Exact Mass: 167.942204

Exact Mass Matches: 167.942204

Found 113 metabolites which its exact mass value is equals to given mass value 167.942204, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Phosphoenolpyruvic acid

Phosphoenolpyruvic Acid Trisodium Salt monohydrate

C3H5O6P (167.98237600000002)


Phosphoenolpyruvate, also known as pep or 2-(phosphonooxy)-2-propenoic acid, is a member of the class of compounds known as phosphate esters. Phosphate esters are organic compounds containing phosphoric acid ester functional group, with the general structure R1P(=O)(R2)OR3. R1,R2 = O,N, or halogen atom; R3 = organyl group. Phosphoenolpyruvate is soluble (in water) and an extremely strong acidic compound (based on its pKa). Phosphoenolpyruvate can be found in a number of food items such as okra, endive, chestnut, and dandelion, which makes phosphoenolpyruvate a potential biomarker for the consumption of these food products. Phosphoenolpyruvate can be found primarily in blood, cellular cytoplasm, and saliva, as well as in human prostate tissue. Phosphoenolpyruvate exists in all living species, ranging from bacteria to humans. In humans, phosphoenolpyruvate is involved in several metabolic pathways, some of which include glycolysis, amino sugar metabolism, gluconeogenesis, and glycogenosis, type IC. Phosphoenolpyruvate is also involved in several metabolic disorders, some of which include glycogen storage disease type 1A (GSD1A) or von gierke disease, salla disease/infantile sialic acid storage disease, phosphoenolpyruvate carboxykinase deficiency 1 (PEPCK1), and pyruvate dehydrogenase complex deficiency. Phosphoenolpyruvate (2-phosphoenolpyruvate, PEP) as the ester derived from the enol of pyruvate and phosphate. It exists as an anion; the parent acid, which is only of theoretical interest, is phosphoenolpyruvic acid. PEP is an important intermediate in biochemistry. It has the highest-energy phosphate bond found (−61.9 kJ/mol) in living organisms, and is involved in glycolysis and gluconeogenesis. In plants, it is also involved in the biosynthesis of various aromatic compounds, and in carbon fixation; in bacteria, it is also used as the source of energy for the phosphotransferase system . Phosphoenolpyruvate (PEP) is an important chemical compound in biochemistry. It has a high energy phosphate bond, and is involved in glycolysis and gluconeogenesis. In glycolysis, PEP is formed by the action of the enzyme enolase on 2-phosphoglycerate. Metabolism of PEP to pyruvate by pyruvate kinase (PK) generates 1 molecule of adenosine triphosphate (ATP) via substrate-level phosphorylation. ATP is one of the major currencies of chemical energy within cells. In gluconeogenesis, PEP is formed from the decarboxylation of oxaloacetate and hydrolysis of 1 guanosine triphosphate molecule. This reaction is catalyzed by the enzyme phosphoenolpyruvate carboxykinase (PEPCK). This reaction is a rate-limiting step in gluconeogenesis. (wikipedia). [Spectral] Phosphoenolpyruvate (exact mass = 167.98237) and 6-Phospho-D-gluconate (exact mass = 276.02463) 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. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID P007

   
   

3-Sulfopyruvic acid

2-Carboxy-2-oxoethanesulphonic acid

C3H4O6S (167.9728604)


Sulfopyruvate, also known as 2-carboxy-2-oxoethanesulfonic acid or beta-sulfopyruvic acid, belongs to alpha-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Sulfopyruvate is soluble (in water) and an extremely strong acidic compound (based on its pKa). Sulfopyruvate can be found in a number of food items such as french plantain, sago palm, sweet cherry, and ostrich fern, which makes sulfopyruvate a potential biomarker for the consumption of these food products. Sulfopyruvate exists in all living organisms, ranging from bacteria to humans. 3-Sulfopyruvic acid is the product of the transamination of cysteinesulfonate in a reaction catalyzed by aspartate aminotransferase. 3-sulfopyruvic acid is stable and is reduced by malate dehydrogenase to beta-sulfolactate, which is excreted in the urine. Cysteinesulfonate, 3-sulfopyruvic acid, and beta-sulfolactate are reversibly interconverted in vivo. (PMID: 3346220).

