Exact Mass: 185.9978444

Exact Mass Matches: 185.9978444

Found 65 metabolites which its exact mass value is equals to given mass value 185.9978444, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

D-Glycerate 3-phosphate

(2R)-2-Hydroxy-3-(phosphonatooxy)propanoic acid

C3H7O7P (185.9929402)


3-phospho-d-glyceric acid, also known as 3-phosphoglycerate or D-glycerate 3-phosphate, belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 3-phospho-d-glyceric acid is soluble (in water) and a moderately acidic compound (based on its pKa). 3-phospho-d-glyceric acid can be found in a number of food items such as towel gourd, orange mint, guava, and mulberry, which makes 3-phospho-d-glyceric acid a potential biomarker for the consumption of these food products. 3-phospho-d-glyceric acid can be found primarily in saliva. 3-phospho-d-glyceric acid exists in all living species, ranging from bacteria to humans. (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate, also known as 3-phospho-(R)-glycerate or D-glycerate 3-phosphate, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group (2R)-2-Hydroxy-3-(phosphonatooxy)propanoate is a drug (2R)-2-hydroxy-3-(phosphonatooxy)propanoate has been detected, but not quantified, in several different foods, such as poppies, small-leaf lindens, lupines, pomegranates, and kombus. These are compounds containing a saccharide unit which bears a carboxylic acid group.

   

2-Phospho-D-glyceric acid

(2R)-3-Hydroxy-2-(phosphonooxy)propanoic acid

C3H7O7P (185.9929402)


2-Phosphoglyceric acid (2PG), or 2-phosphoglycerate, is a glyceric acid which serves as the substrate in the ninth step of glycolysis. It is catalyzed by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate.; 2-Phosphoglyceric acid (2PGA) is a glyceric acid which serves as the substrate in the ninth step of glycolysis. It is catalyzed by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate. Enolase catalyzes the beta-elimination reaction in a stepwise manner wherein OH- is eliminated from C3 of a discrete carbanion (enolate) intermediate. This intermediate is created by removal of the proton from C2 of 2PGA by a base in the active site. (PMID: 8994873, Wikipedia). 2-Phosphoglycerate is found in rice. 2-Phospho-D-glycerate or 2PG is an intermediate in gluconeogenesis. It is a glyceric acid which serves as the substrate in the ninth step of glycolysis. 2PG is converted by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate. More specifically, 2PG can be generated from Glycerate-3-phosphate via phosphoglycerate mutase or from phosphoenolpyrvate via alpha enolase. KEIO_ID P029

   

4-Sulfobenzaldehyde

4-formylbenzenesulfonic acid

C7H6O4S (185.9986796)


   

2-hydroxyethyl-CoM

2-(2-Hydroxyethylsulfanyl)ethanesulfonic acid

C4H10O4S2 (186.00205)


   

3-phosphoglycerate

3-(Dihydrogen phosphoric acid)glyceric acid

C3H7O7P (185.9929402)


3-Phosphoglyceric acid, also known as 3PG, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. 3PG is the conjugate acid of glycerate 3-phosphate (GP or G3P). It is a solid that is soluble in water. 3-Phosphoglyceric acid exists in all living species, ranging from bacteria to humans. The glycerate is a biochemically significant metabolic intermediate in both glycolysis and the Calvin cycle. This is the first compound formed during the C3 or Calvin cycle. Glycerate 3-phosphate is also a precursor for serine, which, in turn, can create cysteine and glycine through the homocysteine cycle. Within humans, 3-phosphoglyceric acid participates in a number of enzymatic reactions. In particular, 3-phosphoglyceric acid can be biosynthesized from glyceric acid 1,3-biphosphate, which is mediated by the enzyme phosphoglycerate kinase 1. In addition, 3PG can be converted into 2-phospho-D-glyceric acid, which is catalyzed by the enzyme phosphoglycerate mutase 2. 3-phosphoglyceric acid is involved in the Warburg effect (aerobic glycolysis), a metabolic shift that is a hallmark of cancer (PMID: 29362480). 3-phosphoglyceric acid (3PG) is a 3-carbon molecule that is a metabolic intermediate in both glycolysis and the Calvin cycle. This chemical is often termed PGA when referring to the Calvin cycle. In the Calvin cycle, two glycerate 3-phosphate molecules are reduced to form two molecules of glyceraldehyde 3-phosphate (GALP). (wikipedia) [HMDB] KEIO_ID P028

