-hydroxy-3-methylfuran-2-carboxylic acid

5-hydroxy-3-methylfuran-2-carboxylic acid

C6H6O4 (142.0266076)