Exact Mass: 376.2742
Exact Mass Matches: 376.2742
Found 500 metabolites which its exact mass value is equals to given mass value 376.2742,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lithocholic acid
Lithocholic acid, also known as 3alpha-hydroxy-5beta-cholan-24-oic acid or LCA, is a secondary bile acid. It is formed from chenodeoxycholate by bacterial action and is usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute and depends 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). When present in sufficiently high levels, lithocholic acid can act as an oncometabolite. An oncometabolite is a compound that when present at chronically high levels promotes tumour growth and survival. Chronically high levels of lithocholic acid are associated with several forms of cancer including colon cancer, pancreatic cancer, esophageal cancer, and many other GI cancers. High bile acid levels lead to the generation of reactive oxygen species and reactive nitrogen species, disruption of the cell membrane and mitochondria, induction of DNA damage, mutation and apoptosis, and the development of reduced apoptosis capability upon chronic exposure (PMID: 24884764). Dietary fibre can bind to lithocholic acid and aid in its excretion in stool. As such, fibre can protect against colon cancer. CONFIDENCE standard compound; INTERNAL_ID 1308; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5396; ORIGINAL_PRECURSOR_SCAN_NO 5394 CONFIDENCE standard compound; INTERNAL_ID 1308; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5371; ORIGINAL_PRECURSOR_SCAN_NO 5368 CONFIDENCE standard compound; INTERNAL_ID 1308; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5386; ORIGINAL_PRECURSOR_SCAN_NO 5384 A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. [Analytical] Sample of 1 micorL methanol solution was flow injected. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis.
Resolvin D1
Resolvin D1 (RvD1) is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225).
Resolvin D2
Resolvin D2 is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225) [HMDB] Resolvin D2 is an autacoid resolvin. Autacoids are chemical mediators including the families of resolvins and protectins, defined by their potent bioactions and novel chemical structures. The bioactive local mediators, or autacoids, that require enzymatic generation from the omega-3 essential fatty acid EPA were first identified in resolving inflammatory exudates in vivo and carry potent stereoselective biological actions. Resolvins of the E (RvE) series are derived from eicosapentaenoic acid (EPA). Those derived from docosahexaenoic acid (DHA) were termed resolvins of the D series, for example resolvin D1 (RvD1).Resolvins and protectins have specific stereoselective actions which evoke biological actions in the nanogram range in vivo and are natural exudate products. Resolvins and protectins as distinct chemical families join the lipoxins as potent agonists of endogenous anti-inflammation and are proresolving chemical mediators of interest in human disease as potential new approaches to treatment. The term resolvins (resolution-phase interaction products) was first introduced to signify that these new structures were endogenous mediators, biosynthesized in the resolution phase of inflammatory exudates, possessing very potent anti-inflammatory and immunoregulatory actions. These actions include reducing neutrophil traffic, regulating cytokine and reactive oxygen species, and lowering the magnitude of the response. In recent years, investigators have recognized inflammation as playing a key role in many prevalent diseases not previously considered to be of inflammatory etiology. These include Alzheimers disease, cardiovascular disease, and cancer, which now join those well-appreciated inflammatory disorders such as arthritis and periodontal disease. Identifying the molecular mechanism(s) that underlie the many reports of the benefits of dietary omega-3 PUFAs remains an important challenge for nutrition and medicine. Thus, that these new mediator families, resolvins and protectins, are biosynthesized from EPA and DHA, act locally, and possess potent, novel bioactions is of interest to researchers. (PMID: 17090225).
Isolithocholic acid
Isolithocholic acid is a bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. A bile acid. 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). A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic. [Analytical] Sample of 1 micorL methanol solution was flow injected. Isolithocholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1534-35-6 (retrieved 2024-07-15) (CAS RN: 1534-35-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Isolithocholic acid (β-Lithocholic acid) is an isomer of Lithocholic acid. Isolithocholic acid, a bile acid, is formed by microbial metabolism of Lithocholic acid or Lithocholic acid 3α-sulfate[1][2].
10-Apo-beta-carotenal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Allolithocholic acid
Allolithocholic acid is a bile acid present in normal serum and feces, with a tendency to be at higher concentrations in patients with colon cancer, particularly in men (PMID 16548228). A bile acid. 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). Allolithocholic acid is a bile acid present in normal serum and feces, with a tendency to be at higher concentrations in patients with colon cancer, particularly in men (PMID 16548228). D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis.
