Exact Mass: 194.0215226
Exact Mass Matches: 194.0215226
Found 500 metabolites which its exact mass value is equals to given mass value 194.0215226,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
D-Glucuronate
Glucuronic acid (CAS: 6556-12-3) is a carboxylic acid that has the structure of a glucose molecule that has had its sixth carbon atom (of six total) oxidized. The salts of glucuronic acid are known as glucuronates. Glucuronic acid is highly soluble in water. In humans, glucuronic acid is often linked to toxic or poisonous substances to allow for subsequent elimination, and to hormones to allow for easier transport. These linkages involve O-glycosidic bonds. The process is known as glucuronidation, and the resulting substances are known as glucuronides (or glucuronosides). Glucuronidation uses UDP-glucuronic acid (glucuronic acid linked via a glycosidic bond to uridine diphosphate) as an intermediate. UDP-glucuronic acid is formed in the liver of all animals. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].
2-Keto-L-gluconate
2-Keto-L-gluconate is a derivative of gluconic acid, which occurs naturally in fruit, honey and wine and is used as a food additive, an acidity regulator. It is also used in cleaning products where it helps cleaning up mineral deposits. It is a strong chelating agent, especially in alkaline solution. It chelates the anions of calcium, iron, aluminium, copper, and other heavy metals. [HMDB] 2-Keto-L-gluconate is a derivative of gluconic acid, which occurs naturally in fruit, honey and wine and is used as a food additive, an acidity regulator. It is also used in cleaning products where it helps cleaning up mineral deposits. It is a strong chelating agent, especially in alkaline solution. It chelates the anions of calcium, iron, aluminium, copper, and other heavy metals.
5-Keto-D-gluconate
5-Keto-D-gluconate is metabolized from glucose in certain bacterial species. It is an intermediate in L-idonate degradation and ketogluconate metabolism. 5-Keto-D-gluconate 5-reductase catalyzes the reversible reduction of 5-ketogluconate to D-gluconate. This is the second reaction of the L-idonate catabolic pathway after uptake of L-idonate into the cell. The enzyme specifically reduces 5-ketogluconate using either NADH or NADPH. The enzyme is also specific for D-gluconate oxidation using NADP as the coenzyme, NAD does not serve as a coenzyme. 5-Keto-D-gluconate has also been found to be a metabolite of Gluconobacter (https://www.sciencedirect.com/science/article/pii/S138111779800112X). 5-Keto-D-gluconate is metabolized from glucose in certain bacterial species. It is an intermediate in L-idonate degradation and ketogluconate metabolism. 5-Keto-D-gluconate 5-reductase catalyzes the reversible reduction of 5-ketogluconate to D-gluconate. This is the second reaction of the L-idonate catabolic pathway after uptake of L-idonate into the cell. The enzyme specifically reduces 5-ketogluconate using either NADH or NADPH. The enzyme is also specific for D-gluconate oxidation using NADP as the coenzyme, NAD does not serve as a coenzyme. [HMDB]
Galacturonic acid
D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].
3-Dehydro-L-gulonate
3-Dehydro-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 3-Dehydro-L-gulonate is the 4th to last step in the synthesis of D-Xylulose 5-phosphate and is converted from 2,3-Diketo-L-gulonate via the enzyme 3-dehydro-L-gulonate 2-dehydrogenase (EC 1.1.1.130). It is then converted to 3-Dehydro-L-gulonate 6-phosphate via the enzyme L-xylulokinase (EC 2.7.1.53). [HMDB] 3-Dehydro-L-gulonate is an intermediate in Ascorbate and aldarate metabolism. 3-Dehydro-L-gulonate is the 4th to last step in the synthesis of D-Xylulose 5-phosphate and is converted from 2,3-Diketo-L-gulonate via the enzyme 3-dehydro-L-gulonate 2-dehydrogenase (EC 1.1.1.130). It is then converted to 3-Dehydro-L-gulonate 6-phosphate via the enzyme L-xylulokinase (EC 2.7.1.53).
