Exact Mass: 418.30829320000004
Exact Mass Matches: 418.30829320000004
Found 500 metabolites which its exact mass value is equals to given mass value 418.30829320000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3a,7a-Dihydroxy-5b-cholestan-26-al
3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al is an intermediate involved in bile acid biosynthesis, specifically in the synthesis of chenodeoxyglycocholate and lithocholate. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al is an intermediate involved in bile acid biosynthesis, specifically in the synthesis of chenodeoxyglycocholate and lithocholate. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB]
20a,22b-Dihydroxycholesterol
20alpha,22beta-Dihydroxycholesterol is an intermediate in C21-Steroid hormone metabolism. 20alpha,22beta-Dihydroxycholesterol is the 8th to last step in the synthesis of 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al and is converted from 20alpha-Hydroxycholesterol via the enzyme cytochrome P450 (EC 1.14.15.6). It is then converted to Pregnenolone via the enzyme cytochrome P450 (EC 1.14.15.6). [HMDB] 20alpha,22beta-Dihydroxycholesterol is an intermediate in C21-Steroid hormone metabolism. 20alpha,22beta-Dihydroxycholesterol is the 8th to last step in the synthesis of 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al and is converted from 20alpha-Hydroxycholesterol via the enzyme cytochrome P450 (EC 1.14.15.6). It is then converted to Pregnenolone via the enzyme cytochrome P450 (EC 1.14.15.6).
7-a,27-Dihydroxycholesterol
7-a,27-dihydroxycholesterol is an intermediate in bile acid biosynthesis. The enzyme 27-Hydroxycholesterol 7alpha-monooxygenase [EC:1.14.13.60] catalyzes the production of this metabolite from 27-hydroxycholesterol. This enzyme reaction is irreversible and occurs in the endoplasmic reticulum. [HMDB] 7-a,27-dihydroxycholesterol is an intermediate in bile acid biosynthesis. The enzyme 27-Hydroxycholesterol 7alpha-monooxygenase [EC:1.14.13.60] catalyzes the production of this metabolite from 27-hydroxycholesterol. This enzyme reaction is irreversible and occurs in the endoplasmic reticulum.
8-apo-beta-Carotenol
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(24S)-7alpha,24-Dihydroxycholesterol
This compound belongs to the family of Trihydroxy Bile Acids, Alcohols and Derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
7-a,25-Dihydroxycholesterol
7α, 25-dihydroxycholesterol (7α,25-OHC) is a potent and selective agonist and endogenous ligand of the orphan GPCR receptor EBI2 (GPR183). 7α, 25-dihydroxycholesterol is highly potent at activating EBI2 (EC50=140 pM; Kd=450 pM). 7α, 25-dihydroxycholesterol can serve as a chemokine directing migration of B cells, T cells and dendritic cells[1][2].
7a,12a-Dihydroxy-5a-cholestan-3-one
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one is an intermediate in bile acid biosynthesis. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one is an intermediate in bile acid biosynthesis. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g., membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues. (PMID: 11316487, 16037564, 12576301, 11907135) [HMDB]
Palmitoyl glucuronide
Palmitoyl glucuronide is a natural human metabolite of Palmitic acid generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Palmitoyl glucuronide is a natural human metabolite of Palmitic acid generated in the liver by UDP glucuonyltransferase.