Prehumulone
Prehumulone is found in alcoholic beverages. Prehumulone is a minor constituent of hop
9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(3-Methyl-2E-butenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea.
Macrophorin C
Macrophorin C is found in pomes. Macrophorin C is from Macrophoma fruit ro From Macrophoma fruit rot. Macrophorin C is found in pomes.
[12]-Gingerdione
[12]-Gingerdione is found in herbs and spices. [12]-Gingerdione is from Zingiber officinale (ginger). From Zingiber officinale (ginger). [12]-Gingerdione is found in herbs and spices.
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate
9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea.
Isoallolithocholic acid
Isoallolithocholic acid is a bile acid. 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). A bile acid. 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.
12b-Hydroxy-5b-cholanoic acid
12-hydroxy-(5b,12b)-Cholan-24-oic acid is a naturally occurring bile acid that has been identified in human bile. (PMID: 14167657) [HMDB] 12-hydroxy-(5b,12b)-Cholan-24-oic acid is a naturally occurring bile acid that has been identified in human bile. (PMID: 14167657).
7a-Hydroxy-5b-cholanic acid
7a-hydroxy-5b-cholanic acid is a bile acid. 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). 7a-hydroxy-5b-cholanic acid is a bile acid. 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]
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0)
MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well. [HMDB] MG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0/0:0) is a monoacylglyceride. A monoglyceride, more correctly known as a monoacylglycerol, is a glyceride consisting of one fatty acid chain covalently bonded to a glycerol molecule through an ester linkage. Monoacylglycerol can be broadly divided into two groups; 1-monoacylglycerols (or 3-monoacylglycerols) and 2-monoacylglycerols, depending on the position of the ester bond on the glycerol moiety. Normally the 1-/3-isomers are not distinguished from each other and are termed alpha-monoacylglycerols, while the 2-isomers are beta-monoacylglycerols. Monoacylglycerols are formed biochemically via release of a fatty acid from diacylglycerol by diacylglycerol lipase or hormone sensitive lipase. Monoacylglycerols are broken down by monoacylglycerol lipase. They tend to be minor components only of most plant and animal tissues, and indeed would not be expected to accumulate because their strong detergent properties would have a disruptive effect on membranes. 2-Monoacylglycerols are a major end product of the intestinal digestion of dietary fats in animals via the enzyme pancreatic lipase. They are taken up directly by the intestinal cells and converted to triacylglycerols via the monoacylglycerol pathway before being transported in lymph to the liver. Mono- and Diglycerides are commonly added to commercial food products in small quantities. They act as emulsifiers, helping to mix ingredients such as oil and water that would not otherwise blend well.
11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid
11b-hydroxy-3,20-dioxopregn-4-en-21-oic acid or HDOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA and then to HDOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4-en-21-al. Cytochrome P450 3A4 (CYP3A4), is known to convert corticosterone to the gem-diol form of the aldehyde. Because CYP3A4 is highly abundant in the liver, the conversion of corticosterone to its aldehyde presumably occurs readily, and the formation of DHOPA by isomerization of the aldehyde. Subsequent dehydrogenation of DHOPA to HDOPA may be done by one of several liver specfici dehydrogenases. Possible candidates include aldehyde dehydrogenase type 3, lactate dehydrogenase A4, or 11b-hydroxysteroid dehydrogenase I. HDOPA has also been identified as a biomarker that is elevated (3700 X) in animals that have been treated with PPARalpha agonists. Peroxisome proliferator-activated receptor alpha (PPARalpha) is a nuclear receptor with manifold effects on intermediary metabolism (PMID: 17550978). [HMDB] 11b-hydroxy-3,20-dioxopregn-4-en-21-oic acid or HDOPA is a major metabolite of corticosterone that is typically elevated in the liver. The in vivo conversion of corticosterone to DHOPA and then to HDOPA is thought to proceed via the aldehyde intermediate 11b-hydroxy-3,20-dioxopregn-4-en-21-al. Cytochrome P450 3A4 (CYP3A4), is known to convert corticosterone to the gem-diol form of the aldehyde. Because CYP3A4 is highly abundant in the liver, the conversion of corticosterone to its aldehyde presumably occurs readily, and the formation of DHOPA by isomerization of the aldehyde. Subsequent dehydrogenation of DHOPA to HDOPA may be done by one of several liver specfici dehydrogenases. Possible candidates include aldehyde dehydrogenase type 3, lactate dehydrogenase A4, or 11b-hydroxysteroid dehydrogenase I. HDOPA has also been identified as a biomarker that is elevated (3700 X) in animals that have been treated with PPARalpha agonists. Peroxisome proliferator-activated receptor alpha (PPARalpha) is a nuclear receptor with manifold effects on intermediary metabolism (PMID: 17550978).