Galacturonic acid
Galacturonic acid, also known as D-galacturonate or (2s,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoate, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Galacturonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Galacturonic acid can be found in a number of food items such as sunflower, white mustard, okra, and date, which makes galacturonic acid a potential biomarker for the consumption of these food products. Galacturonic acid can be found primarily in feces. Galacturonic acid exists in all living species, ranging from bacteria to humans. D-Galacturonic acid is a sugar acid, an oxidized form of D-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. In its open form, it has an aldehyde group at C1 and a carboxylic acid group at C6. Other oxidized forms of D-galactose are D-galactonic acid (carboxylic group at C1) and meso-galactaric acid (mucic acid) (carboxylic groups at C1 and C6). It is also a uronic acid or hexuronic acid. Naturally occurring uronic acids are D-glucuronic acid, D-galacturonic acid, L-iduronic acid and D-mannuronic acid . Galactopyranuronic acid is the pyranose form of D-galacturonic acid. It is a conjugate acid of a D-galactopyranuronate. Galacturonic acid is a sugar acid, an oxidized form of d-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. In its open form, it has an aldehyde group at C1 and a carboxylic acid group at C6. Other oxidized forms of d-galactose are d-galactonic acid (carboxylic group at C1) and meso-galactaric acid (mucic acid) (carboxylic groups at C1 and C6). It is also a uronic acid or hexuronic acid. Naturally occurring uronic acids are d-glucuronic acid, d-galacturonic acid, l-iduronic acid and d-mannuronic acid. Galacturonic acid, also known as D-galacturonate or sodium pectate, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Galacturonic acid exists in all living species, ranging from bacteria to humans. Galacturonic acid has been found in flaxseeds. Galacturonic acid has also been detected, but not quantified in several different foods, such as common grapes, cocoa beans, roselles, cow milk, and figs. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Iduronic acid
Iduronic acid is a constituent of glycosaminoglycans heparin and heparan sulfate in varying proportions providing considerable diversity in sequence and biological function. The glycosaminoglycans (GAGs) are linear polysaccharides with alternating uronic acids (Iduronic acid and Glucuronic acid) and hexosamine residues, in which a limited set of monosaccharide units gives rise to a number of complex sequences by variable substitution with O-sulfate, N-sulfate, and N-acetyl groups. GAGs usually exist as the O-linked side-chains of proteoglycans, displaying a set of physiological functions which is remarkably wide and as yet incompletely explored. They may act as structural components of connective tissue and the extracellular matrix, or as specific ligands in the relationship between the cell surface and its surroundings. Heparan sulfate exists on the surface of most or all mammalian cells and can display a remarkable range of different sequence motifs; its range of interactions and possible functions reflect its structural complexity. The main repeat unit of heparin structurally resembles the protein binding sequences in heparan sulfate, but contains a higher percentage of sulfated residues. Utilized therapeutically as an anticoagulant and readily available in good quantities heparin serves as a useful model for heparan sulfate. Theoretical and experimental studies indicate that L-Iduronic acid residues of glycosaminoglycans are in equilibrium of different conformations, the relative proportion of conformers being a function of sulfation pattern and sequence. This unique conformational flexibility may provide an explanation for the stronger binding and associated higher biological activities of Iduronic acid-containing glycosaminoglycans (such as heparin, heparan sulfate and dermatan sulfate) as compared with other GAGs having similar charge density but with the more rigid glucuronic acid as the major uronic acid residue. Dermatan sulfates and heparins, which contain L-Iduronic acid in their backbone, show higher low-density lipoprotein (LDL)-affinity than chondroitin sulfates, which contain only D-glucuronic acid. Though confirming a non-specific, predominantly electrostatic interaction between GAGs and LDL, these results indicate modulation of LDL affinity by the polysaccharide backbone. Naturally oversulfated dermatan sulfate (SO3H/COOH ca. 1.2), mainly oversulfated at C-2 of Iduronic acid residues, show comparatively higher anticoagulant activity. (PMID: 3076283, 8466951, 8542607, 11087707). Iduronic acid is a constituent of glycosaminoglycans heparin and heparan sulfate in varying proportions providing considerable diversity in sequence and biological function.
GALACTURONIC ACID
Acquisition and generation of the data is financially supported in part by CREST/JST.
