Exact Mass: 499.3059478
Exact Mass Matches: 499.3059478
Found 435 metabolites which its exact mass value is equals to given mass value 499.3059478,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Taurochenodesoxycholic acid
C26H45NO6S (499.29674300000005)
Taurochenodesoxycholic acid is a bile acid formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. 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). Taurochenodesoxycholic acid has been found to be a microbial metabolite. Taurochenodesoxycholic acid is a bile acid formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. 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] Taurochenodeoxycholic acid is a bile acid taurine conjugate of chenodeoxycholic acid. It has a role as a mouse metabolite and a human metabolite. It is functionally related to a chenodeoxycholic acid. It is a conjugate acid of a taurochenodeoxycholate. Taurochenodeoxycholic acid is an experimental drug that is normally produced in the liver. Its physiologic function is to emulsify lipids such as cholesterol in the bile. As a medication, taurochenodeoxycholic acid reduces cholesterol formation in the liver, and is likely used as a choleretic to increase the volume of bile secretion from the liver and as a cholagogue to increase bile discharge into the duodenum. It is also being investigated for its role in inflammation and cancer therapy. Taurochenodeoxycholic acid is a natural product found in Trypanosoma brucei and Homo sapiens with data available. A bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic. Taurochenodeoxycholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=516-35-8 (retrieved 2024-07-01) (CAS RN: 516-35-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Taurochenodeoxycholic acid (12-Deoxycholyltaurine) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2].
Aconine
A diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species. Aconine is a diterpene alkaloid with formula C25H41NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite, a NF-kappaB inhibitor and a xenobiotic. It is a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound, a pentol, a secondary alcohol and a tertiary alcohol. It derives from a hydride of an aconitane. Jesaconine is a natural product found in Euglena gracilis, Aconitum, and Aconitum pendulum with data available. Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation. Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.
Taurodeoxycholic acid
C26H45NO6S (499.29674300000005)
Taurodeoxycholic acid is a bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. 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). Taurodeoxycholic acid can be found in Escherichia (PMID:30736766). Taurodeoxycholic acid is a bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. 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] D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4]. Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4].
tauroursodeoxycholate
C26H45NO6S (499.29674300000005)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 62 Same as: D11836 Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK. Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK.
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid is a bile acid also known as TUDCA formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. TUDCA is able to prevent apoptosis and protect mitochondria from cellular elements that would otherwise interfere with energy production. One of these elements is a protein called Bax. TUDCA plays an important role in preventing Bax from being transported to the mitochondria. 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] Tauroursodeoxycholic acid is a bile acid also known as TUDCA formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. TUDCA is able to prevent apoptosis and protect mitochondria from cellular elements that would otherwise interfere with energy production. One of these elements is a protein called Bax. TUDCA plays an important role in preventing Bax from being transported to the mitochondria. 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). D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Taurochenodeoxycholic acid (12-Deoxycholyltaurine) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2]. Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK. Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK.
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))
C25H42NO7P (499.26987520000006)
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms. [HMDB] LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms.
LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
C25H42NO7P (499.26987520000006)
LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms. [HMDB] LysoPE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms.
7-[(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoylcarnitine
C27H49NO7 (499.35088440000004)
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoylcarnitine is an acylcarnitine. More specifically, it is an 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(5E)-7-[3,5-Dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoylcarnitine
C27H49NO7 (499.35088440000004)
(5E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoylcarnitine is an acylcarnitine. More specifically, it is an (5E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (5E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(4Z,7Z,10E,12E,16Z)-18-(3-Ethylcycloprop-1-en-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoylcarnitine
C30H45NO5 (499.32975600000003)
(4Z,7Z,10E,12E,16Z)-18-(3-Ethylcycloprop-1-en-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoylcarnitine is an acylcarnitine. More specifically, it is an (4Z,7Z,10E,12E,16Z)-18-(3-ethylcycloprop-1-en-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (4Z,7Z,10E,12E,16Z)-18-(3-Ethylcycloprop-1-en-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoylcarnitine is therefore classified as a very-long chain AC. As a very long-chain acylcarnitine (4Z,7Z,10E,12E,16Z)-18-(3-Ethylcycloprop-1-en-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoylcarnitine is generally formed in the cytoplasm from very long acyl groups synthesized by fatty acid synthases or obtained from the diet. Very-long-chain fatty acids are generally too long to be involved in mitochondrial beta-oxidation. As a result peroxisomes are the main organelle where very-long-chain fatty acids are metabolized and their acylcarnitines synthesized (PMID: 18793625). Altered levels of very long-chain acylcarnitines can serve as useful markers for inherited disorders of peroxisomal metabolism. The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Chenodeoxycholyltaurine
C26H45NO6S (499.29674300000005)
Aconine
Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation. Aconine inhibits receptor activator of nuclear factor (NF)-κB ligand (RANKL)-induced NF-κB activation.
Osimertinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Beloranib
C29H41NO6 (499.29337260000005)
Rebimastat
C23H41N5O5S (499.2828256000001)
L-Alaninamide,N-[2-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-1-oxopentyl]-3-(2-naphthalenyl)-L-alanyl-N-(2-aminoethyl)-
C26H37N5O5 (499.27945520000003)
1H-Benzimidazole-2-carboxamide, 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-((3S,5R)-5-(4-morpholinylcarbonyl)-3-piperidinyl)-
C27H41N5O4 (499.31583860000006)
(S)-N-((S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-2-((S)-2-mercapto-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamido)-N,4-dimethylpentanamide
C23H41N5O5S (499.2828256000001)
Taurochenodeoxycholate
C26H45NO6S (499.29674300000005)
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Taurochenodeoxycholic acid (12-Deoxycholyltaurine) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2].
taurodeoxycholic acid
C26H45NO6S (499.29674300000005)
Tauroursodeoxycholic_acid
C26H45NO6S (499.29674300000005)
Tauroursodeoxycholic acid is a bile acid taurine conjugate derived from ursoodeoxycholic acid. It has a role as a human metabolite, an anti-inflammatory agent, a neuroprotective agent, an apoptosis inhibitor, a cardioprotective agent and a bone density conservation agent. It is functionally related to an ursodeoxycholic acid. It is a conjugate acid of a tauroursodeoxycholate. Tauroursodeoxycholic acid, also known as ursodoxicoltaurine, is a highly hydrophilic tertiary bile acid that is produced in humans at a low concentration. It is a taurine conjugate of [ursodeoxycholic acid] with comparable therapeutic efficacy and safety, but a much higher hydrophilicity. Normally, hydrophilic bile acids regulates hydrophobic bile acids and their cytotoxic effects. Tauroursodeoxycholic acid can reduce the absorption of cholesterol in the small intestine, thereby reducing the bodys intake of dietary cholesterol and the body cholesterol content. Tauroursodeoxycholic acid is currently used in Europe to treat and prevent gallstones as a bile acid derivative. Due to a range of its molecular properties - namely its anti-apoptotic effects - tauroursodeoxycholic acid has been examined in inflammatory metabolic diseases and neurodegenerative diseases. Tauroursodeoxycholic acid is a natural product found in Homo sapiens with data available. C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts A bile acid taurine conjugate derived from ursoodeoxycholic acid. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Same as: D11836 Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK. Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK.
Tauroursodeoxycholic acid
C26H45NO6S (499.29674300000005)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK. Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK.
Phosphatidylethanolamine lyso 20:5
C25H42NO7P (499.26987520000006)
2-[5,7-dihydroxy-3-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-isoindol-2-yl]pentanedioic acid
taurodeoxycholic acid
C26H45NO6S (499.29674300000005)
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents A bile acid taurine conjugate of deoxycholic acid. Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4]. Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4].
Taurodeoxycholate
C26H45NO6S (499.29674300000005)
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents CONFIDENCE standard compound; INTERNAL_ID 60 Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4]. Taurodeoxycholic acid, a bile acid, stabilizes the mitochondrial membrane, decreases free radical formation. Taurodeoxycholic acid inhibits apoptosis by blocking a calcium-mediated apoptotic pathway as well as caspase-12 activation. Taurodeoxycholic acid exhibits neuroprotective effect in 3-nitropropionic acid induced mouse model or genetic mouse model of Huntington's disease (HD)[1][2][3][4].
Tauro 3a,7a-(OH)2-5b-cholanic acid
C26H45NO6S (499.29674300000005)
BA-135-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-135-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-135-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
2-{[(3alpha,5beta,7beta)-3,7-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
C26H45NO6S (499.29674300000005)
BA-136-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-136-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-136-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-136-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-136-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
Tauro 3a,12a-(OH)2-5b-cholanic acid
C26H45NO6S (499.29674300000005)
BA-137-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-137-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-137-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-137-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-137-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
Taurochenodeoxycholic acid
C26H45NO6S (499.29674300000005)
Taurochenodeoxycholic acid (12-Deoxycholyltaurine) is one of the main bioactive substances of animals' bile acid. Taurochenodeoxycholic acid induces apoptosis and shows obvious anti-inflammatory and immune regulation properties[1][2].