   

2-Phosphoglyceric acid

3-Hydroxy-2-(phosphonooxy)propanoic acid

C3H7O7P (185.9929402)


2-Phosphoglyceric acid (2PGA) is a glyceric acid which serves as the substrate in the ninth step of glycolysis. It is catalyzed by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate. Enolase catalyzes the beta-elimination reaction in a stepwise manner wherein OH- is eliminated from C3 of a discrete carbanion (enolate) intermediate. This intermediate is created by removal of the proton from C2 of 2PGA by a base in the active site. (PMID: 8994873, Wikipedia) [HMDB] 2-Phosphoglyceric acid (2PGA) is a glyceric acid which serves as the substrate in the ninth step of glycolysis. It is catalyzed by enolase into phosphoenolpyruvate (PEP), the penultimate step in the conversion of glucose to pyruvate. Enolase catalyzes the beta-elimination reaction in a stepwise manner wherein OH- is eliminated from C3 of a discrete carbanion (enolate) intermediate. This intermediate is created by removal of the proton from C2 of 2PGA by a base in the active site (PMID: 8994873, Wikipedia). 2-Phosphoglyceric acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=2553-59-5 (retrieved 2024-11-04) (CAS RN: 2553-59-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

   

8-Chloroxanthine

1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)

C5H3ClN4O2 (185.9944528)


8-Chloroxanthine is a derivative of xanthine, found occasionally in human urine. 8-Chloroxanthine originates from the metabolism of methylxanthines (caffeine, theophylline and theobromine. Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152) [HMDB] 8-Chloroxanthine is a derivative of xanthine, found occasionally in human urine. 8-Chloroxanthine originates from the metabolism of methylxanthines (caffeine, theophylline and theobromine. Purine derivatives in urinary calculi could be considered markers of abnormal purine metabolism. The content of a purine derivative in stone depends on its average urinary excretion in the general population, similarity to the chemical structure of uric acid, and content of the latter in stone. This suggests that purines in stones represent a solid solution with uric acid as solvent. It is also plausible that methylxanthines, ubiquitous components of the diet and drugs, are involved in the pathogenesis of urolithiasis. Caffeine is metabolized via successive pathways mainly catalyzed by CYP1A2, xanthine oxidase or N-acetyltransferase-2 to give 14 different metabolites. CYP1A2 activity shows an inter-individual variability among the population. CYP1A2, an isoform of the CYP1A cytochrome P450 super-family, is involved in the metabolism of many drugs and plays a potentially important role in the induction of chemical carcinogenesis. (PMID: 11712316, 15833286, 3506820, 15013152).

   

Diethyldithiophosphate

O,O-Diethyl dithiophosphate, potassium salt

C4H11O2PS2 (185.9938076)


Diethyldithiophosphate, also known as O,O-diethyl dithiophosphate, potassium salt, is classified as a member of the phosphorodithioic acid O,O-diesters. Phosphorodithioic acid O,O-diesters are organooxygen compounds that contain a phosphorodithioic acid, which is O,O-disubstituted by an organyl group. Diethyl dithiophosphate is considered to be practically insoluble (in water) and acidic. Diethyldithiophosphate is the processor for production of the organophosphate insecticide Terbufos. (ChemoSummarizer)

   

1-Fluoro-2,4-dinitrobenzene

2,4-Dinitrobenzene fluoride

C6H3FN2O4 (186.007685)


   

1-Fluoro-2,3-dinitrobenzene

1-Fluoro-2,3-dinitrobenzene

C6H3FN2O4 (186.007685)


   

5-(Methoxycarbonyl)thiophene-2-carboxylic acid

5-(METHOXYCARBONYL)THIOPHENE-2-CARBOXYLIC ACID

C7H6O4S (185.9986796)


   

Hexafluorobenzene

1,2,3,4,5,6-Hexafluorobenzene

C6F6 (185.9904192)


   

3-phosphoglycerate

3-Phosphoglyceric acid

C3H7O7P (185.9929402)


A monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle.

