Exact Mass: 370.2831
Exact Mass Matches: 370.2831
Found 405 metabolites which its exact mass value is equals to given mass value 370.2831,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Docosanedioic acid
Phellogenic acid, also known as 1,20-eicosanedicarboxylic acid or 1,22-docosanedioate, is a member of the class of compounds known as very long-chain fatty acids. Very long-chain fatty acids are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Thus, phellogenic acid is considered to be a fatty acid lipid molecule. Phellogenic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Phellogenic acid can be found in potato, which makes phellogenic acid a potential biomarker for the consumption of this food product. Docosanedioic acid is an alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as a metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of a docosanedioate(2-). It derives from a hydride of a docosane. Docosanedioic acid is a natural product found in Pinus radiata with data available.
Diethylhexyl adipate
Diethylhexyl adipate (DEHA) is an indirect food additive arising from contact with polymers and adhesives. DEHA is a plasticizer. DEHA is an ester of 2-ethylhexanol and adipic acid. Its chemical formula is C22H42O4. Indirect food additive arising from contact with polymers and adhesives
Thromboxane B2
Thromboxanes. A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin). -- Pubchem. Thromboxanes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Thromboxanes
6-Keto-prostaglandin F1a
6-keto-Prostaglandin F1a is the physiologically active and stable metabolite of prostacyclin. (A prostaglandin found in nearly all mammalian tissue that is a powerful vasodilator and inhibits platelet aggregation; it is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue; the sodium salt has been also used to treat primary pulmonary hypertension (Hypertension, Pulmonary). A delayed and prolonged increase in 6-keto-PGF1 alpha is reported in animals with septic shock, i.e., those with fecal peritonitis or cecal ligation. 6-keto-Prostaglandin F1a plasma levels has been found increased in patients with epidemic hemorrhagic fever, in patients with acute obstructive suppurative cholangitis, in patients with gynecologic cancer and has significant correlation with the level of high density lipoprotein cholesterol in plasma. (PMID 1976492, 2298410, 2379443, 2111556)Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 6-keto-Prostaglandin F1a is the physiologically active and stable metabolite of prostacyclin. (A prostaglandin found in nearly all mammalian tissue that is a powerful vasodilator and inhibits platelet aggregation; it is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue; the sodium salt has been also used to treat primary pulmonary hypertension (Hypertension, Pulmonary).
Stellatic acid
A sesterterpenoid with formula C25H38O2 which is isolated from the fungus Emericella variecolor.
(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol
(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol is found in crustaceans. (3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol is a constituent of Mytilus edulis (blue mussel) and other crustaceans, molluscs and sponges Constituent of Mytilus edulis (blue mussel) and other crustaceans, molluscs and sponges. (3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol is found in crustaceans.
3-Oxo-4,6-choladienoic acid
3-Oxo-4,6-choladienoic 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. 3-Oxo-4,6-choladien-24-oic acid is an endogenous metabolite. 3-Oxo-4,6-choladien-24-oic acid exsists in the urine of patients with hepatobiliary disease[1].
Antibiotic SB 202742
Antibiotic SB 202742 is found in fruits. Antibiotic SB 202742 is a constituent of Spondias mombin (yellow mombin). Constituent of Spondias mombin (yellow mombin). Antibiotic SB 202742 is found in fruits.
Asterosterol
Asterosterol is found in mollusks. Asterosterol is found in clams and oyster Found in clams and oysters
20-Hydroxy-PGF2a
20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787, 3473507) [HMDB] 20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787, 3473507).