2-((2R,4R)-2-hydroxy-4-((3R,5R,8R,9S,10S,13R,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((4R)-4-((5S,9S,10S,12R,13R,14S,17R)-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((4R)-4-((3R,5S,7R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((4R)-4-((3R,5R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((4R)-4-((3R,5R,6S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((4R)-4-((3R,5R,6R,8S,9S,10R,13R,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
Taurohyodeoxycholic acid
C26H45NO6S (499.29674300000005)
Taurohyodeoxycholic acid is a bile acid taurine conjugate. It is a conjugate acid of a taurohyodeoxycholate(1-). Taurohyodeoxycholic acid is the tauroconjugated form of Hyodeoxycholic acid (HDCA, a dihydroxylated natural bile acid). Taurohyodeoxycholic acid induces a biliary phospholipid secretion and suggests a hepatoprotective potential. Taurohyodeoxycholic acid also can promote gallstone dissolution[1][1].
Cys His Ile Lys
C21H37N7O5S (499.25767520000005)
Cys His Lys Ile
C21H37N7O5S (499.25767520000005)
Cys His Lys Leu
C21H37N7O5S (499.25767520000005)
Cys His Leu Lys
C21H37N7O5S (499.25767520000005)
Cys Ile His Lys
C21H37N7O5S (499.25767520000005)
Cys Ile Lys His
C21H37N7O5S (499.25767520000005)
Cys Lys His Ile
C21H37N7O5S (499.25767520000005)
Cys Lys His Leu
C21H37N7O5S (499.25767520000005)
Cys Lys Ile His
C21H37N7O5S (499.25767520000005)
Cys Lys Leu His
C21H37N7O5S (499.25767520000005)
Cys Leu His Lys
C21H37N7O5S (499.25767520000005)
Cys Leu Lys His
C21H37N7O5S (499.25767520000005)
Asp Ile Pro Arg
Asp Ile Arg Pro
Asp Leu Pro Arg
Asp Leu Arg Pro
Asp Pro Ile Arg
Asp Pro Leu Arg
Asp Pro Arg Ile
Asp Pro Arg Leu
Asp Arg Ile Pro
Asp Arg Leu Pro
Asp Arg Pro Ile
Asp Arg Pro Leu
Glu Pro Arg Val
Glu Pro Val Arg
Glu Arg Pro Val
Glu Arg Val Pro
Glu Val Pro Arg
Glu Val Arg Pro
His Cys Ile Lys
C21H37N7O5S (499.25767520000005)
His Cys Lys Ile
C21H37N7O5S (499.25767520000005)
His Cys Lys Leu
C21H37N7O5S (499.25767520000005)
His Cys Leu Lys
C21H37N7O5S (499.25767520000005)
His Ile Cys Lys
C21H37N7O5S (499.25767520000005)
His Ile Lys Cys
C21H37N7O5S (499.25767520000005)
His Lys Cys Ile
C21H37N7O5S (499.25767520000005)
His Lys Cys Leu
C21H37N7O5S (499.25767520000005)
His Lys Ile Cys
C21H37N7O5S (499.25767520000005)
His Lys Leu Cys
C21H37N7O5S (499.25767520000005)
His Leu Cys Lys
C21H37N7O5S (499.25767520000005)
His Leu Lys Cys
C21H37N7O5S (499.25767520000005)
Ile Cys His Lys
C21H37N7O5S (499.25767520000005)
Ile Cys Lys His
C21H37N7O5S (499.25767520000005)
Ile Asp Pro Arg
Ile Asp Arg Pro
Ile His Cys Lys
C21H37N7O5S (499.25767520000005)
Ile His Lys Cys
C21H37N7O5S (499.25767520000005)
Ile Ile Arg Val
Ile Ile Val Arg
