Exact Mass: 187.9949054
Exact Mass Matches: 187.9949054
Found 500 metabolites which its exact mass value is equals to given mass value 187.9949054,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(Z)-But-1-ene-1,2,4-tricarboxylate
This compound belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).
cis-2-Methylaconitate
cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742) [HMDB]. cis-2-Methylaconitate is found in many foods, some of which are new zealand spinach, cauliflower, rocket salad, and pepper (c. chinense). cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742). cis-2-Methylaconitate has been found to be a microbial metabolite (ECMDB).
2,3-Dimercapto-1-propanesulfonic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents D020011 - Protective Agents > D000931 - Antidotes
WE 7:3;O4
The 2-(methoxycarbonyl) derivative of (Z)-glutaconic acid.
2-Chloro-5-methyl-cis-dienelactone
This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
3-Chloro-2-methyldienelactone
This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
p-Cresol sulfate
p-Cresol sulfate is a microbial metabolite that is found in urine and likely derives from secondary metabolism of p-cresol. It appears to be elevated in the urine of individuals with progressive multiple sclerosis (PMID:10775436). p-Cresol sulfate is the major component of urinary MBPLM (myelin basic protein-like material). p-Cresol sulfate is a small protein-bound molecule that is poorly cleared with dialysis. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821). Uremic toxins include other low-molecular-weight compounds such as indoxyl sulfate, 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid, and asymmetric dimethylarginine (PMID:18941347). It has also been linked to cardiovascular disease and oxidative injury. Higher levels are associated with overgrowth of intestinal bacteria from Clostridia species, including C. difficile. p-Cresol is generated by the partial breakdown of tyrosine and phenylalanine by a wide range of intestinal obligate or facultative anaerobes, including the genera Bacteroides, Lactobacillus, Enterobacter, Bifidobacterium, and especially Clostridium (PMID:2394806). p-Cresol sulfate is a microbial metabolite that is found in urine and likely derives from secondary metabolism of p-cresol. It appears to be elevated in the urine of individuals with progressive multiple sclerosis (PMID: 10775436). p-Cresol sulfate is the major component of urinary MBPLM (myelin basic protein-like material). p-Cresol sulfate is a small protein-bound molecule that is poorly cleared with dialysis and is often considered to be a uremic toxin. Uremic toxins include low-molecular-weight compounds such as indoxyl sulfate, p-cresol sulfate, 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid and asymmetric dimethylarginine (PMID: 18941347). It has been linked to cardiovascular disease and oxidative injury. [HMDB] p-Cresol sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3233-58-7 (retrieved 2024-07-01) (CAS RN: 3233-58-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
Perflutren
Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, is comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. When exposed to ultrasound waves, the microspheres resonate and echo strong signals back to the ultrasound machine. The difference in density between the gas-filled bubbles and the blood around them creates an increased level of contrast visible in the resulting ultrasound image. During echocardiography, activated Perflutren enhances images of the inner edges or borders of the heart, producing an improved image that may enable physicians to better diagnose patients. Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood. Albumin is found in brazil nut, common wheat, and ginger.
Furfuryl propyl disulfide
Furfuryl propyl disulfide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Benzyl sulfate
Benzyl sulfate is a constituent of various plant species. Flavour component
2-Methyl-3-(propyldithio)furan
Meat flavouring ingredient. Meat flavouring ingredient
o-Cresol sulfate
o-Cresol sulfate, also known as o-tolyl sulfate or 2-methylphenyl hydrogen sulfate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. o-Cresol sulfate is a uremic toxin (PMID: 30087103).