14-Hydroxy-E4-neuroprostane
14-Hydroxy-E4-neuroprostane, also known as 14-E4-NeuroP or 14H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 14-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 14-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
17-Hydroxy-E4-neuroprostane
17-Hydroxy-E4-neuroprostane, also known as 17-E4-NeuroP or 17H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 17-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 17-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
20-Hydroxy-E4-neuroprostane
20-Hydroxy-E4-neuroprostane, also known as 20-E4-NeuroP or 20H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 20-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 20-Hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
4-Hydroxy-D4-neuroprostane
4-Hydroxy-D4-neuroprostane, also known as 4-D4-NeuroP or 4H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 4-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 4-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
7-Hydroxy-D4-neuroprostane
7-Hydroxy-D4-neuroprostane, also known as 7-D4-NeuroP or 7H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 7-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 7-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Dinoprostone is equivalent to prostaglandin E2 (PGE2). It stimulates labor and delivery and thus terminates pregnancy. Dinoprostone is also capable of stimulating the smooth muscle of the gastrointestinal tract of man. This activity may be responsible for the vomiting and/or diarrhea that is not uncommon when dinoprostone is used to terminate pregnancy. [HMDB]
9'-Carboxy-gamma-chromanol
9-Carboxy-gamma-tocopherol is a dehydrogenation carboxylate product of 9-hydroxy-r-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. r-Tocopherol provides different antioxidant activities in food and in-vitro studies and showed higher activity in trapping lipophilic electrophiles and reactive nitrogen and oxygen species. From the metabolism end product, only that of r-tocopherol (2,7,8-trimethyl-2-(b-carboxyethyl)-6-hydroxychroman), but not that of a-tocopherol, was identified to provide natriuretic activity. Only the r-tocopherol plasma level served as biomarker for cancer and cardiovascular risk.
10'-Apo-beta-carotenal
10-Apo-beta-carotenal belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. 10-Apo-beta-carotenal is a constituent of oranges and other citrus fruits. 10-Apo-beta-carotenal is a substrate for beta,beta-carotene 9,10-oxygenase. Constituent of oranges and other citrus fruits. 10-Apo-beta-caroten-10-al is found in citrus. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
10-Hydroxy-D4-neuroprostane
10-Hydroxy-D4-neuroprostane, also known as 10-D4-NeuroP or 10H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
10-Hydroxy-E4-neuroprostane
10-Hydroxy-E4-neuroprostane, also known as 10-E4-NeuroP or 10H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 10-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 10-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
11-Hydroxy-D4-neuroprostane
11-Hydroxy-D4-neuroprostane, also known as 11-D4-NeuroP or 11H-D4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroxy-D4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroxy-D4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
11-Hydroxy-E4-neuroprostane
11-Hydroxy-E4-neuroprostane, also known as 11-E4-NeuroP or 11H-E4np, is a member of the class of compounds known as prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five-member ring, and are based upon the fatty acid arachidonic acid. 11-Hydroxy-E4-neuroprostane is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, 11-hydroxy-E4-neuroprostane is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space.