10,11-dihydro-20-dihydroxy-LTB4
10,11-dihydro-20-dihydroxy-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation.LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 10,11-Dihydro-20-dihydroxy-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation.LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737)
Prostaglandin G1
Prostaglandin G1 belongs to the family of Prostaglandins. Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Prostaglandin G1 belongs to the family of Prostaglandins
trans-2-Tetradecenoylcarnitine
trans-2-Tetradecenoylcarnitine is an acylcarnitine. More specifically, it is an trans-2-tetradecenoic 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. trans-2-Tetradecenoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine trans-2-tetradecenoylcarnitine 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. In particular trans-2-tetradecenoylcarnitine is elevated in the blood or plasma of individuals with very long-chain acyl-CoA dehydrogenase (VLACD) deficiency (PMID: 25843429, PMID: 19327992, PMID: 11433098, PMID: 18670371, PMID: 12828998), trifunctional protein (mitochondrial long-chain ketoacyl-coa thiolase) deficiency (PMID: 16423905), mitochondrial dysfunction in diabetes patients (PMID: 28726959), acadvl acyl-coa dehydrogenase very long chain deficiency (PMID: 29491033), nonalcoholic fatty liver disease (NAFLD) (PMID: 27211699), and insulin resistance type 2 diabetes (PMID: 24358186). 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].
Rimexolone
Rimexolone is only found in individuals that have used or taken this drug. It is a glucocorticoid steroid used to treat inflammation in the eye. It is marketed as a 1\\% eye drop solution under the trade name VexolRimexolone is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. By binding to the glucocorticoid receptor, this drug ultimately leads to changes in genetic transcription involving the lipocortins and prostaglandins.
Dioctyl hexanedioate
Dioctyl hexanedioate is a food additive [Goodscents]. Food additive [Goodscents]
19-hydroxyprostaglandin H1(1-)
19-hydroxyprostaglandin H1(1-) is considered to be practically insoluble (in water) and acidic
Myristoleoylcarnitine
Myristoleoylcarnitine is an acylcarnitine. More specifically, it is an myristoleoic 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. Myristoleoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine myristoleoylcarnitine 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. In particular myristoleoylcarnitine is elevated in the blood or plasma of individuals with very long-chain acyl-CoA dehydrogenase (VLACD) deficiency (PMID: 25843429, PMID: 19327992, PMID: 11433098, PMID: 18670371, PMID: 12828998), trifunctional protein (mitochondrial long-chain ketoacyl-coa thiolase) deficiency (PMID: 16423905), mitochondrial dysfunction in diabetes patients (PMID: 28726959), acadvl acyl-coa dehydrogenase very long chain deficiency (PMID: 29491033), nonalcoholic fatty liver disease (NAFLD) (PMID: 27211699), and insulin resistance type 2 diabetes (PMID: 24358186).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). Myristoleoylcarnitine has also been identified in the human placenta (PMID: 32033212 ). 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].
N-Palmitoyl Asparagine
N-palmitoyl asparagine, also known as propyl paraben sulfate or propyl 4-sulfooxybenzoate belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Palmitic acid amide of Asparagine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Palmitoyl Asparagine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Palmitoyl Asparagine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Adb-chminaca, (+/-)-
19-Hydroxyprostaglandin E1
19-Hydroxyprostaglandin F
N-[1'-(Aminocarbonyl)-2',2'-dimethylpropyl]-1-(cyclohexylmethyl)-1h-indazole-3-carboxamide
MG(18:1(12Z)-O(9S,10R)/0:0/0:0)