   

Hydroxypyruvaldehyde phosphate

Hydroxypyruvaldehyde phosphate

C3H5O6P (167.98237600000002)


   

Tioxolone

THIOXOLONE

C7H4O3S (167.9881154)


D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AB - Preparations containing sulfur C78284 - Agent Affecting Integumentary System > C29700 - Astringent

   

Methyl (2-propenylthio) selenide

3-[(Methylselanyl)sulphanyl]prop-1-ene

C4H8SSe (167.9511898)


Methyl (2-propenylthio) selenide is found in onion-family vegetables. Methyl (2-propenylthio) selenide is a constituent of Allium sp

   

Methyl 1-propene-1-sulfenoselenoate

(1E)-1-[(Methylselanyl)sulphanyl]prop-1-ene

C4H8SSe (167.9511898)


Methyl 1-propene-1-sulfenoselenoate is found in onion-family vegetables. Methyl 1-propene-1-sulfenoselenoate is a constituent of Allium sp

   

L-glyceraldehyde 3-phosphate

Glyceraldehyde 3-phosphoric acid dianion

C3H5O6P (167.98237600000002)


L-glyceraldehyde 3-phosphate, also known as 3 phosphoglyceraldehyde, is a member of the class of compounds known as glyceraldehyde-3-phosphates. Glyceraldehyde-3-phosphates are compounds containing a glyceraldehyde substituted at position O3 by a phosphate group. L-glyceraldehyde 3-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). L-glyceraldehyde 3-phosphate can be found in a number of food items such as fruits, cowpea, common sage, and brussel sprouts, which makes L-glyceraldehyde 3-phosphate a potential biomarker for the consumption of these food products.

   
   

4-Hydroxy-1,2-dithiolane-3-methanol 2-oxide

4-Hydroxy-1,2-dithiolane-3-methanol 2-oxide

C4H8O3S2 (167.9914858)


   

3,3-dichloro-acrylic acid ethyl ester

3,3-dichloro-acrylic acid ethyl ester

C5H6Cl2O2 (167.9744836)


   

1,2-Dithiolane-3-methanol, 4-hydroxy-, 1-oxide

1,2-Dithiolane-3-methanol, 4-hydroxy-, 1-oxide

C4H8O3S2 (167.9914858)


   

3,4-Dichloro-5-hydroxyfuran-2(5H)-one

3,4-Dichloro-5-hydroxyfuran-2(5H)-one

C4H2Cl2O3 (167.9381002)


   
   

2-dihydroxyphosphinoyloxyacrylic acid

Phosphoenolpyruvic Acid Trisodium Salt monohydrate

C3H5O6P (167.98237600000002)


   

Phosphoenolpyruvic acid

2-dihydroxyphosphinoyloxyacrylic acid

C3H5O6P (167.98237600000002)


A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis.

   

phosphoenolpyruvate

2-dihydroxyphosphinoyloxyacrylic acid

C3H5O6P (167.98237600000002)


   

Allylthio methyl selenide

3-[(methylselanyl)sulfanyl]prop-1-ene

C4H8SSe (167.9511898)


   

4-Thia-5-selena-2-hexene

(1E)-1-[(methylselanyl)sulfanyl]prop-1-ene

C4H8SSe (167.9511898)


   

5-Chloro-2,4,6-trifluoropyrimidine

5-Chloro-2,4,6-trifluoropyrimidine

C4ClF3N2 (167.97021059999997)


   

1,2-Difluoro-1,1,2-trichloroethane

1,2-Difluoro-1,1,2-trichloroethane

C2HCl3F2 (167.91119)


   

TRIFLUOROMETHANESULFONYLCHLORIDE

TRIFLUOROMETHANESULFONYLCHLORIDE

CClF3O2S (167.92596460000001)