Calcium tartrate
Calcium tartrate is also known as mn(iii) tartrate or tartaric acid, calcium salt, (r-r*,r*)-isomer. Calcium tartrate is soluble (in water) and a moderately acidic compound (based on its pKa). Calcium tartrate can be found in tamarind, which makes calcium tartrate a potential biomarker for the consumption of this food product. Calcium tartrate is a byproduct of the wine industry, prepared from wine fermentation dregs. It is the calcium salt of tartaric acid, an acid most commonly found in grapes. Its solubility decreases with lower temperature, which results in the forming of whitish (in red wine often reddish) crystalline clusters as it precipitates. It finds use as a food preservative and acidity regulator. Like tartaric acid, calcium tartrate has two asymmetric carbons, hence it has two chiral isomers and a non-chiral isomer (meso-form). Most calcium tartrate of biological origin is the chiral levorotatory (‚Äì) isomer . Calcium tartrate is also known as mn(iii) tartrate or tartaric acid, calcium salt, (r-r*,r*)-isomer. Calcium tartrate is soluble (in water) and a moderately acidic compound (based on its pKa). Calcium tartrate can be found in tamarind, which makes calcium tartrate a potential biomarker for the consumption of this food product. Calcium tartrate is a byproduct of the wine industry, prepared from wine fermentation dregs. It is the calcium salt of tartaric acid, an acid most commonly found in grapes. Its solubility decreases with lower temperature, which results in the forming of whitish (in red wine often reddish) crystalline clusters as it precipitates. It finds use as a food preservative and acidity regulator. Like tartaric acid, calcium tartrate has two asymmetric carbons, hence it has two chiral isomers and a non-chiral isomer (meso-form). Most calcium tartrate of biological origin is the chiral levorotatory (–) isomer .
Potassium bitartrate
Obtained from sediment in wine manuf. It is used in food processing as a nutrient, pH control agent and leavening agent. Potassium bitartrate can be used with white vinegar to make a paste-like cleaning agent. It is a vital ingredient in Play-Doh and gingerbread house icing. This mixture is sometimes mistakenly made with vinegar and sodium bicarbonate (baking soda), which actually react to neutralise each other, creating carbon dioxide and a sodium acetate solution.; Potassium bitartrate, also known as potassium hydrogen tartrate, has formula KC4H5O6. It is a byproduct of winemaking. In cooking it is known as cream of tartar. It is the potassium acid salt of tartaric acid, a carboxylic acid. Potassium bitartrate is found in common grape. obtained from sediment in wine manuf. It is used in food processing as a nutrient, pH control agent and leavening agent
p-Cresol sulfate
p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
2,4-Diaminobenzenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 2788 CONFIDENCE standard compound; INTERNAL_ID 8657 CONFIDENCE standard compound; INTERNAL_ID 8097
Gallicum acidum
See also: Gallic Acid (has active moiety) ... View More ... Gallic acid (3,4,5-Trihydroxybenzoic acid) hydrate is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid hydrate has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) hydrate is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid hydrate has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].
Triglochinic acid
Triglochinic acid is a monomeric compound isolated from tubers of Pinellia pedatisecta Schott[1].