2-oxogluconic acid
A ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 2 has been oxidised to a keto group.
6-METHYLDIOSGENIN
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials A D-galactopyranuronic acid with a beta-configuration at the anomeric center. Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
S-Acetyl dihydroasparagusic acid
S-Acetyl dihydroasparagusic acid is found in asparagus. S-Acetyl dihydroasparagusic acid is a constituent of asparagusAsparagus officinalis Constituent of asparagusAsparagus officinalis. S-Acetyl dihydroasparagusic acid is found in asparagus and green vegetables.
6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione
6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is found in green vegetables. 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is isolated from leaves of spinach Spinacia oleracea. Isolated from leaves of spinach Spinacia oleracea. 6-(Hydroxymethyl)-2,4(1H,3H)-pteridinedione is found in green vegetables and spinach.
(-)-1-(Methylthio)propyl 1-propenyl disulfide
(-)-1-(Methylthio)propyl 1-propenyl disulfide is found in green vegetables. (-)-1-(Methylthio)propyl 1-propenyl disulfide is a constituent of Ferula assa-foetida (asafoetida) Constituent of Ferula assa-foetida (asafoetida). (-)-1-(Methylthio)propyl 1-propenyl disulfide is found in herbs and spices and green vegetables.
Pectic acid
Pectic acid is a water insoluble, transparent gelatinous acid existing in ripe fruit and some vegetables. Pectic acid exists in the cell walls of plant tissues, and these substances are ingested from vegetables, fruits, etc. Pectic substances are dealt with as dietary fibers, but other physiological functions are not clear. Pectic acid is degraded in the digestive tract of man and it is considered that digestion is by the action of intestinal bacteria. Pectic acid is mainly degraded to 4,5-unsaturated digalacturonic acid and perhaps to 4,5-unsaturated trigalacturonic acid, by the action of the enzymes from bacteria such as Bacteroides sp. and Clostridium sp. in the human digestive tract. Then, they are used as carbon sources by these pectic-acid-using bacteria. (PMID: 12111144). Present in cell walls of all plant tissues. Up to 30\\% w/w of this polysaccharide can be isolated from orange and lemon rind. It is used in food processing as a gelling agent, stabiliser, thickener and emusifier [DFC] D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins
Pectin
Pectin, also known as galacturonate or D-lyxose, is a structural acidic heteropolysaccharide contained in the primary and middle lamella and cell walls of terrestrial plants. Its main component is galacturonic acid, a sugar acid derived from galactose. It was first isolated and described in 1825 by Henri Braconnot. It is produced commercially as a white to light brown powder, mainly extracted from citrus fruits, and is used in food as a gelling agent, particularly in jams and jellies. It is also used in dessert fillings, medicines, sweets, as a stabiliser in fruit juices and milk drinks, and as a source of dietary fibre. In plant biology, pectin consists of a complex set of polysaccharides (see below) that are present in most primary cell walls and are particularly abundant in the non-woody parts of terrestrial plants. Pectin is a major component of the middle lamella, where it helps to bind cells together, but is also found in primary cell walls. Pectin is deposited by exocytosis into the cell wall via vesicles produced in the golgi. Pectin is a natural part of the human diet, but does not contribute significantly to nutrition. The daily intake of pectin from fruits and vegetables can be estimated to be around 5g if approximately 500g of fruits and vegetables are consumed per day. Pectin is a heterosaccharide derived from the cell wall of plants. Pectins vary in their chain lengths, complexity and the order of each of the monosaccharide units. The characteristic structure of pectin is a linear chain of alpha(1-4)linked D-galacturonic acid that forms the pectin-backbone, a homogalacturonan. [HMDB] COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Dopachrome o-semiquinone
Dopachrome o-semiquinone is the semiquinone derivative of dopachrome. The non-decarboxylative tautomerization of L-dopachrome into 5,6-dihydroxyindole-2-carboxylic acid in the melanin biosynthetic pathway is catalyzed by tyrosinase-related protein-2, a melanocyte-specific enzyme. dopachrome o-semiquinone is the semiquinone derivative of dopachrome.