Simvastatin
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3144 CONFIDENCE standard compound; INTERNAL_ID 1128
3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one diacetate
Simvastatin
Simvastatin is a hypolipidemic drug belonging to the class of pharmaceuticals called statins. It is used to control hypercholesterolemia (elevated cholesterol levels) and to prevent cardiovascular disease. Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus; Simvastatin is a powerful lipid-lowering drug that can decrease low density lipoprotein (LDL) levels by up to 50 percent. It is used in doses of 5 mg up to 80 mg. Higher doses (160 mg) have been found to be too toxic, while giving only minimal benefit in terms of lipid lowering. There is no real effect on HDL and triglyceride levels.; Simvastatin (INN) is a hypolipidemic drug belonging to the class of pharmaceuticals called statins. It is used to control hypercholesterolemia (elevated cholesterol levels) and to prevent cardiovascular disease. Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus; The drug is the form of an inactive lactone that is hydrolized after ingestion to produce the active agent. It is a white, nonhygroscopic, crystalline powder that is practically insoluble in water, and freely soluble in chloroform, methanol and ethanol; Ezetimibe/simvastatin is a combination product to lower lipids and marketed as Vytorin. [HMDB] Simvastatin is a hypolipidemic drug belonging to the class of pharmaceuticals called statins. It is used to control hypercholesterolemia (elevated cholesterol levels) and to prevent cardiovascular disease. Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus; Simvastatin is a powerful lipid-lowering drug that can decrease low density lipoprotein (LDL) levels by up to 50 percent. It is used in doses of 5 mg up to 80 mg. Higher doses (160 mg) have been found to be too toxic, while giving only minimal benefit in terms of lipid lowering. There is no real effect on HDL and triglyceride levels. Simvastatin (INN) is a hypolipidemic drug belonging to the class of pharmaceuticals called statins. It is used to control hypercholesterolemia (elevated cholesterol levels) and to prevent cardiovascular disease. Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus; The drug is the form of an inactive lactone that is hydrolized after ingestion to produce the active agent. It is a white, nonhygroscopic, crystalline powder that is practically insoluble in water, and freely soluble in chloroform, methanol and ethanol; Ezetimibe/simvastatin is a combination product to lower lipids and marketed as Vytorin. C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Simvastatin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=79902-63-9 (retrieved 2024-10-09) (CAS RN: 79902-63-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol
(24R)-Cholest-5-ene-3-beta,7-alpha,24-triol is a hydroxysterol and a bile acid intermediate. It is produced from the reaction of 24(R)-Hydroxycholesterol with the enzyme CYP39A, which is also known as 24-hydroxycholesterol 7alpha-hydroxylase (EC 1.14.13.99). This enzyme catalyzes the following reaction: (24R)-cholest-5-ene-3beta,24-diol + NADPH + H+ O2 = (24R)-cholest-5-ene-3beta,7alpha,24-triol + NADP+ + H2O. This leads to the 7-alpha hydroxylation of 24(R)-hydroxycholesterol. This enzyme can act on both the 24R and 24S isomers. [HMDB] (24R)-Cholest-5-ene-3-beta,7-alpha,24-triol is a hydroxysterol and a bile acid intermediate. It is produced from the reaction of 24(R)-Hydroxycholesterol with the enzyme CYP39A, which is also known as 24-hydroxycholesterol 7alpha-hydroxylase (EC 1.14.13.99). This enzyme catalyzes the following reaction: (24R)-cholest-5-ene-3beta,24-diol + NADPH + H+ O2 = (24R)-cholest-5-ene-3beta,7alpha,24-triol + NADP+ + H2O. This leads to the 7-alpha hydroxylation of 24(R)-hydroxycholesterol. This enzyme can act on both the 24R and 24S isomers.
Cavipetin D
Cavipetin D is found in mushrooms. Cavipetin D is a constituent of the edible mushroom (Boletinus cavipes) Constituent of the edible mushroom (Boletinus cavipes). Cavipetin D is found in mushrooms.
beta-Citraurinene
beta-Citraurinene is found in citrus. beta-Citraurinene is a constituent of citrus peel Constituent of citrus peel. beta-Citraurinene is found in citrus.
Hexadecyl ferulate
Hexadecyl ferulate is found in potato. Hexadecyl ferulate is isolated from Ipomoea batatas (sweet potato). Isolated from Ipomoea batatas (sweet potato). Hexadecyl ferulate is found in root vegetables and potato.
7a,12a-Dihydroxy-5b-cholestan-3-one
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one is an intermediate in bile acid biosynthesis. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135).