Ile Lys Cys His
C21H37N7O5S (499.25767520000005)
Ile Lys His Cys
C21H37N7O5S (499.25767520000005)
Ile Leu Arg Val
Ile Leu Val Arg
Ile Pro Asp Arg
Ile Pro Arg Asp
Ile Arg Asp Pro
Ile Arg Ile Val
Ile Arg Leu Val
Ile Arg Pro Asp
Ile Arg Val Ile
Ile Arg Val Leu
Ile Val Ile Arg
Ile Val Leu Arg
Ile Val Arg Ile
Ile Val Arg Leu
Lys Cys His Ile
C21H37N7O5S (499.25767520000005)
Lys Cys His Leu
C21H37N7O5S (499.25767520000005)
Lys Cys Ile His
C21H37N7O5S (499.25767520000005)
Lys Cys Leu His
C21H37N7O5S (499.25767520000005)
Lys His Cys Ile
C21H37N7O5S (499.25767520000005)
Lys His Cys Leu
C21H37N7O5S (499.25767520000005)
Lys His Ile Cys
C21H37N7O5S (499.25767520000005)
Lys His Leu Cys
C21H37N7O5S (499.25767520000005)
Lys Ile Cys His
C21H37N7O5S (499.25767520000005)
Lys Ile His Cys
C21H37N7O5S (499.25767520000005)
Lys Lys Lys Pro
Lys Lys Pro Lys
Lys Lys Pro Gln
C22H41N7O6 (499.31181660000004)
Lys Lys Gln Pro
C22H41N7O6 (499.31181660000004)
Lys Leu Cys His
C21H37N7O5S (499.25767520000005)
Lys Leu His Cys
C21H37N7O5S (499.25767520000005)
Lys Pro Lys Lys
Lys Pro Lys Gln
C22H41N7O6 (499.31181660000004)
Lys Pro Gln Lys
C22H41N7O6 (499.31181660000004)
Lys Pro Gln Gln
Lys Gln Lys Pro
C22H41N7O6 (499.31181660000004)
Lys Gln Pro Lys
C22H41N7O6 (499.31181660000004)
Lys Gln Pro Gln
Lys Gln Gln Pro
Leu Cys His Lys
C21H37N7O5S (499.25767520000005)
Leu Cys Lys His
C21H37N7O5S (499.25767520000005)
Leu Asp Pro Arg
Leu Asp Arg Pro
Leu His Cys Lys
C21H37N7O5S (499.25767520000005)
Leu His Lys Cys
C21H37N7O5S (499.25767520000005)
Leu Ile Arg Val
Leu Ile Val Arg
Leu Lys Cys His
C21H37N7O5S (499.25767520000005)
Leu Lys His Cys
C21H37N7O5S (499.25767520000005)
Leu Leu Arg Val
Leu Leu Val Arg
Leu Pro Asp Arg
Leu Pro Arg Asp
Leu Arg Asp Pro
Leu Arg Ile Val
Leu Arg Leu Val
Leu Arg Pro Asp
Leu Arg Val Ile
Leu Arg Val Leu
Leu Val Ile Arg
Leu Val Leu Arg
Leu Val Arg Ile
Leu Val Arg Leu
Met Pro Pro Arg
C21H37N7O5S (499.25767520000005)
Met Pro Arg Pro
C21H37N7O5S (499.25767520000005)
Met Arg Pro Pro
C21H37N7O5S (499.25767520000005)
Pro Asp Ile Arg
Pro Asp Leu Arg
Pro Asp Arg Ile
Pro Asp Arg Leu
Pro Glu Arg Val
Pro Glu Val Arg
Pro Ile Asp Arg
Pro Ile Arg Asp
Pro Lys Lys Lys
Pro Lys Lys Gln
C22H41N7O6 (499.31181660000004)
Pro Lys Gln Lys
C22H41N7O6 (499.31181660000004)
Pro Lys Gln Gln
Pro Leu Asp Arg
Pro Leu Arg Asp
Pro Met Pro Arg
C21H37N7O5S (499.25767520000005)
Pro Met Arg Pro
C21H37N7O5S (499.25767520000005)
Pro Pro Met Arg
C21H37N7O5S (499.25767520000005)
Pro Pro Arg Met
C21H37N7O5S (499.25767520000005)
Pro Gln Lys Lys
C22H41N7O6 (499.31181660000004)
Pro Gln Lys Gln
Pro Gln Gln Lys
Pro Arg Asp Ile
Pro Arg Asp Leu
Pro Arg Glu Val
Pro Arg Ile Asp
Pro Arg Leu Asp