Methyl 1-(1-propenylthio)propyl disulfide
Methyl 1-(1-propenylthio)propyl disulfide is found in onion-family vegetables. Methyl 1-(1-propenylthio)propyl disulfide is a constituent of Allium cepa (onion) oil and Allium fistulosum (Welsh onion). Constituent of Allium cepa (onion) oil and Allium fistulosum (Welsh onion). Methyl 1-(1-propenylthio)propyl disulfide is found in garden onion and onion-family vegetables.
L-Altruronic acid
L-Altruronic acid is produced during pectin saponification, by epimerisation of
Bis(2-furanylmethyl) sulfide
C10H10O2S (194.04014800000002)
Bis(2-furanylmethyl) sulfide is found in coffee and coffee products. Bis(2-furanylmethyl) sulfide is present in coffee. Bis(2-furanylmethyl) sulfide is a flavouring ingredient. Present in coffee. Flavouring ingredient. Bis(2-furanylmethyl) sulfide is found in coffee and coffee products.
Aldehydo-L-iduronate
Aldehydo-L-iduronate is also known as aldehydo-L-Iduronic acid. Aldehydo-L-iduronate is considered to be soluble (in water) and acidic
2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one
C8H6N2O2S (194.01499760000002)
(2R,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxyoxane-2-carboxylic acid
Mannuronic acid
Mannuronic acid, also known as mannuronate, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Mannuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Mannuronic acid can be found in flaxseed, which makes mannuronic acid a potential biomarker for the consumption of this food product.
Cremeomycin
A diazo compound that is cyclohexa-1,3-diene substituted by carboxy, methoxy, diazo and oxo groups at positions 1, 4, 5, and 6, respectively. It is an natural product isolated from Streptomyces cremeus.
Glucuronate
A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES. Glucuronic acid, an important derivative of glucose, serves several key biological functions: Detoxification: Glucuronic acid plays a crucial role in the detoxification process within the liver. It conjugates with various toxins, drugs, and bilirubin (a breakdown product of heme) to form water-soluble glucuronides. This conjugation process enhances the elimination of these substances from the body. Glycosaminoglycan Synthesis: It is a precursor for the synthesis of glycosaminoglycans (GAGs), such as hyaluronic acid, chondroitin sulfate, and dermatan sulfate. These GAGs are important components of connective tissues, providing structural support and contributing to tissue hydration and lubrication. Ascorbic Acid (Vitamin C) Synthesis: In some animals, glucuronic acid is involved in the synthesis of ascorbic acid, an essential vitamin. Bile Acid Synthesis: Glucuronic acid is also involved in the synthesis of certain bile acids, which are crucial for the digestion and absorption of dietary fats. Metabolism of Steroids and Xenobiotics: It participates in the metabolism of steroids and various xenobiotics (foreign substances), aiding in their elimination from the body. Cell Signaling: Glucuronic acid-containing compounds, like GAGs, can interact with cell surface receptors and influence cell signaling pathways, impacting processes like cell growth, adhesion, and migration. DL-Glucuronic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=576-37-4 (retrieved 2024-07-01) (CAS RN: 576-37-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
1-(3-methoxy-5-prop-1-ynyl-thiophen-2-yl)-ethanone|2-acetyl-3-methoxy-5-(prop-1-ynyl)thiophen|3-Methoxy-5-propin-(1)-yl-2-acetyl-thiophen
C10H10O2S (194.04014800000002)
2-Hydroxy-1-[5-(1-propynyl)-2-thienyl]-1-propanone
C10H10O2S (194.04014800000002)
D-Glucuronic acid
A D-glucuronic acid in cyclic pyranose form. D-glucuronic acid, also known as glucuronate or glucuronic acid, monopotassium salt, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. D-glucuronic acid is soluble (in water) and a weakly acidic compound (based on its pKa). D-glucuronic acid can be found in a number of food items such as peach, dandelion, corn, and horseradish tree, which makes D-glucuronic acid a potential biomarker for the consumption of these food products. Glucuronic acid (from Ancient Greek γλυκύς "sweet" + οὖρον "urine") is a uronic acid that was first isolated from urine (hence the name). It is found in many gums such as gum arabic (c. 18\\\\%) and xanthan, and is important for the metabolism of microorganisms, plants and animals . D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].