11'-Carboxy-alpha-chromanol
11-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 11-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. The tocopherols ( a-tocopherol , b-tocopherol ,r-tocopherol and d-tocopherol ) and their corresponding tocotrienols are synthesized by plants and have vitamin E antixoidant activity (see pathway vitamin E biosynthesis ). They differ in the number and location of methyl groups on the chromanol ring. The naturally occurring form of a-tocopherol is (2R,4R,8R)-a-tocopherol (synonym (R,R,R)-a-tocopherol). Synthetic a-tocopherols are a racemic mixture of eight different R and S stereoisomers. Only the 2R forms are recognized as meeting human requirements. The in vivo function of vitamin E is to scavenge peroxyl radicals via its phenolic (chromanol) hydroxyl group, thus protecting lipids against free radical-catalyzed peroxidation. The tocopheryl radical formed can then be reduced by reductants such as L-ascorbate. Other major products of a-tocopherol oxidation include α-tocopherylquinone and epoxy-a-tocopherols. The metabolites a-tocopheronic acid and its lactone, known as the Simon metabolites, are generally believed to be artefacts. In addition to these oxidation products, the other major class of tocopherol metabolites is the carboxyethyl-hydroxychromans.These metabolites are produced in significant amounts in response to excess vitamin E ingestion. Vitamin E is fat-soluble and its utilization requires intestinal fat absorption mechanisms. It is secreted from the intestine into the lymphatic system in chylomicrons which subsequently enter the plasma. Lipolysis of these chylomicrons can result in delivery of vitamin E to tissues, transfer to high-density lipoproteins (and subsequently to other lipoproteins via the phospholipid exchange protein), or retention in chylomicron remnants. These remnants are taken up by the liver. Natural (R,R,R)-α-tocopherol and synthetic 2R-α-tocopherols are then preferentially secreted from the liver into plasma as a result of the specificity of the α-tocopherol transfer protein. This protein, along with the metabolism of excess vitamin E in the liver and excretion into urine and bile, mediate the supply of a-tocopherol in plasma and tissues. 11-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 11-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
7alpha,24-dihydroxy-5beta-cholestan-3-one
7alpha,24-dihydroxy-5beta-cholestan-3-one is also known as 5beta-Cholestan-7alpha,24-diol-3-one. 7alpha,24-dihydroxy-5beta-cholestan-3-one is considered to be practically insoluble (in water) and basic. 7alpha,24-dihydroxy-5beta-cholestan-3-one is a bile acid lipid molecule
7alpha,26-dihydroxy-5beta-cholestan-3-one
7alpha,26-dihydroxy-5beta-cholestan-3-one is also known as 5beta-Cholestan-7alpha,26-diol-3-one. 7alpha,26-dihydroxy-5beta-cholestan-3-one is considered to be practically insoluble (in water) and relatively neutral. 7alpha,26-dihydroxy-5beta-cholestan-3-one is a bile acid lipid molecule
(25R)-4beta,26-dihydroxycholesterol
(25R)-4beta,26-dihydroxycholesterol is also known as (3beta,4beta,25R)-Cholest-5-ene-3,4,26-triol. (25R)-4beta,26-dihydroxycholesterol is considered to be practically insoluble (in water) and relatively neutral
4beta,7alpha-dihydroxycholesterol
4beta,7alpha-dihydroxycholesterol is also known as (3beta,4beta,7alpha)-Cholest-5-ene-3,4,7-triol. 4beta,7alpha-dihydroxycholesterol is considered to be practically insoluble (in water) and relatively neutral
4beta,24S-dihydroxycholesterol
4beta,24S-dihydroxycholesterol is also known as (3beta,4beta,24S)-Cholest-5-ene-3,4,24-triol. 4beta,24S-dihydroxycholesterol is considered to be practically insoluble (in water) and relatively neutral