Pro Arg Met Pro
C21H37N7O5S (499.25767520000005)
Pro Arg Pro Met
C21H37N7O5S (499.25767520000005)
Pro Arg Val Glu
Pro Val Glu Arg
Pro Val Arg Glu
Pro Val Val Trp
C26H37N5O5 (499.27945520000003)
Pro Val Trp Val
C26H37N5O5 (499.27945520000003)
Pro Trp Val Val
C26H37N5O5 (499.27945520000003)
Gln Lys Lys Pro
C22H41N7O6 (499.31181660000004)
Gln Lys Pro Lys
C22H41N7O6 (499.31181660000004)
Gln Lys Pro Gln
Gln Lys Gln Pro
Gln Pro Lys Lys
C22H41N7O6 (499.31181660000004)
Gln Pro Lys Gln
Gln Pro Gln Lys
Gln Gln Lys Pro
Gln Gln Pro Lys
Arg Asp Ile Pro
Arg Asp Leu Pro
Arg Asp Pro Ile
Arg Asp Pro Leu
Arg Glu Pro Val
Arg Glu Val Pro
Arg Ile Asp Pro
Arg Ile Ile Val
Arg Ile Leu Val
Arg Ile Pro Asp
Arg Ile Val Ile
Arg Ile Val Leu
Arg Leu Asp Pro
Arg Leu Ile Val
Arg Leu Leu Val
Arg Leu Pro Asp
Arg Leu Val Ile
Arg Leu Val Leu
Arg Met Pro Pro
C21H37N7O5S (499.25767520000005)
Arg Pro Asp Ile
Arg Pro Asp Leu
Arg Pro Glu Val
Arg Pro Ile Asp
Arg Pro Leu Asp
Arg Pro Met Pro
C21H37N7O5S (499.25767520000005)
Arg Pro Pro Met
C21H37N7O5S (499.25767520000005)
Arg Pro Val Glu
Arg Val Glu Pro
Arg Val Ile Ile
Arg Val Ile Leu
Arg Val Leu Ile
Arg Val Leu Leu
Arg Val Pro Glu
Val Glu Pro Arg
Val Glu Arg Pro
Val Ile Ile Arg
Val Ile Leu Arg
Val Ile Arg Ile
Val Ile Arg Leu
Val Leu Ile Arg
Val Leu Leu Arg
Val Leu Arg Ile
Val Leu Arg Leu
Val Pro Glu Arg
Val Pro Arg Glu
Val Pro Val Trp
C26H37N5O5 (499.27945520000003)
Val Pro Trp Val
C26H37N5O5 (499.27945520000003)
Val Arg Glu Pro
Val Arg Ile Ile
Val Arg Ile Leu
Val Arg Leu Ile
Val Arg Leu Leu
Val Arg Pro Glu
Val Val Pro Trp
C26H37N5O5 (499.27945520000003)
Val Val Trp Pro
C26H37N5O5 (499.27945520000003)
Val Trp Pro Val
C26H37N5O5 (499.27945520000003)
Val Trp Val Pro
C26H37N5O5 (499.27945520000003)
Trp Pro Val Val
C26H37N5O5 (499.27945520000003)
Trp Val Pro Val
C26H37N5O5 (499.27945520000003)
Trp Val Val Pro
C26H37N5O5 (499.27945520000003)
5β-CHOLANIC ACID-3α, 12α-DIOL N-(2-SULPHOETHYL)-AMIDE
C26H45NO6S (499.29674300000005)
LPE(20:5)
C25H42NO7P (499.26987520000006)
PE(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
C25H42NO7P (499.26987520000006)
LPE 20:5
C25H42NO7P (499.26987520000006)
(3R,4R,5S)-BENZYL 3-HYDROXY-4-(4-HYDROXYPHENYL)-5-((TRIISOPROPYLSILYL)OXY)PIPERIDINE-1-CARBOXYLATE
C28H41NO5Si (499.27538560000005)
Carebastine
C32H37NO4 (499.27224420000005)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents Carebastine is the active metabolite of Ebastine. Carebastine is a histamine H1 receptor antagonist. Carebastine inhibits VEGF-induced HUVEC and HPAEC proliferation, migration and angiogenesis in a dose-dependent manner[1]. Carebastine suppresses the expression of macrophage migration inhibitory factor[2].