4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
7,8,17-trihydroxy-4,9,11,13,15,19-docosahexaenoic acid
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
Pinane thromboxane A2
ent-6beta,17-Diacetoxy-14,15-dinor-7,11E-labdadien-13-one
ent-1alpha-Acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one
Methyl ent-16-acetoxy-8-oxo-8-desmethyl-6,13E-labdadien-15-oate
Ent-19-acetoxy-15,16-epoxy-3,13(16),14-clerodatrien-6,18-diol
(2E)-3-(Acetoxymethyl)-5-[(1S,4aR,8aR)-2-formyl-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-pentenoic acid
2-{2-[2-(2-HYDROXYETHOXY)ETHOXY]ETHOXY}ETHYL DODECANOATE
methyl (Z)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoate
Resolvin D3
A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer). CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0210.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0000141.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Di-Ac-(3beta,5alpha,13alpha,16alpha)-Androstane-3,16-diol
(2S,5S,13Z)-5-acetoxy-2-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al
7alpha,12alpha-dihydroxy-3-oxo-23,24-dinorchol-4-enoic acid
1-hydroxyialibinone D|rel-(2R,3aR,7R,8aR)-1,2,3,7,8,8a-hexahydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-1,1,7-trimethyl-5-(2-methylbutanoyl)-4H-3a,7-methanoazulene-4,9-dione
15-methoxy-16-oxo-15,16H-hardwickiic acid methyl ester|methyl ester of 15-methoxy-16-oxo-15,16H-hardwickiic acid
(2S,5R,13Z)-2-acetoxy-5-hydroxy-10-oxo-4,10-secospata-13(15),17-dien-12-al
Enantio-18-acetoxy-labdien-8(20).13-15-saeuremethylester
ent-18-acetoxy-3beta,7alpha-dihydroxykaur-15-en-17-al
(2E,4E,6R)-3-(4-Guanidinobutyl)-1-(2,6,10-trimethylundeca-2,4,9-trienoyl)guanidine dihydrochloride|(R)-stellettadine A dihydrochloride
(Z)-3-Hydroxy-2-(1-oxo-9-otadecenyl)-2-cyclohexen-1-one
1-epi-sinulariolide acetate|11-Epi-sinulariolide acetate
ent-3beta-acetoxy-7alpha,18-dihydroxykaur-15-en-17-al
(1alpha,3beta,5beta,9beta,10alpha,11beta,13beta)-1,11,16-trihydroxyabieta-6,8(14),15(17)-trien-3-yl acetate|ent-abienervonin B
1-oleoylcyclohexane-1,3-dione|2-Oleoylcyclohexane-1,3-dione
4-Ketone,11-Ac-(4beta,11beta)-2,9:3,16-Diepoxy-7(19)-asbestinene-4,11-diol|?藛7(19)-Isomer,4-ketone,11-deacyl,11-Ac-Asbestinin 2
turraeanin C|[16(E),12S,15R]-rel-16-acetoxy-12,15-epoxy-15-methoxy-ent-labda-8(17),13(16)-diene
3,6-dimethyl-6-( 8-phenyloctyl)-1 ,2-dioxane-3 -propanoic acid
2-Acetoxy-2,5,5,8a-tetramethyldispiro[decalin-1,2-oxolane-5,3(2H)-furan]-3-one
(13E)-labd-7,13-diene-15-yl malonic acid|13(E)-labda-7,13-diene-15-ol malonate|lambda-7,13E-dien-15-yl malonate
9-Ac-(ent-15beta)-9, 15-Dihydroxy-16-kauren-19-oic acid
(8E,11R,12R,13R)-11-(acetyloxy)-5,9-dimethyl-12-(1-methylethyl)-14-oxabicyclo[11.2.1]hexadeca-1(16),8-diene-3,15-dione|sacrophytonolide J|sarcophytonolide J
(2R,3R,4S,6E,9E,10R)-17-acetoxyxenic-4-hydroxy-6,9,13-trien-1,2-dial|17-Ac-(1(9)E,4S,6E,10R)-4,17-Dihydroxy-1(9),6,13-xenicatriene-18,19-dial
11R*-acetoxy-2-oxo-neocleroda-3,13E-dien-15-oic acid|11R*-acetoxy-2-oxokolavenic acid
7alpha,16alpha,17-trihydroxy-ent-kauran-6-one 16,17-acetonide|broussonetone C
17-Ac-(3beta,5alpha,17alphaOH)-3,17-Dihydroxypregnan-20-one
1,15-Lactone,11-Ac-9,11,15-Trihydroxyprosta-5,13,17-trienoic acid,9CI|prostaglandin F3alpha 1,15-lactone 11-acetate
(-)-methyl solidagonate|methyl 7alpha-acetoxykolavenoate|methyl solidagonate|Solidagonsaeure-methylester
3-Ac-(3beta,5alpha,14beta,17alpha)-3,14-Dihydroxypregnan-20-one
Propanoyl-(ent-13E)-15-Hydroxy-1(10),13-halimadien-18-oic acid
irciformonin A|irciformonin J|rel-(5R)-5-[(1S,5E,8E)-11-(furan-3-yl)-1,4-dihydroxy-4,8-dimethylundeca-5,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one
methyl 15-acetoxy-1(10),13E-ent-halimene-18-oate|methyl-15-acetoxy-1(10),13E-ent-halimadien-18-oate|methyl-15-acetoxy-1(10),13E-halimadien-18-oate