N-Arachidonoyl Asparagine
N-arachidonoyl asparagine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Arachidonic acid amide of Asparagine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Arachidonoyl Asparagine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Arachidonoyl Asparagine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(1R)-5-[2-[(1S,7As)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
7-Hydroperoxycholesterol
Cholesterol-5beta-hydroperoxide
(1R,3S,7R,8R,8As)-8-{2-[(2R,4S)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
Simvastatin is a hypolipidemic drug belonging to the class of pharmaceuticals called statins. It is used to control hypercholesterolemia (elevated cholesterol levels) and to prevent cardiovascular disease. Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus; Simvastatin is a powerful lipid-lowering drug that can decrease low density lipoprotein (LDL) levels by up to 50 percent. It is used in doses of 5 mg up to 80 mg. Higher doses (160 mg) have been found to be too toxic, while giving only minimal benefit in terms of lipid lowering. There is no real effect on HDL and triglyceride levels.; Simvastatin (INN) is a hypolipidemic drug belonging to the class of pharmaceuticals called statins. It is used to control hypercholesterolemia (elevated cholesterol levels) and to prevent cardiovascular disease. Simvastatin is a synthetic derivate of a fermentation product of Aspergillus terreus; The drug is the form of an inactive lactone that is hydrolized after ingestion to produce the active agent. It is a white, nonhygroscopic, crystalline powder that is practically insoluble in water, and freely soluble in chloroform, methanol and ethanol; Ezetimibe/simvastatin is a combination product to lower lipids and marketed as Vytorin. [HMDB]
Valbenazine
MG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0/0:0)
MG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0/0:0)
MG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0/0:0)
MG(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0/0:0)
MG(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0/0:0)
MG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0)
MG(0:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0)
MG(0:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0)
MG(0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0)
MG(0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0)
MG(0:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
Furost-5-ene-3beta,22,26-triol
Furost-5-ene-3beta,22,26-triol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Furost-5-ene-3beta,22,26-triol can be found in fenugreek, which makes furost-5-ene-3beta,22,26-triol a potential biomarker for the consumption of this food product.
8'-Apo-b-caroten-8'-ol
8-apo-b-caroten-8-ol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. 8-apo-b-caroten-8-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 8-apo-b-caroten-8-ol can be found in mandarin orange (clementine, tangerine), which makes 8-apo-b-caroten-8-ol a potential biomarker for the consumption of this food product.
3alpha-Angeloyloxy-18-hydroxy-ent-labd-8(17)-13E-dien-15-oic acid
6alpha-Angeloyloxy-7-oxo-13,14-dihydrokolavenic acid
Aplysinoplide B
A sesterterpenoid isolated from the marine sponge Aplysinopsis digitata that exhibits cytotoxicity against P388 mouse leukemia cells.
12beta,16alpha,20-Trihydroxy-17-scalaren-19,20-olide
3beta,11-dihydroxy-9,11-secocholest-5-en-9-one|3beta-3,11-Dihydroxy-9,11-secocholest-5-en-9-one
seco-plakortolide K
A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradecyl group at position 5 and a methyl group at position 5 (the 4R,5R stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata.