tert-butyl 4-((S)-4-((R)-2-Methoxy-1-(4-(trifluoromethyl)phenyl)ethyl)-3-Methylpiperazin-1-yl)-4-Methylpiperidine-1-carboxylate
C26H40F3N3O3 (499.3021606000001)
5-[(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-2,2,5-trimethyl-1,3-dioxane-4,6-dione
C24H45NO6Si2 (499.27852700000005)
Beloranib
C29H41NO6 (499.29337260000005)
D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors
Rebimastat
C23H41N5O5S (499.2828256000001)
C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C1970 - Matrix Metalloproteinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Onalespib lactate
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor
2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
C26H45NO6S (499.29674300000005)
1H-Benzimidazole-2-carboxamide, 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-((3S,5R)-5-(4-morpholinylcarbonyl)-3-piperidinyl)-
C27H41N5O4 (499.31583860000006)
7-[(1R,2R,3R)-3-Hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoylcarnitine
C27H49NO7 (499.35088440000004)
(S)-N-((S)-1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-2-((S)-2-mercapto-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanamido)-N,4-dimethylpentanamide
C23H41N5O5S (499.2828256000001)
(5E)-7-[3,5-Dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoylcarnitine
C27H49NO7 (499.35088440000004)
(4Z,7Z,10E,12E,16Z)-18-(3-Ethylcycloprop-1-en-1-yl)-14-hydroxyoctadeca-4,7,10,12,16-pentaenoylcarnitine
C30H45NO5 (499.32975600000003)
[5-methoxy-4-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
C29H41NO6 (499.29337260000005)
6-[[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline
3-[(1-cyclopentyl-5-tetrazolyl)-[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-7-methyl-1H-quinolin-2-one
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
C25H36F3N3O4 (499.26577720000006)
N-[(5S,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
C29H45N3O4 (499.34098900000004)
N-[(5R,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
C29H45N3O4 (499.34098900000004)
N-[(5S,6S,9S)-8-(2-cyclopropylacetyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5R,6S,9R)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5S,6S,9R)-8-(2-cyclopropylacetyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
C25H36F3N3O4 (499.26577720000006)
N-[(5S,6R,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5R,6R,9R)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5R,6R,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
C29H45N3O4 (499.34098900000004)
N-[(5S,6S,9S)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
C29H45N3O4 (499.34098900000004)
N-[(5S,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
C29H45N3O4 (499.34098900000004)
N-[(5R,6S,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5S,6S,9S)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(4S,7R,8R)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7S,8S)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7R,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7R,8R)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7S,8R)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
2-[[(4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
C26H45NO6S (499.29674300000005)
N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
C24H41N3O6S (499.2715926000001)
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
C25H36F3N3O4 (499.26577720000006)
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
C25H36F3N3O4 (499.26577720000006)
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
C25H36F3N3O4 (499.26577720000006)
N-[(5R,6S,9S)-8-[(4-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(5S,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5R,6R,9S)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5R,6R,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide
C29H45N3O4 (499.34098900000004)
N-[(5R,6R,9R)-8-(2-cyclopropyl-1-oxoethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopentanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5R,6R,9R)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5R,6S,9R)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(5S,6R,9S)-8-[cyclohexyl(oxo)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H41N3O5 (499.30460560000006)
N-[(4R,7R,8S)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8S)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7R,8R)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8R)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7S,8R)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7R,8S)-5-[(3-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7R,8R)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7S,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8R)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7R,8S)-5-[(2-fluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-(cyclopropylmethyl)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Taurochenodeoxycholic-[2,2,4,4-d4] Acid
C26H45NO6S (499.29674300000005)
Mupirocin(1-)
A monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3.