   
   

D-(-)-3-Phosphoglyceric acid

D-(-)-3-Phosphoglyceric acid

C3H7O7P (185.9929402)


   

3-Phosphoglyceric acid

3-Phospho-D-glyceric acid

C3H7O7P (185.9929402)


The D-enantiomer of 3-phosphoglyceric acid

   

2-formylbenzenesulfonate

2-Formylbenzenesulfonic acid

C7H6O4S (185.9986796)


CONFIDENCE standard compound; INTERNAL_ID 766; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2226; ORIGINAL_PRECURSOR_SCAN_NO 2225 CONFIDENCE standard compound; INTERNAL_ID 766; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2215; ORIGINAL_PRECURSOR_SCAN_NO 2214 CONFIDENCE standard compound; INTERNAL_ID 766; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2174; ORIGINAL_PRECURSOR_SCAN_NO 2173 CONFIDENCE standard compound; INTERNAL_ID 766; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2219; ORIGINAL_PRECURSOR_SCAN_NO 2218 CONFIDENCE standard compound; INTERNAL_ID 766; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2175; ORIGINAL_PRECURSOR_SCAN_NO 2174 CONFIDENCE standard compound; INTERNAL_ID 766; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2187; ORIGINAL_PRECURSOR_SCAN_NO 2186

   

2-phosphoglycerate

2-phosphoglycerate

C3H7O7P (185.9929402)


   

2-phosphoglyceric acid

2-phosphoglyceric acid

C3H7O7P (185.9929402)


A monophosphoglyceric acid having the phospho group at the 2-position.

   

8-Chloroxanthine

1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)

C5H3ClN4O2 (185.9944528)


   

2H-Benzimidazole-2-thione,5,6-difluoro-1,3-dihydro-(9CI)

2H-Benzimidazole-2-thione,5,6-difluoro-1,3-dihydro-(9CI)

C7H4F2N2S (186.0063248)


   

3-chlorophenylthiourea

3-chlorophenylthiourea

C7H7ClN2S (186.0018452)


   

Benzoic acid, 3-sulfino-

Benzoic acid, 3-sulfino-

C7H6O4S (185.9986796)


   

3-(3,4-DICHLOROPHENYL)-1-PROPENE

3-(3,4-DICHLOROPHENYL)-1-PROPENE

C9H8Cl2 (186.0003028)


   

2-amino-4,6-difluorobenzothiazole

2-amino-4,6-difluorobenzothiazole

C7H4F2N2S (186.0063248)


   

2-Aminobenzothiazole Hydrochloride

2-Aminobenzothiazole Hydrochloride

C7H7ClN2S (186.0018452)


   

(2,2-dichlorocyclopropyl)benzene

(2,2-dichlorocyclopropyl)benzene

C9H8Cl2 (186.0003028)


   

4-(2-ETHOXYETHOXY)ANILINE

4-(2-ETHOXYETHOXY)ANILINE

C9H8Cl2 (186.0003028)


   

5-methylthiophene-2,3-dicarboxylic acid

5-methylthiophene-2,3-dicarboxylic acid

C7H6O4S (185.9986796)


   

4-chloro-5,7-dihydro-2-methylthieno[3,4-d]pyrimidine

4-chloro-5,7-dihydro-2-methylthieno[3,4-d]pyrimidine

C7H7ClN2S (186.0018452)


   

2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid

2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid

C7H6O4S (185.9986796)


   

1-Chloro-6,7-dihydrobenzo[c]thiophen-4(5H)-one

1-Chloro-6,7-dihydrobenzo[c]thiophen-4(5H)-one

C8H7ClOS (185.9906122)


   

3-Thienylmalonic acid

3-Thienylmalonic acid

C7H6O4S (185.9986796)


   

2-AMino-4,7-difluorobenzothiazole

2-AMino-4,7-difluorobenzothiazole

C7H4F2N2S (186.0063248)


   

1,2,2,2-TETRAFLUOROETHYL TRIFLUOROMETHYL ETHER

1,2,2,2-TETRAFLUOROETHYL TRIFLUOROMETHYL ETHER

C3HF7O (185.991562)


   
   

Perfluorobenzene

Hexafluorobenzene

C6F6 (185.9904192)


   