D-Galacturonic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins The alpha-anomer of D-galacturonic acid.
2-keto-l-gulonic acid
D018977 - Micronutrients > D014815 - Vitamins > D000072664 - Provitamins
(-)-1-(Methylthio)propyl 1-propenyl disulfide
8-Chloro-6-Methyl-imidazo[1,2-a]pyridine-2-carbaldehyde
C9H7ClN2O (194.02468819999999)
1H-Benzimidazole-2-carboxaldehyde,6-chloro-1-methyl-(9CI)
C9H7ClN2O (194.02468819999999)
3-BUTEN-2-OL, 1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)-
4-Chloro-7-methoxy-1,6-naphthyridine
C9H7ClN2O (194.02468819999999)
2,3-DIHYDRO-7-METHOXY-4H-1-BENZOTHIOPYRAN-4-ONE
C10H10O2S (194.04014800000002)
2,3,4,5-tetrafluorobenzeneboronic acid
C6H3BF4O2 (194.01622160000002)
1H-Benzimidazole-2-carboxylicacid,1-hydroxy-,3-oxide(9CI)
3-Pyridinemethanamine, 2-fluoro-5-(trifluoromethyl)
Thieno[2,3-b]pyridine-2-carboxylicacid, 3-amino-
C8H6N2O2S (194.01499760000002)
Benzimidazole, 1-acetyl-2-chloro- (7CI)
C9H7ClN2O (194.02468819999999)
1,3-dihydro-4-(4-fluorophenyl)-2h-imidazole-2-thione
3-(2-Chlorophenyl)-1,2-oxazol-5-amine
C9H7ClN2O (194.02468819999999)
1H-Benzimidazole-4,7-dione,2-(methylthio)-(9CI)
C8H6N2O2S (194.01499760000002)
2-NITRO-BENZO[B]THIOPHEN-3-YLAMINE
C8H6N2O2S (194.01499760000002)
2-chloro-7-methoxy-1,5-naphthyridine
C9H7ClN2O (194.02468819999999)
1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
5-HYDROXY-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
5-(4-CHLORO-PHENYL)-2,4-DIHYDRO-PYRAZOL-3-ONE
C9H7ClN2O (194.02468819999999)
1,3,4-Oxadiazole-2(3H)-thione,5-(4-hydroxyphenyl)-
C8H6N2O2S (194.01499760000002)
6-Fluoro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
4(3H)-QUINAZOLINONE, 3-(CHLOROMETHYL)-
C9H7ClN2O (194.02468819999999)
4-CHLORO-1-METHYL-1H-PYRROLO[3,2-C]PYRIDINE-3-CARBALDEHYDE
C9H7ClN2O (194.02468819999999)
3-(difluoromethyl)-1-methylpyrazole-4-carbonyl chloride
1H-Indazole, 1-(chloroacetyl)- (9CI)
C9H7ClN2O (194.02468819999999)
3-(3-CHLOROPHENYL)ISOXAZOL-5-AMINE
C9H7ClN2O (194.02468819999999)
6-CHLORO-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
C9H7ClN2O (194.02468819999999)
6-Chloro-2-methylquinazolin-4(3H)-one
C9H7ClN2O (194.02468819999999)
N-(3-Chlorophenyl)-2-cyanoacetamide
C9H7ClN2O (194.02468819999999)
3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]THIAZINE-6-CARBALDEHYDE
C8H6N2O2S (194.01499760000002)
4-thiophen-3-yl-1H-pyrazole-5-carboxylic acid
C8H6N2O2S (194.01499760000002)
5-fluoro-6-hydroxy-1,3-benzothiazole-2-carbonitrile
3-Oxo-2,3-dihydrobenzo[b]thiophene-2-carboxylic acid
Methyl benzo-2,1,3-thiadiazole-5-carboxylate
C8H6N2O2S (194.01499760000002)
n-(4-chloro-3-cyanophenyl)acetamide
C9H7ClN2O (194.02468819999999)
N1-(3-CYANOPHENYL)-2-CHLOROACETAMIDE
C9H7ClN2O (194.02468819999999)
N-(2-Chlorophenyl)-2-cyanoacetamide
C9H7ClN2O (194.02468819999999)
Potassium 3-trifluoroboratopropionate methyl ester
2,3,5,6-tetrafluorobenzeneboronic acid
C6H3BF4O2 (194.01622160000002)
1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid
2-Cyclohexen-1-one, 3-hydroxy-5-(2-thienyl)-
C10H10O2S (194.04014800000002)
5-Chloromethyl-3-phenyl-[1,2,4]oxadiazole
C9H7ClN2O (194.02468819999999)
3-(4-Chlorophenyl)-5-methyl-1,2,4-oxadiazole