p-Cresol sulfate
An aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group. p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
p-Cresylsulphate
p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
3-(chloromethyl)-5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazole(SALTDATA: FREE)
C7H9ClN2O2 (188.03525240000002)
5-chloro-6-fluorobenzo-2,1,3-thiadiazole
C6H2ClFN2S (187.96112540000001)
3-chloro-2-hydrazino-5-nitropyridine
C5H5ClN4O2 (188.01010200000002)
3-Fluoro-4-methoxybenzoyl chloride
C8H6ClFO2 (188.00403380000003)
BENZOIC ACID, 5-CHLORO-2-MERCAPTO-
C7H5ClO2S (187.96987800000002)
2-AMINO-2-(PYRIDIN-4-YL)ACETIC ACID HYDROCHLORIDE
C7H9ClN2O2 (188.03525240000002)
methyl 5-(chloromethyl)-2-methylfuran-3-carboxylate
6-chloro-2-fluoro-3-methylbenzoic acid
C8H6ClFO2 (188.00403380000003)
2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)PROPANOIC ACID
C7H9ClN2O2 (188.03525240000002)
4-Chloro-2-Fluoro-5-Methoxy Benzaldehyde
C8H6ClFO2 (188.00403380000003)
2-chloro-N-methyl-5-nitropyrimidin-4-amine
C5H5ClN4O2 (188.01010200000002)
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
2-CHLORO-4-FLUORO-1-ISOPROPOXYBENZENE
C9H10ClFO (188.04041719999998)
3-(2-CHLORO-6-FLUORO-PHENYL)-PROPAN-1-OL
C9H10ClFO (188.04041719999998)
3,5-diamino-6-chloropyrazine-2-carboxylic acid
C5H5ClN4O2 (188.01010200000002)
5-chloro-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
C7H9ClN2O2 (188.03525240000002)
1-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)ethanone
ETHYL 5-(CHLOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
C7H9ClN2O2 (188.03525240000002)
1-(3-Chloropropoxy)-4-fluorobenzene
C9H10ClFO (188.04041719999998)
3-(4-chloropyrazol-1-yl)-2-methylpropanoic acid
C7H9ClN2O2 (188.03525240000002)
2-chloro-6-fluoro-3-methylbenzoic acid
C8H6ClFO2 (188.00403380000003)
6-CHLORO-N-METHYL-5-NITRO-4-PYRIMIDINAMINE
C5H5ClN4O2 (188.01010200000002)
3-Chloro-5-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
2-chloro-3-(fluoromethyl)benzoic acid
C8H6ClFO2 (188.00403380000003)
3-Chloro-4-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE
C7H3F3N2O (188.01974639999997)
2-hydroxy-5-trifluoromethyl-nicotinonitrile
C7H3F3N2O (188.01974639999997)
6-bromo-2-methyl-3(2H)-pyridazinone(SALTDATA: FREE)
2-Amino-2-(pyridin-2-yl)acetic acid HCl
C7H9ClN2O2 (188.03525240000002)
3-Cyano-6-(trifluoromethyl)pyrid-2-one
C7H3F3N2O (188.01974639999997)
1-(2-Nitrophenyl)methanamine hydrochloride (1:1)
C7H9ClN2O2 (188.03525240000002)
hydroxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
2-chloro-4-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
6-chloro-2-methyl-5-nitropyrimidin-4-amine
C5H5ClN4O2 (188.01010200000002)
4-Fluoro-3-methylphenyl carbonochloridate
C8H6ClFO2 (188.00403380000003)
3-(2-CHLORO-4-FLUORO-PHENYL)-PROPAN-1-OL
C9H10ClFO (188.04041719999998)
2-Isocyanato-5-(trifluoromethyl)pyridine
C7H3F3N2O (188.01974639999997)
2-Chloromethyl-4,6-dimethoxypyrimidine
C7H9ClN2O2 (188.03525240000002)
3-chloro-5-fluoro-4-methoxybenzaldehyde
C8H6ClFO2 (188.00403380000003)
2-TRIFLUOROMETHYL-OXAZOLO[4,5-B]PYRIDINE
C7H3F3N2O (188.01974639999997)
2-Chloro-5-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
3-Quinolinecarbonitrile, 7-fluoro-1,4-dihydro-4-oxo-
ETHYL 3-CHLOROMETHYL-1H-PYRAZOLE-4-CARB&
C7H9ClN2O2 (188.03525240000002)
