Exact Mass: 194.044
Exact Mass Matches: 194.044
Found 500 metabolites which its exact mass value is equals to given mass value 194.044,
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
Temozolomide
Temozolomide (Temodar and Temodal) is an oral alkylating agent used for the treatment of refractory anaplastic astrocytoma -- a type of cancerous brain tumor. Temozolomide is not active until it is converted at physiologic pH to the active form, 5-(3-methyltriazen-1-yl)imidazole-4-carboxamide (MTIC). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
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.
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.
L-Altruronic acid
L-Altruronic acid is produced during pectin saponification, by epimerisation of
Bis(2-furanylmethyl) sulfide
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
(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
2-Hydroxy-1-[5-(1-propynyl)-2-thienyl]-1-propanone
Methyl_caffeate
Methyl caffeate is an alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. It is an alkyl caffeate ester and a methyl ester. Methyl caffeate is a natural product found in Smilax bracteata, Fumaria capreolata, and other organisms with data available. See also: Black Cohosh (part of). An ester formed by the formal condensation of caffeic acid with methyl alcohol. Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1]. Methyl caffeate, an antimicrobial agent, shows moderate antimicrobial and prominent antimycobacterial activities. Methyl caffeate also exhibits α-glucosidase inhibition activity, oxidative stress inhibiting activity, anti-platelet activity, antiproliferative activity in cervix adenocarcinoma and anticancer activity in lung and leukmia cell lines[1].
Monoethyl phthalate
A phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol. CONFIDENCE standard compound; INTERNAL_ID 8232 CONFIDENCE standard compound; INTERNAL_ID 4205
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].
ferulate
Ferulic acid, also known as 4-hydroxy-3-methoxycinnamic acid or 3-methoxy-4-hydroxy-trans-cinnamic acid, is a member of the class of compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Ferulic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ferulic acid can be found in a number of food items such as flaxseed, pepper (c. chinense), chinese cinnamon, and wakame, which makes ferulic acid a potential biomarker for the consumption of these food products. Ferulic acid can be found primarily in blood, feces, and urine, as well as in human fibroblasts and stratum corneum tissues. Ferulic acid exists in all eukaryotes, ranging from yeast to humans. Ferulic acid is a hydroxycinnamic acid, a type of organic compound. It is an abundant phenolic phytochemical found in plant cell walls, covalently bonded as side chains to molecules such as arabinoxylans. As a component of lignin, ferulic acid is a precursor in the manufacture of other aromatic compounds. The name is derived from the genus Ferula, referring to the giant fennel (Ferula communis) . D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.
trans-ferulic acid
Annotation level-1 (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1].
Ferulic acid
(E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. (E)-Ferulic acid is a isomer of Ferulic acid which is an aromatic compound, abundant in plant cell walls. (E)-Ferulic acid causes the phosphorylation of β-catenin, resulting in proteasomal degradation of β-catenin and increases the expression of pro-apoptotic factor Bax and decreases the expression of pro-survival factor survivin. (E)-Ferulic acid shows a potent ability to remove reactive oxygen species (ROS) and inhibits lipid peroxidation. (E)-Ferulic acid exerts both anti-proliferation and anti-migration effects in the human lung cancer cell line H1299[1]. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.
D-Galacturonic acid
D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins The alpha-anomer of D-galacturonic acid.
Isoferulic acid
Isoferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. It has a role as a metabolite, a biomarker and an antioxidant. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities.
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid
temozolomide
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
trans-Ferulic acid; [M+H-H2O]+
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KSEBMYQBYZTDHS-HWKANZROSA-N_STSL_0233_trans-Ferulic acid_0500fmol_190114_S2_LC02MS02_056; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based: Match]
(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid [IIN-based on: CCMSLIB00000846001]
2-keto-l-gulonic acid
D018977 - Micronutrients > D014815 - Vitamins > D000072664 - Provitamins
(5-CHLORO-7-IODO-QUINOLIN-8-YLOXY)-ACETICACIDHYDRAZIDE
1H-Benzimidazole-2-carboxylicacid,1-hydroxy-,3-oxide(9CI)
3-Pyridinemethanamine, 2-fluoro-5-(trifluoromethyl)
1,3-dihydro-4-(4-fluorophenyl)-2h-imidazole-2-thione
DIALLYLOXYACETIC ACID, SODIUM SALT, 50 WT. SOLUTION IN WATER
1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
5-HYDROXY-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
METHYL 6-FLUORO-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLATE
6-Fluoro-3-oxo-2,3-dihydro-1H-indene-1-carboxylic acid
3-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
1-Methyl-3-trifluoromethy lpyrazole-5-boronic acid
2-CHLORO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE
6-Methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid
1H,5H-Pyrazolo[1,2-a]-s-triazole-6-carboxylicacid,2,3-dihydro-1,3,5-triimino-
1,4-Benzodioxin-6-carboxylic acid,2,3-dihydro-8-methyl-
3-(METHOXYCARBONYL)BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID
([1,2,4]TRIAZOLO[4,3-B]PYRIDAZIN-6-YLOXY)-ACETIC ACID
1-(3,5-DIFLUOROPYRIDIN-2-YL)ETHANAMINE HYDROCHLORIDE
2-(Chloromethyl)-1,4,5-trimethyl-1H-imidazole hydrochloride
2-OXO-2,3-DIHYDRO-1H-PYRIDO[2,3-B][1,4]OXAZINE-6-CARBOXYLIC ACID
Thieno[2,3-b]pyridine-3-methanol,-alpha--(aminomethyl)- (9CI)
2,7-diaza-bicyclo[3.5.0.0(5,9)]decantetra-1,3,6,8-one
7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylic acid
3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPINE-6-CARBOXYLIC ACID
4-amino-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]OXAZINE-6-CARBOXYLIC ACID
Methyl acetylsalicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2,3-diamino-6-(trifluoromethyl)-4(3H)-pyrimidinone
4H-1-BENZOPYRAN-4-ONE, 2,3-DIHYDRO-6-(METHYLTHIO)-
(1R)-1-(PYRIDIN-4-YL)ETHAN-1-AMINE DIHYDROCHLORIDE
2,3,7-trimethyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
1-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid
(2S,3S,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
1-chloro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one
7-methoxy-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde(SALTDATA: FREE)
Methyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
2-Hydroxy-2-(hydroxymethyl)-3,3-dimethylcyclopropyl carbonochlori date
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-
2-Methyl-5-trifluoroMethyl-2H-pyrazole-3-carboxylic acid
5,6,7,8-TETRAHYDRO-NAPHTHALENE-1-CARBONYL CHLORIDE
5-Methyl-6-(2-thienyl)-2,3,4,5-tetrahydropyridazin-3-one
2-Propenoic acid, 2-hydroxy-3-(4-methoxyphenyl)-, (2Z)-
4-Methoxy-7-oxocyclohepta-1,3,5-trien-1-yl acetate
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].