C9H7ClN2O (194.02468819999999)
8-chloro-3-methoxy-1,5-naphthyridine
C9H7ClN2O (194.02468819999999)
2,3-DIHYDRO-8-METHOXY-4H-1-BENZOTHIOPYRAN-4-ONE
C10H10O2S (194.04014800000002)
5-(3-thienyl)-1H-Pyrazole-3-Carbocylic acid
C8H6N2O2S (194.01499760000002)
6-Methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid
C10H10O2S (194.04014800000002)
3-Aminoisonicotinaldehyde dihydrochloride
C6H8Cl2N2O (194.00136579999997)
Sodium 1-hydroxy-3-(phosphonooxy)-2-propanolate
C3H8NaO6P (193.99561980000001)
2-Aminobenzothiazole5-carboxylicacid
C8H6N2O2S (194.01499760000002)
1-(6-Chloro-1H-indazol-1-yl)ethanone
C9H7ClN2O (194.02468819999999)
8-CHLORO-2-METHYLQUINAZOLIN-4(1H)-ONE
C9H7ClN2O (194.02468819999999)
1-(4-Chloro-1H-indazol-1-yl)ethanone
C9H7ClN2O (194.02468819999999)
4-Aminonicotinaldehyde dihydrochloride
C6H8Cl2N2O (194.00136579999997)
2-Chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1-ethanone
C9H7ClN2O (194.02468819999999)
4-Benzothiazolecarboxylicacid,2-amino-
C8H6N2O2S (194.01499760000002)
5-Amino-3-(4-chlorophenyl)isoxazole
C9H7ClN2O (194.02468819999999)
5-Thiophen-2-yl-1H-pyrazole-3-carboxylic acid
C8H6N2O2S (194.01499760000002)
1H-Benzimidazole,1-acetyl-5-chloro-(9CI)
C9H7ClN2O (194.02468819999999)
2-aMinobenzothiazole-6-carboxylic acid
C8H6N2O2S (194.01499760000002)
([1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YLOXY)-ACETIC ACID
2-(Chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
C9H7ClN2O (194.02468819999999)
1-(6-chloro-1H-benzimidazol-2-yl)ethanone,hydrochloride
C9H7ClN2O (194.02468819999999)
1-(3,5-DIFLUOROPYRIDIN-2-YL)ETHANAMINE HYDROCHLORIDE
2-(Chloromethyl)-1,4,5-trimethyl-1H-imidazole hydrochloride
2-(CHLOROMETHYL)QUINAZOLIN-4(3H)-ONE
C9H7ClN2O (194.02468819999999)
2-(Methylthio)-5-nitrobenzonitrile
C8H6N2O2S (194.01499760000002)
2-Benzothiazolecarboxamide,4-hydroxy-(9CI)
C8H6N2O2S (194.01499760000002)
6-Chloro-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
C9H7ClN2O (194.02468819999999)
5-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
C9H7ClN2O (194.02468819999999)
4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
C9H7ClN2O (194.02468819999999)
2-OXO-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]OXAZINE-6-CARBOXYLIC ACID
2-(4-Chlorophenyl)-5-methyl-1,3,4-oxadiazole
C9H7ClN2O (194.02468819999999)
2-(3-Chlorophenyl)-5-methyl-1,3,4-oxadiazole
C9H7ClN2O (194.02468819999999)
2-Chloro-5-(1,3-oxazol-4-yl)aniline
C9H7ClN2O (194.02468819999999)
3-(2-Thienyl)-1H-pyrazole-4-carboxylic acid
C8H6N2O2S (194.01499760000002)
4-(4-Chloro-phenyl)-isoxazol-5-ylamine
C9H7ClN2O (194.02468819999999)
5-CHLORO-3-FORMYL-6-METHYL-7-AZAINDOLE
C9H7ClN2O (194.02468819999999)
(2,3,4,6-TETRAFLUOROPHENYL)BORONIC ACID
C6H3BF4O2 (194.01622160000002)
2,7-diaza-bicyclo[3.5.0.0(5,9)]decantetra-1,3,6,8-one
2-(1-METHYLHYDRAZINO)-4,5-DIHYDRO-1H-IMIDAZOLE HYDROBROMIDE
C4H11BrN4 (194.01670259999997)
7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid
2-Aminobenzo[d]thiazole-7-carboxylic acid
C8H6N2O2S (194.01499760000002)
4-amino-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid
Ethanone, 1-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-