2-[5,7-dihydroxy-3-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-isoindol-2-yl]pentanedioic acid
[2-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
C26H46NO6P (499.30625860000004)
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
C25H42NO7P (499.26987520000006)
(4E,8E,12E)-3-hydroxy-2-[[(Z)-2-hydroxydodec-5-enoyl]amino]tetradeca-4,8,12-triene-1-sulfonic acid
C26H45NO6S (499.29674300000005)
(4E,8E,12E)-3-hydroxy-2-(undecanoylamino)hexadeca-4,8,12-triene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(E)-2-[[(9Z,12Z)-heptadeca-9,12-dienoyl]amino]-3-hydroxydec-4-ene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(E)-2-[[(9Z,12Z)-hexadeca-9,12-dienoyl]amino]-3-hydroxyundec-4-ene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(4E,8E,12E)-2-(dodecanoylamino)-3-hydroxypentadeca-4,8,12-triene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(4E,8E)-3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]tetradeca-4,8-diene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(4E,8E)-3-hydroxy-2-[[(Z)-pentadec-9-enoyl]amino]dodeca-4,8-diene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(4E,8E,12E)-2-(decanoylamino)-3-hydroxyheptadeca-4,8,12-triene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(4E,8E)-3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]trideca-4,8-diene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
(4E,8E,12E)-3-hydroxy-2-(tridecanoylamino)tetradeca-4,8,12-triene-1-sulfonic acid
C27H49NO5S (499.3331264000001)
2-[[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]amino]-3-hydroxyundecane-1-sulfonic acid
C27H49NO5S (499.3331264000001)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] acetate
C25H42NO7P (499.26987520000006)
4-[3-butanoyloxy-2-[(Z)-tridec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate
C27H49NO7 (499.35088440000004)
4-[3-propanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate
C27H49NO7 (499.35088440000004)
4-[3-acetyloxy-2-[(Z)-pentadec-9-enoyl]oxypropoxy]-2-(trimethylazaniumyl)butanoate
C27H49NO7 (499.35088440000004)
2-((R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-((2R,4R)-2-hydroxy-4-((3R,5R,8R,9S,10S,13R,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
C26H45NO6S (499.29674300000005)
2-[4-[(3R,5R,8R,9S,12S,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
C26H45NO6S (499.29674300000005)
2-[4-[(3R,5S,7R,8R,9S,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
C26H45NO6S (499.29674300000005)
2-[4-[(3R,5R,6S,8S,9S,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
C26H45NO6S (499.29674300000005)
lysoPE (20:5/0:0)
2-[[(4R)-4-[(3R,5R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
C26H45NO6S (499.29674300000005)
AZD-9291
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))
C25H42NO7P (499.26987520000006)
1-(2-methoxy-pentadecanyl)-sn-glycero-3-phosphoserine
1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoserine
PE(20:5)
C25H42NO7P (499.26987520000006)
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Tauroursodeoxycholic acid
C26H45NO6S (499.29674300000005)
Tauroursodeoxycholic acid, also known as ursodoxicoltaurine, is a highly hydrophilic tertiary bile acid that is produced in humans at a low concentration. It is a taurine conjugate of [ursodeoxycholic acid] with comparable therapeutic efficacy and safety, but a much higher hydrophilicity. Normally, hydrophilic bile acids regulates hydrophobic bile acids and their cytotoxic effects. Tauroursodeoxycholic acid can reduce the absorption of cholesterol in the small intestine, thereby reducing the body's intake of dietary cholesterol and the body cholesterol content. Tauroursodeoxycholic acid is currently used in Europe to treat and prevent gallstones as a bile acid derivative. Due to a range of its molecular properties - namely its anti-apoptotic effects - tauroursodeoxycholic acid has been examined in inflammatory metabolic diseases and neurodegenerative diseases. Ursodoxicoltaurine is the international nonproprietary name (INN) for the pharmaceutical form of tauroursodeoxycholic acid (TUDCA). It is also known as taurursodiol. Tauroursodeoxycholic acid is a naturally occurring hydrophilic bile acid which is the taurine conjugated form of ursodeoxycholic acid (UDCA). Humans have only trace amounts of tauroursodeoxycholic acid but bears have large amounts of tauroursodeoxycholic acid and ursodeoxycholic acid in their bile.[1] Synthesis Bile acids are naturally synthesized from cholesterol in the liver and are conjugated with specific amino-acids, specifically taurine. Bear bile contains several bile acids including taurochenodeoxycholic acid, ursodeoxycholic acid, and chenodeoxycholic acid.[2] UDCA and its taurine conjugates comprise about 47\\\\% of the bile in American black bears and up to 76\\\\% in Asiatic bears.[1][3] Ursodeoxycholic acid and tauroursodeoxycholic acid were first chemically synthesized in 1954 in Japan.[1] Ursodeoxycholic acid is produced in several countries for the treatment of gallstones and primary biliary cholangitis.[4] Cellular mechanisms Apoptosis is largely influenced by the mitochondria. If the mitochondria are distressed, they release cytochrome C (cyC) and calcium which activate caspases to propagate a cascade of cellular mechanisms to cause apoptosis. Tauroursodeoxycholic acid prevents apoptosis with its role in the BAX pathway.[7] Tauroursodeoxycholic acid prevents BAX from being transported to the mitochondria which protects the mitochondria from perturbation and the activation of caspases.[8] Many effects of tauroursodeoxycholic acid appear to be dependent on the activation of the cell membrane receptors TGR5, S1PR2 and α5β1-Integrin.[8] Tauroursodeoxycholic acid also acts as a chemical chaperone to help maintain the stability and correct folding of proteins. Tauroursodeoxycholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=14605-22-2 (retrieved 2024-06-29) (CAS RN: 14605-22-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK. Tauroursodeoxycholate (Tauroursodeoxycholic acid) is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK.