   

ethyl bromoacetate-2,2-d2

ethyl bromoacetate-2,2-d2

C4H5BrD2O2 (167.975492556)


   

4-Chloro-1-benzothiophene

4-Chloro-1-benzothiophene

C8H5ClS (167.980048)


   

manganese(iii) phosphate hydrate

manganese(iii) phosphate hydrate

H2MnO5P (167.90203319999998)


   

1,2,2-Trichloro-1,1-difluoroethane

1,2,2-Trichloro-1,1-difluoroethane

C2HCl3F2 (167.91119)


   

1-Bromo-2-(methoxymethoxy)ethane

1-Bromo-2-(methoxymethoxy)ethane

C4H9BrO2 (167.9785874)


   

1,1,2,2-tetrachloroethane-d2

1,1,2,2-tetrachloroethane-d2

C2Cl4D2 (167.903615556)


   

basic yellow 40

basic yellow 40

GaH3O4S (167.9007868)


   

Potassium 3-sulfotrioxidan-1-ide

Potassium 3-sulfotrioxidan-1-ide

HKO6S (167.9130946)


   

Phenylarsine oxide

Phenylarsine oxide

C6H5AsO (167.95563399999998)


D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors

   

flupropanate-sodium

flupropanate-sodium

C3HF4NaO2 (167.9810374)


   

Bromo-PEG2-alcohol

Bromo-PEG2-alcohol

C4H9BrO2 (167.9785874)


   

2,2-DICHLORO-1-METHYLCYCLOPROPANECARBOXYLIC ACID

2,2-DICHLORO-1-METHYLCYCLOPROPANECARBOXYLIC ACID

C5H6Cl2O2 (167.9744836)


   

3,4-Dichloro-5-hydroxy-2(5H)-furanone

3,4-Dichloro-5-hydroxy-2(5H)-furanone

C4H2Cl2O3 (167.9381002)


   

Calcium phosphinate

Calcium hypophosphite

CaH2O4P2 (167.90542620000002)


Dietary supplement

   

magnesium,2-oxopentanedioic acid

magnesium,2-oxopentanedioic acid

C5H4MgO5 (167.99092339999999)


   

5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole

5-Chloro-3-(chloromethyl)-1,2,4-thiadiazole

C3H2Cl2N2S (167.9315752)


   

1-Chloro-1,1,3,3,3-pentafluoropropane

1-Chloro-1,1,3,3,3-pentafluoropropane

C3H2ClF5 (167.9765182)


   

Cyclohexanehexone

Cyclohexanehexone

C6O6 (167.96949)


   

(2S)-2-aminopropanamide,hydrobromide

(2S)-2-aminopropanamide,hydrobromide

C3H9BrN2O (167.98982039999999)


   

1-Bromo-2-chloro-2-butene

1-Bromo-2-chloro-2-butene

C4H6BrCl (167.9341366)


   

7-Chlorobenzo[b]thiophene

7-Chlorobenzo[b]thiophene

C8H5ClS (167.980048)


   

Sodium hexafluorophosphate

Sodium hexafluorophosphate

F6NaP (167.95395219999997)


   
   

CALCIUM ITACONATE

CALCIUM ITACONATE

C5H4CaO4 (167.9735494)


   

Cesium hydroxide

Cesium hydroxide

H3CsO2 (167.9187368)


   

3H-1,2-BENZODITHIOL-3-ONE

3H-1,2-BENZODITHIOL-3-ONE

C7H4OS2 (167.9703574)


   

Silicic acid, aluminum potassium sodium salt

Silicic acid, aluminum potassium sodium salt

AlH3KNaO3Si (167.9201658)


   

1-bromo-3-methoxypropan-1-ol

1-bromo-3-methoxypropan-1-ol

C4H9BrO2 (167.9785874)


   

dimethylmalonyl chloride

dimethylmalonyl chloride

C5H6Cl2O2 (167.9744836)


   

Thiazolo[4,5-c]pyridine-2-thiol

Thiazolo[4,5-c]pyridine-2-thiol

C6H4N2S2 (167.9815904)


   