MG(18:1(12Z)-O(9S,10R)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(18:1(9Z)-O(12,13)/0:0/0:0)
MG(18:1(9Z)-O(12,13)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:1(12Z)-O(9S,10R)/0:0)
MG(0:0/18:1(12Z)-O(9S,10R)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:1(9Z)-O(12,13)/0:0)
MG(0:0/18:1(9Z)-O(12,13)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
1-epi-2beta,3beta,5beta,6beta,10alpha,16alpha-hexahydroxygrayanane|craiobiotoxin VII
Me ester-(ent-2beta,3alpha,4alpha,13S)-2,3,4-Trihydroxy-15-clerodanoic acid|methyl 2alpha,3beta,4beta-trihydroxy-neo-clerodan-15-oate
Ceroplasterinsaeure; 6alpha.10beta.11alpha-Delta3(20).7.18-Ophiobolatrien-25-saeure|Ophiobolic acid
19-Nor-cholest-4-en-3-on|19-nor-cholest-4-en-3-one|19-norcholest-4-en-3-one
2,3-dihydroxypropyl (9Z,12Z)-11-hydroxyoctadeca-9,12-dienoate
Asterosterol
1-O-(2-Hydroxy-4-cis-hexadecenyl)-2,3-isopropylidenglycerol
3beta-Hydroxy-26,27-bis-nor-22-trans-chloesta-5,22-dien-24-on
2-[(6Z,9Z,12Z)-heptadeca-6,9,12-trienyl]-6-hydroxybenzoic acid
(10Z,13Z,16Z)-5-(nonadeca-10,13,16-trienyl)resorcinol
(+)-12beta,17-epoxyemericella-3E,7E,22-trien-16-al|emericellene A
(4E,8E)-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one|4-O-methyldshamirone|O(7)-methyl-2-nor-1,2-secoammoresinol
26,27-Bisnorcholest-5-en-23-yn-3beta,7alpha-diol|Gelliusterol A
TXB2-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0071.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_1min0071.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_1min0071.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_0001327.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_0001327.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_0001327.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_0001327.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_0001327.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_0001327.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
20-Hydroxy-PGF2a
(20S,22E)-3β-Hydroxychola-5,16,22-trien-24-oic Acid
Rimexolone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Methyl Arachidonyl Fluorophosphonate
D004791 - Enzyme Inhibitors
(3beta,22E)-26,27-Dinorergosta-5,22-dien-3-ol
FA 20:3;O4
Thromboxane B2
A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.
ST 24:4;O3
3-Oxo-4,6-choladien-24-oic acid is an endogenous metabolite. 3-Oxo-4,6-choladien-24-oic acid exsists in the urine of patients with hepatobiliary disease[1].
5-((8Z,11Z,14Z)-nonadeca-8,11,14-trienyl) resorcinol
6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D004791 - Enzyme Inhibitors
Hexanedioic acid, di-C7-9-branched and linear alkyl esters
(carboxymethyl)dimethyl-3-[(1-oxotetradecyl)amino]propylammonium hydroxide
(4-propylphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
Pyrimidine, 2-[4-[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]-1-piperazinyl]- (9CI)
(Z)-(9S)-2-acetoxy-2-acetyl-5,9-dimethyl-10-hydroxydeca-4-enoic acid tert-butyl ester
2-ethylhexyl prop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
(E)-but-2-enoic acid,vinyl acetate,vinyl decanoate
ethenyl acetate,2-ethylhexyl prop-2-enoate,methyl 2-methylprop-2-enoate
4-(TRANS-4-PROPYLCYCLOHEXYL)-PHENYL TRANS-4-PROPYLCYCLOHEXANECARBOXYLATE
3-PHENYL-1-(PYRIDIN-2-YL)-5,6,7,8,9,10,11,12,13,14-DECAHYDROCYCLODODECA[C]PYRIDINE
Penmesterol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
PB 28 dihydrochloride
2,2-(2,3-Dihydro-1H-indene-4,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
20-Hydroxyprostaglandin E1
A prostaglandin E derivative that is prostaglandin E1 in which one of the methyl hydrogens at position 20 has been replaced by a hydroxy group.
Prostaglandin G1
A member of the class of prostaglandins G that is 9alpha,11alpha-epidioxy-13-trans-prostenoic acid carrying an additional hydroperoxy substituent at the 15S-position.