C9H7ClN2O (194.02468819999999)
3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZINE-6-CARBOXYLIC ACID
3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole
C9H7ClN2O (194.02468819999999)
2-CHLORO-7-METHYLQUINAZOLIN-4(3H)-ONE
C9H7ClN2O (194.02468819999999)
3-(4-Methylsulfanyl-phenyl)-acrylic acid
C10H10O2S (194.04014800000002)
2-HYDRAZINO-1,4,5,6-TETRAHYDROPYRIMIDINE HYDROBROMIDE
C4H11BrN4 (194.01670259999997)
2-METHYL-5-NITROPHENYL ISOTHIOCYANATE
C8H6N2O2S (194.01499760000002)
2,3-diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone
C5H5F3N4O (194.04154359999998)
4-chloro-1-methylquinazolin-2(1H)-one
C9H7ClN2O (194.02468819999999)
4-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
C9H7ClN2O (194.02468819999999)
2-chloro-6-methoxy-1,7-naphthyridine
C9H7ClN2O (194.02468819999999)
4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-6-(METHYLTHIO)-
C10H10O2S (194.04014800000002)
sodium,formaldehyde,hydrogen sulfite,urea
C2H7N2NaO5S (193.99733719999998)
2-mercapto-5-benzimidazolecarboxylic acid
C8H6N2O2S (194.01499760000002)
METHYL BENZO[D][1,2,3]THIADIAZOLE-5-CARBOXYLATE
C8H6N2O2S (194.01499760000002)
3-CHLORO-2-METHYL-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
C9H7ClN2O (194.02468819999999)
2-Mercapto-1H-benzoimidazole-4-carboxylic acid
C8H6N2O2S (194.01499760000002)
8-Chloro-2-methoxy-1,5-naphthyridine
C9H7ClN2O (194.02468819999999)
4-methyl-2-nitrophenyl isothiocyanate
C8H6N2O2S (194.01499760000002)
1-METHYL-1H-INDAZOLE-3-CARBOXYCHLORIDE
C9H7ClN2O (194.02468819999999)
1-ISOTHIOCYANATO-2-METHYL-3-NITROBENZENE
C8H6N2O2S (194.01499760000002)
(1R)-1-(PYRIDIN-4-YL)ETHAN-1-AMINE DIHYDROCHLORIDE
1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
1-(5-Chloro-1H-indazol-1-yl)ethanone
C9H7ClN2O (194.02468819999999)
Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
2-CHLORO-6-METHYLQUINAZOLIN-4(3H)-ONE
C9H7ClN2O (194.02468819999999)
2-Hydroxy-2-(hydroxymethyl)-3,3-dimethylcyclopropyl carbonochlori date
N-(4-Chlorophenyl)-2-cyanoacetamide
C9H7ClN2O (194.02468819999999)
1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,2-amino-4,7-dihydro-4-oxo-,
1H-Pyrrolo[3,2-d]pyrimidine-7-carboxylicacid,2-amino-4,5-dihydro-4-oxo-
1-(4-Chlorophenyl)-1H-pyrazol-3-ol
C9H7ClN2O (194.02468819999999)
4H-Pyrido[1,2-a]pyrimidin-4-one,2-chloro-7-methyl-
C9H7ClN2O (194.02468819999999)
1,3,4-Oxadiazole,2-(chloromethyl)-5-phenyl-
C9H7ClN2O (194.02468819999999)
2-Methyl-5-trifluoroMethyl-2H-pyrazole-3-carboxylic acid
5-(1H-Pyrazol-4-yl)thiophene-2-carboxylic acid
C8H6N2O2S (194.01499760000002)
4-chloro-2-(1h-pyrazol-3-yl)phenol
C9H7ClN2O (194.02468819999999)
1H-Benzimidazole, 1-(chloroacetyl)- (9CI)
C9H7ClN2O (194.02468819999999)
1-(4-chlorophenyl)-1H-pyrazol-4-ol
C9H7ClN2O (194.02468819999999)
Chloro-dimethyl-(2-phenylethynyl)silane
C10H11ClSi (194.03185159999998)
D-Glucuronic acid
D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1]. D-Glucuronic acid is an important intermediate isolated from many gums. D-Glucuronic acid and its derivative glucuronolactone are as a liver antidote in the prophylaxis of human health. D-Glucuronic acid has an anti-inflammatory effect for the skin[1].