5-trifluoromethylthiophene-3-one

5-trifluoromethylthiophene-3-one

C5H3F3OS (167.98567039999998)


   

1,1,1,2-tetrachloroethane-d2

1,1,1,2-tetrachloroethane-d2

C2Cl4D2 (167.903615556)


   

1,2-Butanediol, 4-bromo-

1,2-Butanediol, 4-bromo-

C4H9BrO2 (167.9785874)


   

6-Chloro-1-benzothiophene

6-Chloro-1-benzothiophene

C8H5ClS (167.980048)


   

1,3-benzodithiol-2-one

1,3-benzodithiol-2-one

C7H4OS2 (167.9703574)


   

pyrido[3,2-d][1,3]thiazole-2-thiol

pyrido[3,2-d][1,3]thiazole-2-thiol

C6H4N2S2 (167.9815904)


   

4,5-Dicyano-1,3-dithiol-2-one

4,5-Dicyano-1,3-dithiol-2-one

C5N2OS2 (167.945207)


   
   

glutaryl dichloride

glutaryl dichloride

C5H6Cl2O2 (167.9744836)


   

1-bromo-3-chlorocyclobutane

1-bromo-3-chlorocyclobutane

C4H6BrCl (167.9341366)


   

allyl iodide

allyl iodide

C3H5I (167.9436)


   

5-Chloro-1-benzothiophene

5-Chloro-1-benzothiophene

C8H5ClS (167.980048)


   

3,3-Dichlorocyclobutanecarboxylic acid

3,3-Dichlorocyclobutanecarboxylic acid

C5H6Cl2O2 (167.9744836)


   

5-CHLORO-4-(CHLOROMETHYL)-1,2,3-THIADIAZOLE

5-CHLORO-4-(CHLOROMETHYL)-1,2,3-THIADIAZOLE

C3H2Cl2N2S (167.9315752)


   

Thieno[2,3-d]pyrimidine-4-thiol

Thieno[2,3-d]pyrimidine-4-thiol

C6H4N2S2 (167.9815904)


   

5-Hydroxy-1,3-benzoxathiol-2-one

5-Hydroxy-1,3-benzoxathiol-2-one

C7H4O3S (167.9881154)


   

Ethane,1-bromo-2-(ethylthio)-

Ethane,1-bromo-2-(ethylthio)-

C4H9BrS (167.9608294)


   

nickel(ii) fluoride tetrahydrate

nickel(ii) fluoride tetrahydrate

F2H8NiO4 (167.9744102)


   

Bromoacetaldehyde dimethyl acetal

Bromoacetaldehyde dimethyl acetal

C4H9BrO2 (167.9785874)


   

2,4-Pentanedione,1,5-dichloro-

2,4-Pentanedione,1,5-dichloro-

C5H6Cl2O2 (167.9744836)


   

(S)-(-)-2-Bromo-3-hydroxypropanoicacid

(S)-(-)-2-Bromo-3-hydroxypropanoicacid

C3H5BrO3 (167.942204)


   

THIAZOLO[4,5-B]PYRIDINE-2(3H)-THIONE

THIAZOLO[4,5-B]PYRIDINE-2(3H)-THIONE

C6H4N2S2 (167.9815904)


   

THIENO[3,2-B]THIOPHENE-2-CARBALDEHYDE

THIENO[3,2-B]THIOPHENE-2-CARBALDEHYDE

C7H4OS2 (167.9703574)


   

2-iodoprop-1-ene

2-iodoprop-1-ene

C3H5I (167.9436)


   
   

(2-Hydroxy-3-oxopropyl) phosphate

(2-Hydroxy-3-oxopropyl) phosphate

C3H5O6P-2 (167.98237600000002)


   
   

Glycerone phosphate(2-)

Glycerone phosphate(2-)

C3H5O6P-2 (167.98237600000002)


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

   

D-glyceraldehyde 3-phosphate(2-)

D-glyceraldehyde 3-phosphate(2-)

C3H5O6P-2 (167.98237600000002)


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

   