(4r)-4-[(1r,3as,3br,4r,5as,7r,9as,9bs,11ar)-4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-n-(2-sulfoethyl)pentanimidic acid
C26H45NO6S (499.29674300000005)
(1s,10s,11s,12s,13s,14r,15s)-14-(acetyloxy)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-12-yl 3-(4-hydroxy-3-methoxyphenyl)propanoate
aconine
{"Ingredient_id": "HBIN014572","Ingredient_name": "aconine","Alias": "MFCD09039102; Ambap20562-03-2; alpha-Chaconine; CHEMBL2288884; ZINC245190581; alpha-Chaconine with HPLC; aconine ; (3b)-Solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1-2)-O-(6-deoxy-a-L-mannopyranosyl-(1-4))-b-D-glucopyranoside; a-Chaconine; AC-20170; b-D-Glucopyranoside, (3b)-solanid-5-en-3-yl O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[6-deoxy-a-L-mannopyranosyl-(1?4)]-; BC216164; AKOS015965211; 20562-03-2","Ingredient_formula": "C25H41NO9","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6O)(C(C5O)OC)O)O)OC)OC)O)COC","Ingredient_weight": "499.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18380","TCMID_id": "23512","TCMSP_id": "NA","TCM_ID_id": "7198;19282","PubChem_id": "137706549","DrugBank_id": "NA"}
methyl 5-[(2r,2'r,4'as,6'r,8'as)-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl]pentanoate
C29H41NO6 (499.29337260000005)
(2s,3s)-2-[(2s,3s)-2-(4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-3h,4h,9h-pyrano[2,3-e]isoindol-8-yl]-3-methylpentanoic acid
C29H41NO6 (499.29337260000005)
methyl 5-{4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,6',7',8,8'-octahydro-2'h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl}pentanoate
C29H41NO6 (499.29337260000005)
(6s,7r,9s,10s,14r)-3-hydroxy-4,6,7-trimethyl-13-[(8e)-2-methyl-3-oxodec-8-enoyl]-8,15-dioxa-13-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),2,4-triene-2-carboxylic acid
(1s,5r,6s,7s,8r,9r,10r,13r,14r,16s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol
(6s,7r,9s,10s,14r)-3-hydroxy-4,6,7-trimethyl-13-[(2r,8e)-2-methyl-3-oxodec-8-enoyl]-8,15-dioxa-13-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),2,4-triene-2-carboxylic acid
(1s,2r,3as,5r,7s,7ar)-2-[(2e)-but-2-enoyl]-2-hydroxy-1-{1-hydroxy-6-methyl-3-oxo-7-pentyl-6h-pyrano[3,4-c]pyrrol-4-yl}-7-methyl-octahydroindene-5-carboxylic acid
3-hydroxy-4,6,7-trimethyl-13-(2-methyl-3-oxodec-8-enoyl)-8,15-dioxa-13-azatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁴]hexadeca-1(16),2,4-triene-2-carboxylic acid
(2r,3r,5r,8r,10r,17s)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-4,5,7,8,14-pentol
(4r)-4-[(1r,3as,3br,5ar,7r,9as,9bs,11s,11ar)-7,11-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-n-(2-sulfoethyl)pentanimidic acid
C26H45NO6S (499.29674300000005)
4-[(1r,3as,3br,5ar,7r,9as,9bs,11s,11ar)-7,11-dihydroxy-9a,11a-dimethyl-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-n-(2-sulfoethyl)pentanimidic acid
C26H45NO6S (499.29674300000005)
2-{2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3h,4h,9h-pyrano[2,3-e]isoindol-8-yl}-4-methylpentanoic acid
C29H41NO6 (499.29337260000005)
(2r)-2-{2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-3,5-dihydroxy-2-methyl-7-oxo-3h,4h,9h-pyrano[2,3-e]isoindol-8-yl}-4-methylpentanoic acid
C29H41NO6 (499.29337260000005)