(S)-N-(4-Carbamimidoylbenzyl)-1-(3-Cyclopentylpropanoyl)pyrrolidine-2-Carboxamide
[(2R)-3-carboxy-2-[(E)-tetradec-2-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(Z)-tetradec-9-enoyl]oxypropyl]-trimethylazanium
[(2S)-2,3-dihydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
1,3-dihydroxypropan-2-yl (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
7-[2-[(E)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
(E)-7-[2-[(E)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
[3-carboxy-2-[(Z)-tetradec-5-enoyl]oxypropyl]-trimethylazanium
7-[6-[(E)-3,7-dihydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxohexadec-4-enyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-3-hydroxytrideca-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-3-hydroxytrideca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,9E)-3-hydroxytrideca-5,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,9E)-5-hydroxytrideca-7,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,11E)-5-hydroxytrideca-8,11-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E)-4-hydroxytrideca-6,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-3-hydroxytrideca-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-3-hydroxytrideca-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E)-6-hydroxytrideca-8,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,10E)-4-hydroxytrideca-7,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E)-7-hydroxytrideca-9,11-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-tetradec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-tetradec-7-enoyl]oxypropyl]-trimethylazanium
[(3E,5E)-2-(carboxymethyl)-2,16-dihydroxyhexadeca-3,5-dienyl]-trimethylazanium
[3-carboxy-2-[(E)-tetradec-9-enoyl]oxypropyl]-trimethylazanium
19-Hydroxyprostaglandin H1
A prostaglandin H that consists of prostaglandin H1 bearing an additional hydroxy substituent at position 19.
(5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid
An icosanoid that is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid carrying four hydroxy substituents at positions 8, 11, 12 and 20. An intermediary metabolite from the 12(R)-lipoxygenase pathway.
methyl 8-[(2E)-2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butylidene]hydrazinyl]-8-oxooctanoate
[(2R)-3-carboxy-2-[(Z)-tetradec-5-enoyl]oxypropyl]-trimethylazanium
(5S,6Z,8E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoic acid
[(2R)-3-carboxy-2-[(E)-tetradec-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-tetradec-2-enoyl]oxypropyl]-trimethylazanium
[(Z)-2-(carboxymethyl)-2-hydroxy-3-oxohexadec-11-enyl]-trimethylazanium
[(2S)-2-(carboxymethyl)-2,16-dihydroxyhexadeca-3,5-dienyl]-trimethylazanium
[(1S)-3-carboxy-1-[(E)-tetradec-2-enoyl]oxypropyl]-trimethylazanium
[1-hydroxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] pentanoate
[1-hydroxy-3-[(Z)-pentadec-9-enoxy]propan-2-yl] butanoate
[1-hydroxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] hexanoate
[1-[(Z)-hexadec-9-enoxy]-3-hydroxypropan-2-yl] propanoate
[1-[(Z)-heptadec-9-enoxy]-3-hydroxypropan-2-yl] acetate
(1-butanoyloxy-3-hydroxypropan-2-yl) (Z)-tetradec-9-enoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (Z)-tridec-9-enoate
(1-acetyloxy-3-hydroxypropan-2-yl) (Z)-hexadec-9-enoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (Z)-pentadec-9-enoate
2-[Hydroxy-(2-hydroxy-3-octoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
Docosanedioic_acid
Docosanedioic acid is an alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids. It has a role as a metabolite. It is an alpha,omega-dicarboxylic acid and a dicarboxylic fatty acid. It is a conjugate acid of a docosanedioate(2-). It derives from a hydride of a docosane. Docosanedioic acid is a natural product found in Pinus radiata with data available. An alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids.
(Z)-7-[(2R,3S,4S,6S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
3-Oxochola-4,6-dien-24-oic Acid
A 3-oxo Delta(4)-steroid that is the 3-oxo derivative of chola-4,6-dien-24-oic acid. 3-Oxo-4,6-choladien-24-oic acid is an endogenous metabolite. 3-Oxo-4,6-choladien-24-oic acid exsists in the urine of patients with hepatobiliary disease[1].
1-Naphthylacetylspermine
Naspm (1-Naphthyl acetyl spermine), a synthetic analogue of Joro spider toxin, is a calcium permeable AMPA (CP-AMPA) receptors antagonist.