L-Selenocysteine

L-Selenocysteine

C3H6NO2Se (167.9563726)


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

   
   

(2S)-3-Sulfolactate

(2S)-3-Sulfolactate

C3H4O6S-2 (167.9728604)


   

2-Hydroxy-3-sulfonatopropanoate

2-Hydroxy-3-sulfonatopropanoate

C3H4O6S-2 (167.9728604)


   

(2R)-2-(sulfonatooxy)propanoate

(2R)-2-(sulfonatooxy)propanoate

C3H4O6S-2 (167.9728604)


   
   

(S)-2-(sulfonatooxy)propanoate

(S)-2-(sulfonatooxy)propanoate

C3H4O6S-2 (167.9728604)


   

2-(Sulfooxy)propanoic acid

2-(Sulfooxy)propanoic acid

C3H4O6S-2 (167.9728604)


   
   

Disilicate(6-)

Disilicate(6-)

O7Si2-6 (167.918261)


   
   

pentafluoridooxidochromate(V)

pentafluoridooxidochromate(V)

CrF5H5O (167.96656399999998)


   

2-Amino-3-hydroxy-3-oxopropane-1-selenolate

2-Amino-3-hydroxy-3-oxopropane-1-selenolate

C3H6NO2Se- (167.9563726)


   

(2R)-2-amino-3-hydroxy-3-oxopropane-1-selenolate

(2R)-2-amino-3-hydroxy-3-oxopropane-1-selenolate

C3H6NO2Se- (167.9563726)


   

(2S)-2-amino-3-hydroxy-3-oxopropane-1-selenolate

(2S)-2-amino-3-hydroxy-3-oxopropane-1-selenolate

C3H6NO2Se- (167.9563726)


   
   

Glycerone phosphate(2-)

Glycerone phosphate(2-)

C3H5O6P (167.98237600000002)


A dianionic form of glycerone phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

   

D-glyceraldehyde 3-phosphate(2-)

D-glyceraldehyde 3-phosphate(2-)

C3H5O6P (167.98237600000002)


Dianion of D-glyceraldehyde 3-phosphate arising from deprotonation of both OH groups of the phosphate.

   

(S)-3-sulfonatolactate(2-)

(S)-3-sulfonatolactate(2-)

C3H4O6S (167.9728604)


An optically active form of (S)-3-sulfonatolactate having (S)-configuration.

   

glyceraldehyde 3-phosphate(2-)

glyceraldehyde 3-phosphate(2-)

C3H5O6P (167.98237600000002)


An organophosphate oxoanion taht is the dianion of glyceraldehyde 3-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

   

Methyl 1-propene-1-sulfenoselenoate

Methyl 1-propene-1-sulfenoselenoate

C4H8SSe (167.9511898)


   

D-selenocysteinate(1-)

D-selenocysteinate(1-)

C3H6NO2Se (167.9563726)


   

3-Sulfopyruvic acid

3-Sulfopyruvic acid

C3H4O6S (167.9728604)


A carboxyalkanesulfonic acid comprising pyruvic acid with a sulfo group attached at the C-3 position.

   

L-selenocysteinate(1-)

L-selenocysteinate(1-)

C3H6NO2Se (167.9563726)


   

selenocysteinate(1-)

selenocysteinate(1-)

C3H6NO2Se (167.9563726)


   

4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

(1s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

(1s,4r,5r)-4-hydroxy-5-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

3,4-dichloro-5-hydroxy-5h-furan-2-one

3,4-dichloro-5-hydroxy-5h-furan-2-one

C4H2Cl2O3 (167.9381002)


   

(1s,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

(1s,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

(1r,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

(1r,3r,4r)-4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

4-hydroxy-3-(hydroxymethyl)-1,2-dithiolan-1-ium-1-olate

C4H8O3S2 (167.9914858)


   

(5r)-3,4-dichloro-5-hydroxy-5h-furan-2-one

(5r)-3,4-dichloro-5-hydroxy-5h-furan-2-one

C4H2Cl2O3 (167.9381002)