(2S,3R,4S,5R)-5-Carboxy-2,3,4,5-tetrahydroxypentanal
L-idopyranuronic acid
The L-stereoisomer of idopyranuronic acid.
(2S,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid
(2R,3S,4S,5R,6S)-3,4,5,6-Tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid
(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
(2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylate
(2Z)-2-amino-3-hydroxy-3-(4-hydroxyphenyl)prop-2-enoate
6-oxo-5-[(E)-3-oxoprop-1-enyl]pyran-2-carboxylic acid
6-oxo-4-[(E)-3-oxoprop-1-enyl]pyran-2-carboxylic acid
alpha-L-glucopyranuronic acid
A L-glucopyranuronic acid with an alpha-configuration at the anomeric position.
m-Hydroxyhippurate
A monocarboxylic acid anion that is the conjugate base of m-hydroxyhippuric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(E)-3-(2-Amino-4-chlorophenoxy)prop-2-enenitrile
C9H7ClN2O (194.02468819999999)
5-dehydro-L-gluconic acid
A ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidised to the corresponding ketone.
p-Hydroxyhippurate
A monocarboxylic acid anion that is the conjugate base of p-hydroxyhippuric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Salicylurate
A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
alpha-L-iduronic acid
A L-idopyranuronic acid with an alpha-configuration at the anomeric position.
3-Dehydro-L-gulonic acid
A derivative of L-gulonic acid having a keto group at the 3-position.
2-chloro-3-oxoadipic acid
An oxo dicarboxylic acid that is adipic acid which is substituted by a chloro group at position 2 and by an oxo group at position 3.
2-dehydro-L-gluconic acid
A ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidized to a keto group.
beta-D-glucuronic acid
A D-glucopyranuronic acid in which the anomeric centre has beta-configuration.
alpha-D-Glucuronic acid
A D-glucopyranuronic acid in which the anomeric centre has alpha-configuration.
(2r,3s,4r,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
1-[3-methoxy-5-(prop-1-yn-1-yl)thiophen-2-yl]ethanone
C10H10O2S (194.04014800000002)
1-(1-Methyl thiopropyl)-1-propenyl disulfide
{"Ingredient_id": "HBIN000475","Ingredient_name": "1-(1-Methyl thiopropyl)-1-propenyl disulfide","Alias": "AC1NSYM7; 1-methylsulfanyl-1-(prop-1-enyldisulfanyl)propane; 1-(1-methyl thiopropyl)-1-propenyl disulfide","Ingredient_formula": "C7H14S3","Ingredient_Smile": "CCC(SC)SSC=CC","Ingredient_weight": "194.42","OB_score": "49.71529262","CAS_id": "NA","SymMap_id": "SMIT00917","TCMID_id": "14755","TCMSP_id": "MOL013035","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1e,3r,5z)-1,6-dichloro-2-methylhepta-1,5-dien-3-ol
5-(methylamino)-1,2-benzothiazole-4,7-dione
C8H6N2O2S (194.01499760000002)