Mipax
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents D010575 - Pesticides > D007302 - Insect Repellents D020011 - Protective Agents D016573 - Agrochemicals D005404 - Fixatives
537-73-5
Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. Isoferulic acid (3-Hydroxy-4-methoxycinnamic acid) is a cinnamic acid derivative that has antidiabetic activity. Isoferulic acid binds to and activates α1-adrenergic receptors (IC50=1.4 μM) to enhance secretion of β-endorphin (EC50=52.2 nM) and increase glucose use. Isoferulic acid also has anti-influenza virus activities. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2]. trans-Isoferulic acid (trans-3-Hydroxy-4-methoxycinnamic acid) is an aromatic acid isolated from the roots of Clematis florida var. plena. trans-Isoferulic acid exhibits anti-inflammatory activity[1].trans-isoferulic acid suppresses NO and PGE2 production through the induction of Nrf2-dependent heme oxygenase-1 (HO-1)[2].
(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
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.
4-(2,4,7-Trioxa-bicyclo[4.1.0]heptan-3-yl)phenol
A cyclic acetal resulting from the formal condensation of the aldehydic group of p-hydroxybenzaldehyde with the hydroxy groups of 1,2-epoxypropane-1,3-diol. Isolated from Pestalotiopsis mangiferae, an endophytic fungus associated with the mango (Mangifera indica), it shows potent antibacterial and antifungal activity against E. coli, Bacillus subtilis, Klebsiella pneumoniae, Micrococcus luteus, Pseudomonas aeruginosa and Candida albicans.
(Z)-2-hydroxy-3-(3-methoxyphenyl)prop-2-enoic Acid
2-[(1-Oxo-2,4,6-cycloheptatrien-2-yl)oxy]acetic acid methyl ester
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.
2,5-Dihydroxycinnamic acid methyl ester
A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid.
Methyl 2,5-dihydroxycinnamate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
cis-ferulic acid
A ferulic acid consisting of cis-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
3-(benzyloxy)-3-oxopropanoic acid
A dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol.
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.
4-Hydroxymellein
An isochromane that is mellein bearing a hydroxy group at position 4.
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
4-hydroxy-6-methoxy-5-methyl-3h-2-benzofuran-1-one
7-hydroxy-3-(1-hydroxyethyl)-3h-2-benzofuran-1-one
5,6-dihydroxy-2-methyl-2,3-dihydro-1-benzopyran-4-one
[(1s)-4-hydroxy-1,3-dihydro-2-benzofuran-1-yl]acetic acid
(3z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]oxiran-2-ol
(3r)-3,6,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one
1-[3-methoxy-5-(prop-1-yn-1-yl)thiophen-2-yl]ethanone
(3s,4s)-3,4,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one
7-hydroxy-6-methoxy-3,4-dihydro-1-benzopyran-2-one
(4s)-4,5,8-trihydroxy-3,4-dihydro-2h-naphthalen-1-one
(2r)-2,7-dihydroxy-2,4-dimethyl-1-benzofuran-3-one
3-(2-hydroxy-4-methoxy-phenyl)acrylic acid
{"Ingredient_id": "HBIN007043","Ingredient_name": "3-(2-hydroxy-4-methoxy-phenyl)acrylic acid","Alias": "3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid; 3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)acrylic acid; (E)-3-(2-hydroxy-4-methoxyphenyl)prop-2-enoic acid; (E)-3-(2-hydroxy-4-methoxy-phenyl)prop-2-enoic acid","Ingredient_formula": "C10H10O4","Ingredient_Smile": "COC1=CC(=C(C=C1)C=CC(=O)O)O","Ingredient_weight": "194.18","OB_score": "104.7924514","CAS_id": "16202-50-9","SymMap_id": "SMIT12893","TCMID_id": "NA","TCMSP_id": "MOL012087","TCM_ID_id": "NA","PubChem_id": "12840862","DrugBank_id": "NA"}
3ξ-(1ξ-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone
{"Ingredient_id": "HBIN009775","Ingredient_name": "3\u03be-(1\u03be-hydroxyethyl)-7-hydroxy-1-isobenzo-furanone","Alias": "NA","Ingredient_formula": "C10H10O4","Ingredient_Smile": "CC(C1C2=C(C(=CC=C2)O)C(=O)O1)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10103","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