22, 23-Dihydro-(3beta, 5alpha, 6beta, 22E)-Cholesta-7, 22-diene-3, 5, 6-triol, 9CI
12beta,16beta-dihydroxy-24-methyl-24-oxoscalaran-25-al
(1alpha, 3beta, 11alpha)-Cholest-5-ene-1, 3, 11-triol
(3S,5E,7E,10S)-9,10-Secocholesta-5,7-diene-3,24,25-triol
3,7,11,15-tetramethyl-n-octadec-13-ene-3,4,6,7,8,11-hexol-12-one
3beta-hydroxy-5beta-hydroxy-B-norcholestane-6beta-carboxaldehyde
(5alpha,12beta,16beta,17alpha,17abeta)-17a,20-lactone-12,16,20-trihydroxy-4,4,8-trimethyl-D(17a)-homopregnane-17a-carboxylic acid|12,16-dihydroxy-24-methylscalaran-25,24-olide
(10R)-3c,5t,8t-Trihydroxy-10r,13c-dimethyl-17c-((R)-1,5-dimethyl-hexyl)-(9tH,14tH)-Delta6-tetradecahydro-1H-cyclopenta[a]phenanthren|3beta,5,8-Trihydroxy-10,13-dimethyl-17beta-((R)-1,5-dimethyl-hexyl)-5alpha,8alpha-gonen-(6)|3beta,5alpha,8alpha-Trihydroxycholest-6-en|5alpha,8alpha-Cholesten-(6)-triol-(3beta,5,8)|5alpha,8alpha-cholestene-(6)-triol-(3beta,5,8)|5alpha,8alpha-epidioxy-cholest-6-ene-3-ol
(3beta, 5alpha, 6alpha, 23?鈥?-Cholest-9(11)-ene-3, 6, 23-triol
(3S,5E,7E,10S)-9,10-Secocholesta-5,7-diene-3,23,25-triol
2,5-dihydroxy-3-methyl-6-nonadec-14-enylcyclohexa-2,5-diene-1,4-dione
3,7,11,15-tetramethyl-n-hexadecan-3alpha-ol-1-yl benzoate|orizaditerpenyl benzoate
3.alpha.,7.beta.-Dihydroxy-5.beta.,6.beta.-epoxycholestane
(3beta, 7beta)-Cholest-5-ene-3, 7, 19-triol|5-cholesten-3beta,7beta,19-triol|cholest-5-en-3beta,7beta,19-triol|cholest-5-ene-3,7,19-triol
4-hydroxymethyl-7-(2,2,6-trimethylcyclohexyl)-heptanyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate
5,6-seco-5-oxo-cholestan-6-oic acid|5-oxo-5,6-seco-cholestan-6-oic acid|5-Oxo-5,6-seco-cholestan-6-saeure|5-Oxo-5,6-seco-cholestansaeure-(6)|5-Oxo-5.6-seco-cholestansaeure-(6)
(5Z,8Z,10E,12R,14Z)-methyl 12-(3-methyl-1-oxobutoxy)-5,8,10,14-eicosatetraenoate|dichotellate B
(22E)-1beta,3beta,5alpha-trihydroxy-24-norcholest-22-en-6-one
3beta-O-acetyl-12beta-hydroxy-23,24,25,26,27-hexanordammarane-20-one
cholest-24-ene-3beta,5alpha,6beta-triol|muriflasteroid C
24-nor-3beta,6alpha,11-trihydroxy-9,11-seco-5alpha-cholest-7,22(E)-dien-9-one
cholest-5-en-1alpha,3beta,4alpha-triol|easitoerol 3
ent-3beta-angeloyloxy-16beta-methoxy-17-hydroxykaurane
5alpha-Cholestan-3beta,6alpha-diol-23-on|Tetrahydromarthasteron
1-O-Palmitoyl-D-fructopyranose|hexadecanoic 1-O-beta-D-fructoside|hexadecanoic fructoside
(3S,5Z,10xi)-3,10-Dihydroxy-9,10-secocholest-5-en-7-one
hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
hexadecyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate [IIN-based: Match]
3,5-dihydroxy-B-norcholestane-6-carboxaldehyde
(5Z,7E)-(1R)-9,10-seco-3-thia-5,7,10(19)-cholestatriene-1,25-diol
(5Z,7E)-(1S)-9,10-seco-3-thia-5,7,10(19)-cholestatriene-1,25-diol
(5Z)-1,25-dihydroxy-3-thiavitamin D3 / (5Z)-1,25-dihydroxy-3-thiacholecalciferol
(24R)-1α,24-dihydroxy-22-oxavitamin D3 / (24R)-1α,24-dihydroxy-22-oxacholecalciferol
(5Z,7E)-(1S,3R,20R,24R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
(24S)-1α,24-dihydroxy-22-oxavitamin D3 / (24S)-1α,24-dihydroxy-22-oxacholecalciferol
(5Z,7E)-(1S,3R,20R,24S)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol
1α,25-dihydroxy-22-oxavitamin D3 / 1α,25-dihydroxy-22-oxacholecalciferol
1α,25-dihydroxy-22-oxa-20-epivitamin D3 / 1α,25-dihydroxy-22-oxa-20-epicholecalciferol
1β,25-dihydroxy-22-oxavitamin D3 / 1β,25-dihydroxy-22-oxacholecalciferol
1α,25-dihydroxy-23-oxavitamin D3 / 1α,25-dihydroxy-23-oxacholecalciferol
(5Z,7E)-(1S,3R,20S)-24-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol
(5Z,7E,10Z)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
(5Z,7E,10E)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
(5E,7E,10Z)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
(5E,7E,10E)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
25-fluoro-1α-hydroxyvitamin D3 / 25-fluoro-1α-hydroxycholecalciferol
(24R)-25-fluoro-24-hydroxyvitamin D3 / (24R)-25-fluoro-24-hydroxycholecalciferol
1α-fluoro-25-hydrovitamin D3 / 1α-fluoro-25-hydrocholecalciferol
24-fluoro-25-hydroxyvitamin D3 / 24-fluoro-25-hydroxycholecalciferol
1-methyl-1,25-dihydroxy-4-nor-2,3-secovitamin D3 / 1-methyl-1,25-dihydroxy-4-nor-2,3-secocholecalciferol
(7E)-(1R,2S,3R)-2-methyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol
(7E)-(1R,2R,3R)-2-methyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol
(7E)-(1R,2S,3R,20S)-2-methyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol
(7E)-(1R,2R,3R,20S)-2-methyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3
C27H31D6FO2 (418.31540646799994)
b-Citraurinene
bhas#28
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#28 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#28
An omega-hydroxy fatty acid ascaroside that is (3R)-3,16-dihydroxyhexadecanoic acid (oscr#28) in which the hydroxy group at position 16 has been converted to the corresponding ascaroside. It is a metabolite of the nematode Caenorhabditis elegans.
ST 27:1;O3
7α, 25-dihydroxycholesterol (7α,25-OHC) is a potent and selective agonist and endogenous ligand of the orphan GPCR receptor EBI2 (GPR183). 7α, 25-dihydroxycholesterol is highly potent at activating EBI2 (EC50=140 pM; Kd=450 pM). 7α, 25-dihydroxycholesterol can serve as a chemokine directing migration of B cells, T cells and dendritic cells[1][2].
1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3
1beta,25-dihydroxy-3-deoxy-3-thiavitamin D3
(5Z)-1,25-dihydroxy-3-thiavitamin D3
(24R)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24R)-1alpha,24-dihydroxy-22-oxacholecalciferol
(24R)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)-1alpha,24-dihydroxy-22-oxacholecalciferol
(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3
1alpha,25-dihydroxy-22-oxavitamin D3 / 1alpha,25-dihydroxy-22-oxacholecalciferol
1alpha,25-dihydroxy-22-oxa-20-epivitamin D3
1beta,25-dihydroxy-22-oxavitamin D3 / 1beta,25-dihydroxy-22-oxacholecalciferol
1alpha,25-dihydroxy-23-oxavitamin D3 / 1alpha,25-dihydroxy-23-oxacholecalciferol
(20S)-1alpha,20,25-trihydroxy-24-norvitamin D3
(5Z,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5Z,10Z)-19-fluoro-1alpha-hydroxycholecalciferol
(5Z,10E)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5Z,10E)-19-fluoro-1alpha-hydroxycholecalciferol
(5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5E,10Z)-19-fluoro-1alpha-hydroxycholecalciferol
(5E,10E)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5E,10E)-19-fluoro-1alpha-hydroxycholecalciferol
25-fluoro-1alpha-hydroxyvitamin D3
1alpha-fluoro-25-hydrovitamin D3
1alpha,25-dihydroxy-2alpha-methyl-19-norvitamin D3
1alpha,25-dihydroxy-2beta-methyl-19-norvitamin D3 / 1alpha,25-dihydroxy-2beta-methyl-19-norcholecalciferol
1alpha,25-dihydroxy-2alpha-methyl-19-nor-20-epivitamin D3
1alpha,25-dihydroxy-2beta-methyl-19-nor-20-epivitamin D3
3,3-(ureylenedimethylene)bis(3,5,5-trimethylcyclohexyl) diisocyanate
2-METHYLACRYLICACID-2-(4-BENZOYL-3-HYDROXYPHENOXY)ETHYLESTER
4-[(3,4-dimethylbenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bisheptanoate