8-(4-Hydroxybenzoyl)-4(15)-Germacrene-6,8,10-triol
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-15-acetoxy-5,6-epoxylathyr-12-en-3-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-5,6-epoxylathyr-12-en-15-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
6beta-acetoxy-7beta-hydroxyvouacapen-5alpha-ol|pulcherrin F
6beta-hydroxy-7beta-acetoxyvouacapen-5alpha-ol|pulcherrin E
ent-18-acetoxy-7alpha,14beta-dihydroxykaur-16-en-15-one
(1aR,3aR,5E,7S,12R,13aR)-4,7,8,9,10,11,12,13-octahydro-3a-hydroxy-5,13,13-trimethyl-9-methylidene-3aH-1a,12-ethanocyclododeca[b]oxireno[c]furan-7(2H)-yl acetate|cespitulin G
17beta-Hydroxy-3beta-acetoxy-octanor-dammaran|3beta-Acetoxy-17beta-hydroxy-<20/27>-octanor-dammaran|3beta-acetoxy-20,21,22,23,24,25,26,27-octanordammaran-20-one|3beta-acetoxy-4,4,8,14-tetramethyl-18-nor-5alpha-androstan-17beta-ol
8-Acetoxy-15,16-epoxy-8,9-secolabda-13(16),14-diene-7,9-dione
Cadlinolide B acetate; Tetrahydroaplysulphurin-1|tetrahydroaplysulfurin-1|Tetrahydroaplysulphurin-1
3beta,12beta-dihydroxy-23,24,25,26,27-hexanordammarane-20-one
(1S*,4S*,5S*,9R*,11S*,13E)-16-O-acetyl-15-hydroxy-4,5-epoxyxeniaphylla-8(19),13-dien-12-one|gibberosin H
6-(8Z-pentadecenyl)-1,2,4-trihydroxybenzene-1-O-acetate|ardisiphenol B
2beta-acetoxy-6beta-angeloyloxy-7alpha-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,8-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol
ent-12beta-acetoxy-15beta-hydroxykaur-16-en-19-oic acid
16-acetoxy-2-oxo-ent-labda-8(17),13Z-dien-15-oic acid
2beta-acetoxy-7alpha-angeloyloxy-6beta-hydroxyoplopa-3(14)Z,8(10)-diene|3-Ac,9-angeloyl-(3beta,4Z,8beta,9alpha)-4,10(14)-Oplopadiene-3,8,9-triol
(3alpha,14beta)-3,18-[(1-methylethane-1,1,diyl)dioxy]-ent-abieta-7,15(17)-diene-14,16-diol|14beta,16-dihydroxy-3alpha,18-[(1-methylethane-1,1-diyl)dioxy]-ent-abieta-7,15(17)-diene
1alpha-acetoxy-8alpha-angeloyloxy-10alphaH-eremophil-11(13)-en-9-one
17-acetoxy-14beta-hydroxy-15,16-epoxycleistanth-12-en-11-one
8-Me ether,di-Ac-(8S,9R,10S)-1-Heptadecene-11,13-diyne-8,9,10-triol
ent-16beta,17-Dihydroxykauran-19-oic acid 16alpha,17-acetonide
16-Acetoxy-trans-labda-8(14).13(15)-dien-19-saeure-methylester|Isocupressinsaeure-methylester-acetat|methyl (E)-15-acetoxylabda-8(17),13-dien-19-oate|methyl 15-O-acetylisocupressate|methyl acetylisocupressate|Methyl-15-acetoxy-8(17),E-13-labdadien-19-oat ( =Methylacetylisocupressat)|Methyl-15-acetoxy-8(17)-(E)-13-labdadien-19-oat|Methylisocupressat
ent-3,13E-clerodadien-15-yl-methyl malonic acid diester
15-Hydroxy-9-ketoprosta-5,8(12),13-trien-carbonsaeure
Methyl-19-acetoxy-8,(E)13-labdadien-15-oat|Methyl-19-hydroxy-8-E-13-labdadien-15-oatacetat
11-Acetoxy-labd-8(20)13-dien-15-carbonsaeuremethylester
methyl 3beta-acetoxyanticopalate|methyl ester 3beta-acetoxyanticopalic acid
10-Ac-(Z)-5-(10-Hydroxy-8-pentadecenyl)-1,3-benzenediol|5-(10-acetoxy-pentadec-8Z-enyl)-Resorcinol
20-hydroxy-4,8,13,17-tetramethyl-4,8,12,16-eicosatetraenoic acid
1-(3,4-dihydroxyphenyl)octadecan-5-one|3-Hydroxy-1-(4-Hydroxyphenyl)-5-octadecanone
(Z)-2,5-dihydroxy-3-(heptadec-8-enyl)-1,4-benzoquinone|2-(heptadec-8-enyl)-3,6-dihydroxy-1,4-benzoquinone
Pinane thromboxane A2
7alpha-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
7beta-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12alpha-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12beta-Hydroxy-5beta-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
3alpha-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
3beta-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
7alpha-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
7beta-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12alpha-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
12beta-Hydroxy-5alpha-cholan-24-oic Acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.