(22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
6-Oxoprostaglandin F1alpha
A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position.
(2s,3r,4r)-2-[(14s)-14-hydroxypentadecyl]-4-methyl-5-oxooxolane-3-carboxylic acid
3a,5a,8-trimethyl-1-(prop-1-en-2-yl)-1h,2h,3h,4h,5h,6h,9h,10h,13h,14h,14ah,14bh-cycloundeca[e]indene-12-carboxylic acid
4,8-dimethyl-15-(4-methylpent-3-en-1-yl)spiro[bicyclo[9.3.1]pentadecane-12,2'-oxirane]-3,7-diene-15-carbaldehyde
(2r)-3-(acetyloxy)-2-{[(2z)-2-methylbut-2-enoyl]oxy}propyl 8-methylnonanoate
9a,11a-dimethyl-1-(5-methylhex-3-en-2-yl)-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
8-hydroxy-2-isopropyl-4a,8-dimethyl-octahydronaphthalen-1-yl 3-phenylprop-2-enoate
(4e,6e)-7-[(1r,2s,4r,5r,6s,7s,9s,11r)-5-[(2e)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.0²,⁴.0⁹,¹¹]dodecan-6-yl]-4-methylhepta-4,6-dien-3-one
2-[(1s,4s,6r,10r,12r)-1-methyl-6-(3-methylbut-2-en-1-yl)-7-methylidene-12-(prop-1-en-2-yl)bicyclo[8.2.0]dodecan-4-yl]prop-2-enoic acid
(4s)-7,11-dimethyl-4-(6-methylhepta-2,5-dien-2-yl)cyclotetradeca-1,7,11-triene-1-carboxylic acid
(1r,3s,4s,6r,8r,9s,10s,13s,14r,16s)-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,9,14,16-hexol
methyl (1s,2s,3s,6r,7s,10r,11s,12r)-2-decyltetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-diene-7-carboxylate
(3s,3ar,5ar,14ar,14br)-5a,12,14b-trimethyl-3-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,6h,9h,10h,13h,14h,14ah-cycloundeca[e]indene-8-carboxylic acid
4b,7,7,10a,12a-pentamethyl-1,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydrochrysene-1,2-dicarbaldehyde
(3r,5s)-5-(methoxymethyl)-3-(octadeca-13,17-dien-9,11-diyn-1-yl)oxolan-2-one
2,3-dihydroxypropyl (9z)-10-methyloctadec-9-enoate
3-(acetyloxy)-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate
(5as,5br,7as,11as,11br,13r,13as)-5b,8,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-13-ol
(1r,3s,4r,7s,11s,12r)-4-hydroxy-1,4,8-trimethyl-12-[(2s,3z)-6-methylhepta-3,5-dien-2-yl]tricyclo[9.3.0.0³,⁷]tetradec-8-en-6-one
(2s,3s,4r)-2-[(14r)-14-hydroxypentadecyl]-4-methyl-5-oxooxolane-3-carboxylic acid
(1e,5z,9e,12r,13s)-13-methoxy-1,5,9-trimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,5,9-triene
(1s,3r,6s,9s,10s,11s,17r,19s,20r)-3,6,19-trimethyl-9-(prop-1-en-2-yl)-16-oxapentacyclo[12.5.1.0³,¹¹.0⁶,¹⁰.0¹⁷,²⁰]icos-13-en-17-ol
2-(14-hydroxypentadecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
(4e,8e)-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
18R-Hydroxydihydroalloprotolichensterinic acid
{"Ingredient_id": "HBIN002149","Ingredient_name": "18R-Hydroxydihydroalloprotolichensterinic acid","Alias": "NA","Ingredient_formula": "C21H38O5","Ingredient_Smile": "CC1C(C(OC1=O)CCCCCCCCCCCCCC(C)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38798","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