Calderol
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D050071 - Bone Density Conservation Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
bis(3,3,5-trimethylhexyl) benzene-1,2-dicarboxylate
Maxacalcitol
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents D003879 - Dermatologic Agents
Bunamidine Hydrochloride
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(3R,15R)-15-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyhexadecanoic acid
(3R)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyhexadecanoic acid
seco-plakortolide L
A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradecyl group at position 5 and a methyl group at position 5 (the 4S,5S stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata.
1-{7-Cyclohexyl-6-[4-(4-Methylpiperazin-1-Yl)benzyl]-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl}methanamine
7-hydroperoxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
D009676 - Noxae > D009153 - Mutagens
(24S,25)-dihydroxycholesterol
An oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 25.
(24S,26)-dihydroxycholesterol
An oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 26.
4beta,7alpha-dihydroxycholesterol
An oxysterol that is cholesterol carrying two additional hydroxy groups at the 4beta and 7alpha positions.
(20S)-1alpha,20,25-trihydroxy-24-norvitamin D3/(20S)-1alpha,20,25-trihydroxy-24-norcholecalciferol
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-al
4beta,24S-dihydroxycholesterol
An oxysterol that is cholesterol which is substituted by hydroxy groups at positions 4beta and 24S.
[3-Carboxy-2-(13-carboxy-4-hydroxytridecanoyl)oxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[3-Carboxy-2-(13-carboxy-6-hydroxytridecanoyl)oxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[3-Carboxy-2-(13-carboxy-7-hydroxytridecanoyl)oxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[3-Carboxy-2-(13-carboxy-5-hydroxytridecanoyl)oxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[3-Carboxy-2-(13-carboxy-3-hydroxytridecanoyl)oxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
(24S)-7alpha,24-dihydroxy-5beta-cholestan-3-one
7alpha,24-Dihydroxy-5beta-cholestan-3-one with S configuration at C-24.
(24S,25S)-cholest-5-en-3beta,24,26-triol
An oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 27 and has S-configuration at position 25.
(3R,3aR,5bR,8S,9aR)-8,9a-dihydroxy-3a,5b-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,5a,6,7,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[a]fluorene-10-carbaldehyde
[1-hydroxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] propanoate
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] pentanoate
[3-carboxy-2-[(7E,9Z,11Z,13E,15E)-octadeca-7,9,11,13,15-pentaenoyl]oxypropyl]-trimethylazanium
C25H40NO4+ (418.2957180000001)
2-[(12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoyl]oxyacetic acid
[1-Carboxy-3-(3-dodecanoyloxy-2-hydroxypropoxy)propyl]-trimethylazanium
C22H44NO6+ (418.31684640000003)
[1-Carboxy-3-(2-octanoyloxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[3-(3-Butanoyloxy-2-heptanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[3-(3-Acetyloxy-2-nonanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
[1-Carboxy-3-(2-hexanoyloxy-3-pentanoyloxypropoxy)propyl]-trimethylazanium
C21H40NO7+ (418.28046300000005)
(20R,22R)-20,22-dihydroxycholesterol
An oxysterol that is cholesterol substituted by hydroxy groups at positions 20 and 22 (the 20R,22R-stereoisomer).