6a-Hydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
6b-Hydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
6a-Hydroxy-5a-cholan-24-oic acid
BA-93-60. 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-93-120. 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-93-90. 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.
(5a,6b)-6-Hydroxycholan-24-oic acid
BA-94-120. 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-94-90. 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.
Lithocholic acid
A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids D013501 - Surface-Active Agents > D003902 - Detergents relative retention time with respect to 9-anthracene Carboxylic Acid is 1.566 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.575 Lithocholic acid is a toxic secondary bile acid that can promote intrahepatic cholestasis and promote tumorigenesis.
C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)
β-Lithocholanic acid
A monohydroxy-5beta-cholanic acid with a beta-hydroxy substituent at position 3. The 3beta-hydroxy epimer of lithocholic acid. Isolithocholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=1534-35-6 (retrieved 2024-07-15) (CAS RN: 1534-35-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Isolithocholic acid (β-Lithocholic acid) is an isomer of Lithocholic acid. Isolithocholic acid, a bile acid, is formed by microbial metabolism of Lithocholic acid or Lithocholic acid 3α-sulfate[1][2].
(R)-4-((3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
15(R)-Pinane Thromboxane A2
(±)-CP 55,940
CP 55,940
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(±)5-epi CP 55,940
10'-apo-beta-carotenal
bhas#22
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#22 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#22
An omega-hydroxy fatty acid ascaroside that is oscr#22 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
ST 24:1;O3
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
beta-Apo-10-carotenal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(phenylmethyl)- (9CI)
1-(2-(benzyloxy)ethyl)-4-(tert-butyldimethylsilyloxy)cyclohexanecarbaldehyde
1,2-DIFLUORO-4-(TRANS-4-(2-(TRANS-4-PENTYLCYCLOHEXYL)ETHYL)CYCLOHEXYL)BENZENE
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3,5-dimethylphenyl)- (9CI)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(2-ethylphenyl)- (9CI)
3-Benzyl-1-dodecyl-2-methyl-1H-imidazolium chloride
17BETA-HYDROXY-4,4-DIMETHYLSPIRO(5ALPHA-ANDROSTANE-3,2-OXAZOLIDIN)-3-YLOXY
Glyoxal bis(2,6-diisopropylanil),N,Nμ-Bis(2,6-diisopropylphenyl)-1,4-diazabutadiene,N,Nμ-Bis(2,6-diisopropylphenyl)ethanediimine
Ethyl 1-Boc-3-(1-phenylethylaMino)piperidine-4-carboxylate
Ethyl-p-((E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-1-propenyl)benzoate
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D000970 - Antineoplastic Agents
(2E,4E,6Z,8E)-3-Methyl-7-(p-tolyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(3R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytridecanoic acid
Hexcarbacholine
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C66886 - Nicotinic Antagonist
Methyl 3-(acetyloxymethyl)-5-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)pent-2-enoate
2-Methyl-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-1,4-naphthoquinone
(E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] dihydrogen phosphate
[3-Carboxy-2-(3,5-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,10-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,9-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,6-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,8-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,7-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,4-dihydroxydodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3,11-dihydroxydodecanoyloxy)propyl]-trimethylazanium
Ardisiphenol B
An acetate ester obtained from the formal condensation of acetic acid with the hydroxy group at position 1 of 6-[(8Z)-pentadec-8-en-1-yl]benzene-1,2,4-triol. Isolated from the dried fruits of Ardisia colorata, it exhibits scavenging activity towards DPPH radicals and cytotoxicity against murine breast cancer cell line, FM3A.