3-Fluoro-2-methoxybenzoyl chloride
C8H6ClFO2 (188.00403380000003)
6-chloro-2-fluoro-3-methoxybenzaldehyde
C8H6ClFO2 (188.00403380000003)
(4-CHLORO-3,5-DIMETHYL-PYRAZOL-1-YL)-ACETIC ACID
C7H9ClN2O2 (188.03525240000002)
4-Pyrimidinamine,2-chloro-6-methyl-5-nitro-
C5H5ClN4O2 (188.01010200000002)
4-Chloro-2-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
4-Chloro-3-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
4-Thiazolecarboxylicacid,2-(acetylamino)-4,5-dihydro-(9CI)
1-(4-Chloro-2-fluoro-6-hydroxyphenyl)ethanone
C8H6ClFO2 (188.00403380000003)
5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester
5-(2-methoxyethoxy)-3-chloropyridazine
C7H9ClN2O2 (188.03525240000002)
2-Carbamoyl-3-hydroxy-1-methylpyridinium chloride
C7H9ClN2O2 (188.03525240000002)
BENZENECARBOXIMIDAMIDE,2-CHLORO-4-FLUORO-N-HYDROXY-
BENZOIC ACID, 2-CHLORO-6-MERCAPTO-
C7H5ClO2S (187.96987800000002)
5-Thiazolecarboxylicacid, 2-amino-4-hydroxy-, ethyl ester
N-(2-aminoethyl)-N-methylmethanesulfonamide(SALTDATA: HCl)
4-Hydrazinobenzoic acid hydrochloride
C7H9ClN2O2 (188.03525240000002)
3-(5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
5-Chloro-2-fluoro-4-methylbenzoic acid
C8H6ClFO2 (188.00403380000003)
2-Hydrazinobenzoic acid hydrochloride
C7H9ClN2O2 (188.03525240000002)
2-(2-chloro-3-fluorophenyl)acetic acid
C8H6ClFO2 (188.00403380000003)
2-chloro-5-(2-methoxyethoxy)pyrimidine
C7H9ClN2O2 (188.03525240000002)
1-(4-Nitrophenyl)methanamine hydrochloride (1:1)
C7H9ClN2O2 (188.03525240000002)
4-CHLORO-2-FLUORO-3-METHYL-BENZOIC
C8H6ClFO2 (188.00403380000003)
2-fluoro-3-methoxybenzoyl chloride
C8H6ClFO2 (188.00403380000003)
7H-Pyrrolo[2,3-g]benzothiazol-7-one,6,8-dihydro-(9CI)
(5-ETHYL-[1,3,4]OXADIAZOL-2-YLSULFANYL)-ACETIC ACID
2-Fluoro-4-methoxybenzoyl chloride
C8H6ClFO2 (188.00403380000003)
2-amino-4-(trifluoromethyl)pyrimidine-5-carbonitrile
1,4-Dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine
2-Chloro-6-fluorophenylacetic acid
C8H6ClFO2 (188.00403380000003)
1,2-Diamino-4,5-methylenedioxybenzene,dihydrochloride
C7H9ClN2O2 (188.03525240000002)
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
C7H9ClN2O2 (188.03525240000002)
2-(3-Chloro-2-fluorophenyl)acetic acid
C8H6ClFO2 (188.00403380000003)
2-(5-chloro-2-fluorophenyl)acetic acid
C8H6ClFO2 (188.00403380000003)
3-Hydrazinobenzoic Acid Hydrochloride
C7H9ClN2O2 (188.03525240000002)
2-Amino-2-(3-pyridyl)acetic Acid Hydrochloride
C7H9ClN2O2 (188.03525240000002)
Potassium acid tartrate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12B - Potassium > A12BA - Potassium
(2E)-2-(3-chloro-4-methyl-5-oxofuran-2-ylidene)acetic acid
(2Z)-2-chloro-2-(4-methyl-5-oxofuran-2-ylidene)acetic acid
(2E)-2-(4-chloro-3-methyl-5-oxofuran-2-ylidene)acetic acid
cis-2-Methylaconitate
A tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions.
DMPS
D064449 - Sequestering Agents > D002614 - Chelating Agents D020011 - Protective Agents > D000931 - Antidotes
citrate(4-)
A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid.
gamma-carboxy-L-glutamate(3-)
An L-alpha amino acid anion obtained by the deprotonation of the three carboxy groups of gamma-carboxy-L-glutamic acid.
Potassium bitartrate
An organic potassium salt of L-tartaric acid. It is a by-product of winemaking and occurs naturally in grapes, the major fruit used to produce wine.