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
A 3-oxo-5beta-steroid that is 5beta-cholestan-3-one bearing two additional hydroxy substituents at positions 7alpha and 12alpha.
(25R)-7alpha,26-dihydroxycholesterol
A 7alpha,26-dihydroxycholesterol that has R configuration at position 25.
(25R)-4beta,26-dihydroxycholesterol
An oxysterol that is cholesterol which is substituted by hydroxy groups at 4beta and 26 positions and has R-configuration at position 25.
(20R)-17alpha,20-dihydroxycholesterol
An oxysterol that is cholesterol substituted by hydroxy groups at positions 17 and 20 (the 20R-stereoisomer).
N-icosanoyltaurine(1-)
C22H44NO4S (418.2990884000001)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-icosanoyltaurine; major species at pH 7.3.
(24R)-1alpha,24-dihydroxy-22-oxavitamin D3
A hydroxy seco-steroid that is calciol with C-22 replaced with an oxygen atom, and additional hydroxy groups at positions 1 and 24.
1-O-(2R-methoxy-4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenyl)-sn-glycerol
(24S)-7alpha,24-Dihydroxycholesterol
A 7alpha,24-dihydroxycholesterol in which has S configuration at position 24.
7alpha,26-Dihydroxycholesterol
An oxysterol that is cholesterol which is substituted by hydroxy groups at the 7alpha and 26 positions.
(16S,22S)-dihydroxycholesterol
A C27-steroid that is cholesterol carrying a hydroxy group at position 16S and 22S.
(7alpha,22R)-dihydroxycholesterol
An oxysterol that is cholesterol which is substituted by hydroxy groups at positions 7alpha and 22R.
DG(23:5)
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1-(2r)-2-ethylheptyl 2-(2s)-2-ethylheptyl phthalate
(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl hexadecanoate
(1r,3ar,3bs,5as,7s,9ar,9br,11ar)-9a,11a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3b,5a,7-triol
5a,7-dihydroxy-9a,11a-dimethyl-1-(6-methylheptan-2-yl)-dodecahydro-1h-cyclopenta[a]phenanthren-5-one
(4e,6e,8e,10e,12e,14e,16e,18e,20e)-2,6,10,14,19,23-hexamethyltetracosa-4,6,8,10,12,14,16,18,20,22-decaen-2-ol
methyl (5z,8e,10e,12r,14z)-12-[(3-methylbutanoyl)oxy]icosa-5,8,10,14-tetraenoate
(1s,2r,5s,7s,9r,10r,11s,12s,15r,16r)-2,16-dimethyl-15-[(2r)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecane-5,10-diol
1,3-dihydroxypropan-2-yl (3r,6s)-3,6-dihydroxyicosanoate
(1r,3r,5s,5as,7s,9ar,9br,11ar)-1-[(2r,3e,5r)-6-hydroxy-5-methylhex-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-3,5,7-triol
4-hydroxy-2-tridecyl-1,7-dioxadispiro[5.1.5⁸.2⁶]pentadeca-9,12-dien-11-one
n-({[(2r,4ar,7s,8as,10as)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthren-2-yl]oxy}(hydroxy)methylidene)-2-hydroxyethanecarbamimidic acid
(2e,4e,6e,8e,10e,12e,14e,16e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaen-1-ol
[(3s,4s,6r)-6-[(2r,6s)-2,6-dimethyl-10-phenyldecyl]-4,6-dimethyl-1,2-dioxan-3-yl]acetic acid
(1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]cyclohex-3-en-1-ol
(1r,3as,3bs,5r,5ar,7r,9as,11ar)-1-[(2r,4s)-4-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthrene-5,7-diol
aculeatin d
{"Ingredient_id": "HBIN014646","Ingredient_name": "aculeatin d","Alias": "NA","Ingredient_formula": "C26H42O4","Ingredient_Smile": "CCCCCCCCCCCCCC1CC(CC2(O1)CCC3(O2)C=CC(=O)C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "589","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}