4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
1-[1-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxo)methyl]cyclohexyl]-3-cyclohexylurea
2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzimidazol-5-amine
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3-Acetyl-5alpha-androstane-3beta,17beta-diol 3-acetate
(2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4S)-4-hydroxy-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
2,3-dihydroxypropyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] acetate
[8-[2-(4-Hydroxyoxan-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
4-[(3R,5R,8R,9S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
[(2S)-2,3-dihydroxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
[1-Carboxy-3-[2,3-di(butanoyloxy)propoxy]propyl]-trimethylazanium
[3-(3-Acetyloxy-2-hexanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
[1-Carboxy-3-(2-pentanoyloxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
[1-Carboxy-3-(2-hydroxy-3-nonanoyloxypropoxy)propyl]-trimethylazanium
(3R,12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytridecanoic acid
1-O-(1E,3E,5E,7E,9E-heneicosapentenyl)-sn-glycerol
2-acylglycerol 20:5
A 2-monoglyceride in which the acyl group contains 20 carbons and 5 double bonds.
monoacylglycerol 20:5
A monoglyceride in which the acyl group contains a total of 20 carbon atoms and 5 double bonds at unspecified positions.
3-deoxychenodeoxycholic acid
A monohydroxy-5beta-cholanic acid in which the hydroxy group is located at the 7alpha-position. A structural derivative of the bile acid, chenodeoxycholic acid.
2-[(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl]-sn-glycerol
A monoacylglycerol 20:5 in which the acyl group specified at position 2 is (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl.
2-hydroxy-5-methoxy-6-methyl-3-(pentadec-10-en-1-yl)cyclohexa-2,5-diene-1,4-dione
[(2r,3e,5s)-2-{[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-5-methoxyoxolan-3-ylidene]methyl acetate
3-[(8z)-heptadec-8-en-1-yl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
2-{[4-(3-hydroxybutyl)-3,3,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
15-(3,5-dihydroxyphenyl)pentadec-7-en-6-yl acetate
methyl (2e)-5-[(1s,4ar,6s,8ar)-6-(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpent-2-enoate
(1r,3ar,4r,5s,7as)-1,3,4,5,7-pentamethyl-5-[(1e,3e)-2-methyl-4-phenylbuta-1,3-dien-1-yl]-3a,7a-dihydro-1h-indene-4-carboxylic acid
[(2s,3e,5r)-2-{[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl}-5-methoxyoxolan-3-ylidene]methyl acetate
3-{[9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnona-2,6-dien-1-yl]oxy}-3-oxopropanoic acid
[7-(acetyloxy)-4b,8,8,10a-tetramethyl-2-methylidene-decahydrophenanthren-1-yl]acetic acid
3-(2-formyl-2,4b,8,8,10a-pentamethyl-decahydrophenanthren-1-yl)-2-methylpropanoic acid
(1s,3ar,3br,5ar,7s,9ar,9br,11as)-1-hydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-7-yl acetate
3-{[(2e,6e)-9-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-yl]oxy}-3-oxopropanoic acid
(1'r,2r,2's,4'r,9's,10's,13's)-2'-hydroxy-5,5,5',5',9'-pentamethylspiro[1,4-dioxolane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan]-3'-one
2,4-dihydroxy-6-(pentadec-8-en-1-yl)phenyl acetate
methyl (2e)-5-[(1s,2r,4r,4ar,8ar)-4-(acetyloxy)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoate
3-oxo-3-{[(1s,2s,7s,10s,12r,13s)-2,6,6,13-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadecan-12-yl]oxy}propanoic acid
6-hydroxy-n-isopentenyldendroxine
{"Ingredient_id": "HBIN012463","Ingredient_name": "6-hydroxy-n-isopentenyldendroxine","Alias": "6-hydroxy- n -isopentenyldendroxine","Ingredient_formula": "C22H34NO4(+)","Ingredient_Smile": "NA","Ingredient_weight": "376.515","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7543;7558","PubChem_id": "NA","DrugBank_id": "NA"}
alangionoside Ｊ
{"Ingredient_id": "HBIN015034","Ingredient_name": "alangionoside \uff2a","Alias": "NA","Ingredient_formula": "C19H36O7","Ingredient_Smile": "CC1CC(CC(C1CCC(C)O)(C)C)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35356","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
