Exact Mass: 185.966534
Exact Mass Matches: 185.966534
Found 349 metabolites which its exact mass value is equals to given mass value 185.966534,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Glycerate 3-phosphate
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.
4-Chlorophenoxyacetic acid
CONFIDENCE standard compound; INTERNAL_ID 1191; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3757; ORIGINAL_PRECURSOR_SCAN_NO 3752 CONFIDENCE standard compound; INTERNAL_ID 1191; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3829; ORIGINAL_PRECURSOR_SCAN_NO 3825 CONFIDENCE standard compound; INTERNAL_ID 1191; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4159; ORIGINAL_PRECURSOR_SCAN_NO 4154 CONFIDENCE standard compound; INTERNAL_ID 1191; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3737; ORIGINAL_PRECURSOR_SCAN_NO 3736 CONFIDENCE standard compound; INTERNAL_ID 1191; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4074; ORIGINAL_PRECURSOR_SCAN_NO 4072 CONFIDENCE standard compound; INTERNAL_ID 1191; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4080; ORIGINAL_PRECURSOR_SCAN_NO 4076 KEIO_ID C151
2-Phospho-D-glyceric acid
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-carboxy-2-hydroxymuconate semialdehyde hemiacetal
4-Bromo-3,5-cyclohexadiene-1,2-dione
4-Bromo-3,5-cyclohexadiene-1,2-dione, also known as 4-bromo-1,2-Benzoquinone, is classified as a member of the O-benzoquinones. O-benzoquinones are benzoquinones where the two C=O groups are attached at the 1- and 2-positions, respectively. 4-Bromo-3,5-cyclohexadiene-1,2-dione is considered to be slightly soluble (in water) and basic
3-phosphoglycerate
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
3-Fumarylpyruvate
This compound belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain
2-Phosphoglyceric acid
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
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
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)
3-Chloro-4-hydroxy-5-methoxybenzaldehyde
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants
Iodoacetic acid
D009676 - Noxae > D000477 - Alkylating Agents > D007461 - Iodoacetates D004791 - Enzyme Inhibitors
3-phosphoglycerate
A monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle.
6-hydroxy-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid
C6H6N2O3S (186.00991259999998)
2-chloro-5-methoxy-3-methylcyclohexa-2,5-diene-1,4-dione
2-formylbenzenesulfonate
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-phosphoglyceric acid
A monophosphoglyceric acid having the phospho group at the 2-position.
Iodoacetic acid
D009676 - Noxae > D000477 - Alkylating Agents > D007461 - Iodoacetates D004791 - Enzyme Inhibitors
2H-Benzimidazole-2-thione,5,6-difluoro-1,3-dihydro-(9CI)
6-chloroimidazo[2,1-b]thiazole-5-carboxaldehyde
C6H3ClN2OS (185.96546179999999)
5-(Chloromethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
4-Pyrimidinecarboxylicacid, 1,6-dihydro-2-(methylthio)-6-oxo-
C6H6N2O3S (186.00991259999998)
Butanedioic acid,2,3-dichloro-, (2R,3S)-rel- (9CI)
Cyclopropanecarbonyl chloride, 2,2-dichloro-1-methyl- (9CI)
2-Methanesulfonyl-pyrimidine-4-carbaldehyde
C6H6N2O3S (186.00991259999998)
4,6-Dihydrothieno[3,4-b]thiophene-2-carboxylic Acid
(Bromomethyl)(chloro)dimethylsilane
C3H8BrClSi (185.92671380000002)
ETHYL 4-FORMYL-1,2,3-THIADIAZOLE-5-CARBOXYLATE
C6H6N2O3S (186.00991259999998)
4-chloro-5,7-dihydro-2-methylthieno[3,4-d]pyrimidine
2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid
C6H6N2O3S (186.00991259999998)
2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile
C6H3ClN2OS (185.96546179999999)
6-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
C6H3ClN2OS (185.96546179999999)
5-chloro-1H-[1,3]thiazolo[5,4-b]pyridin-2-one
C6H3ClN2OS (185.96546179999999)
lithium 2-thienylcyanocuprate 0.25m
C5H3CuLi2NS (185.96022879999998)
2-Acetamido-1,3-thiazole-4-carboxylic acid
C6H6N2O3S (186.00991259999998)
2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-2-CARBOXYLIC ACID
METHYL 4-CHLORO-4,4-DIFLUOROACETOACETATE
C5H5ClF2O3 (185.98952740000001)
(2-Formamido-1,3-thiazol-4-yl)acetic acid
C6H6N2O3S (186.00991259999998)
4-CHLORO-5-FORMYL-6-THIOMETHYLPYRIMIDINE
C6H3ClN2OS (185.96546179999999)
trans-4,5-Dichloro-4,5-diMethyl-1,3-dioxolan-2-one
2-acetamidothiazole-5-carboxylic acid
C6H6N2O3S (186.00991259999998)
5-(CHLOROMETHYL)-2-(TRIFLUOROMETHYL)-1,3,4-OXADIAZOLE
3-chloro-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione
(R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid
(E,2Z)-2-(hydroxymethylidene)-5-oxohex-3-enedioic acid
(E)-2-hydroxy-3-[(E)-3-oxoprop-1-enyl]but-2-enedioic acid
(E,2E)-2-(hydroxymethylidene)-5-oxohex-3-enedioic acid
2-(Carboxymethyl)-5-hydroxyfuran-3-carboxylic acid
2-Phospho-D-glyceric acid
A 2-phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration.
4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde
(3-chloro-4-hydroxyphenyl)acetic acid
A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine.
(2E)-3-(methoxycarbonyl)pent-2-enedioate(2-)
Dianion of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid arising from deprotonation of both carboxylic acid functions.