S-METHYL 4,4,4-TRIFLUORO-3-OXOTHIO-BUTYR ATE,

S-METHYL 4,4,4-TRIFLUORO-3-OXOTHIO-BUTYR ATE,

C5H5F3O2S (185.9962346)


   

3,4-Dinitrofluorobenzene

3,4-Dinitrofluorobenzene

C6H3FN2O4 (186.007685)


   

1-(2-Chlorophenyl)-2-thiourea

1-(2-Chlorophenyl)-2-thiourea

C7H7ClN2S (186.0018452)


   

4-methylsulfanylbenzoyl chloride

4-methylsulfanylbenzoyl chloride

C8H7ClOS (185.9906122)


   

5-AMINO-1,3-BENZOTHIAZOLE HCL

5-AMINO-1,3-BENZOTHIAZOLE HCL

C7H7ClN2S (186.0018452)


   

4-CHLOROPHENYLTHIOUREA

4-CHLOROPHENYLTHIOUREA

C7H7ClN2S (186.0018452)


   

1-(4-CHLOROPHENYL)-2-MERCAPTOETHANONE

1-(4-CHLOROPHENYL)-2-MERCAPTOETHANONE

C8H7ClOS (185.9906122)


   

2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-2-CARBOXYLIC ACID

2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-2-CARBOXYLIC ACID

C7H6O4S (185.9986796)


   

METHYL 4-CHLORO-4,4-DIFLUOROACETOACETATE

METHYL 4-CHLORO-4,4-DIFLUOROACETOACETATE

C5H5ClF2O3 (185.98952740000001)


   

(phenylthio)acetyl chloride

(phenylthio)acetyl chloride

C8H7ClOS (185.9906122)


   

3-(3,5-DICHLOROPHENYL)-1-PROPENE

3-(3,5-DICHLOROPHENYL)-1-PROPENE

C9H8Cl2 (186.0003028)


   

2,5-Difluoro-4-thiocyanatoaniline

2,5-Difluoro-4-thiocyanatoaniline

C7H4F2N2S (186.0063248)


   

5,7-DIFLUOROBENZO[D]THIAZOL-2-AMINE

5,7-DIFLUOROBENZO[D]THIAZOL-2-AMINE

C7H4F2N2S (186.0063248)


   

N,N-(1,4-PHENYLENE)BIS(ACETOACETAMIDE)

N,N-(1,4-PHENYLENE)BIS(ACETOACETAMIDE)

C8H7ClOS (185.9906122)


   

2-amino-5,6-difluorobenzothiazole

2-amino-5,6-difluorobenzothiazole

C7H4F2N2S (186.0063248)


   

p-tolyl chlorothionoformate

p-tolyl chlorothionoformate

C8H7ClOS (185.9906122)


   

Propane,1,1-thiobis[3-chloro- (9CI)

Propane,1,1-thiobis[3-chloro- (9CI)

C6H12Cl2S (186.0036732)


   

POTASSIUM TRIFLUORO(PYRIMIDIN-2-YL)BORATE

POTASSIUM TRIFLUORO(PYRIMIDIN-2-YL)BORATE

C4H3BF3KN2 (185.9978444)


   

2-Bromo-1-ethylpyridin-1-ium

2-Bromo-1-ethylpyridin-1-ium

C7H9BrN+ (185.9918314)


   

1-Propanol, 1,1,2,2,3,3,3-heptafluoro-

1-Propanol, 1,1,2,2,3,3,3-heptafluoro-

C3HF7O (185.991562)


   
   
   

Dithiophosphoric acid diethyl ester

Dithiophosphoric acid diethyl ester

C4H11O2PS2 (185.9938076)


   

2-Phospho-D-glyceric acid

2-Phospho-D-glyceric acid

C3H7O7P (185.9929402)


A 2-phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration.

   

4-formylbenzenesulfonic acid

4-formylbenzenesulfonic acid

C7H6O4S (185.9986796)


   

1-Fluoro-2,4-dinitrobenzene

1-Fluoro-2,4-dinitrobenzene

C6H3FN2O4 (186.007685)


   

Diethyl dithiophosphoric acid

Diethyl dithiophosphoric acid

C4H11O2PS2 (185.9938076)


   

Phosphoglyceric acid

Phosphoglyceric acid

C3H7O7P (185.9929402)