Exact Mass: 424.2460906
Exact Mass Matches: 424.2460906
Found 500 metabolites which its exact mass value is equals to given mass value 424.2460906,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Licoricidin
Licoricidin is a member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2 and 4, a methoxy group at position 5 and prenyl groups at positions 6 and 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has a role as an antibacterial agent and a plant metabolite. It is a member of hydroxyisoflavans, an aromatic ether and a methoxyisoflavan. Licoricidin is a natural product found in Glycyrrhiza, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). Licoricidin is found in herbs and spices. Licoricidin is a constituent of Glycyrrhiza glabra (licorice) and Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza glabra (licorice) and Glycyrrhiza uralensis (Chinese licorice). Licoricidin is found in tea and herbs and spices.
Dihydrovaltrate
Didrovaltratum is an iridoid monoterpenoid. Didrovaltrate is a natural product found in Valeriana pulchella, Fedia cornucopiae, and other organisms with data available. See also: Viburnum opulus bark (has part). Isolated from Valeriana subspecies Dihydrovaltrate is found in tea, fats and oils, and herbs and spices. Dihydrovaltrate is found in fats and oils. Dihydrovaltrate is isolated from Valeriana specie C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Pravastatin
Pravastatin is a member of the drug class of statins, used for lowering cholesterol and preventing cardiovascular disease. Pravastatin was identified originally in a mold called Nocardia autotrophica by researchers of the Sankyo Pharma Inc; An antilipemic fungal metabolite isolated from cultures of Nocardia autotrophica. It acts as a competitive inhibitor of HMG CoA reductase (hydroxymethylglutaryl CoA reductases); In medicine and pharmacology, pravastatin (Pravachol or Selektine) is a member of the drug class of statins, used for lowering cholesterol and preventing cardiovascular disease. C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors Pravastatin is a member of the drug class of statins, used for lowering cholesterol and preventing cardiovascular disease. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2859 EAWAG_UCHEM_ID 2859; CONFIDENCE standard compound D009676 - Noxae > D000963 - Antimetabolites
Difenoxin
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07D - Antipropulsives > A07DA - Antipropulsives C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent
toxin HT 2
HT-2 toxin is a trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. It has a role as a fungal metabolite and an apoptosis inducer. It is a trichothecene, an organic heterotetracyclic compound and an acetate ester. HT-2 Toxin is a natural product found in Fusarium heterosporum, Fusarium sporotrichioides, and other organisms with data available. A trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
Devazepide
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
14413-03-7
C23H37O5P (424.23784820000003)
23-hydroxycholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
LY 3009120
C23H29FN6O (424.23867559999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor LY3009120 (DP-4978) is a pan RAF inhibitor which inhibits BRAFV600E, BRAFWT and CRAFWT with IC50s of 5.8, 9.1 and 15 nM, respectively.
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide is found in fats and oils. 8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide is found in fats and oils.
Kanzonol H
Kanzonol H is found in herbs and spices. Kanzonol H is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol H is found in herbs and spices.
3a,7a,12a,19-Tetrahydroxy-5b-cholanoic acid
3a,7a,12a,19-Tetrahydroxy-5b-cholanoic 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. 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. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Heliocide B2
Heliocide B2 is found in fats and oils. Heliocide B2 is a constituent of Gossypium sp. Constituent of Gossypium species Heliocide B2 is found in fats and oils.
1beta-Hydroxycholic acid
1beta-Hydroxycholic acid is a C24 bile acid in the serum of healthy human fetuses and a urinary bile acid in the neonatal and pediatric periods. It is also excreted in the urine of pregnant women (PMID: 9483300, 10203155, 1400756). 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). 1b-Hydroxycholic acid is a C24 bile acid in the serum of healthy human fetuses, and an usual urinary bile acid in the neonatal and pediatric periods, also excreted in the urine of pregnant women. (PMID: 9483300, 10203155, 1400756) D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic 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. 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.
2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid
2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic 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.
3a,6b,7b,12a-Tetrahydroxy-5b-cholanoic acid
3a.6b,7b,12a-tetrahydroxy-5b-cholan-24-oic is an unusual bile acid that has been identified in amniotic fluid and urine samples from adult patients with cholestatic liver disease. (PMID 2075618). 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.
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic 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. 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is an uncommon bile acid with OH groups at C-3, 6, 7, and 12 positions. (High-performance liquid chromatography of bile acids. Effect of hydroxyl groups at C-3, 6, 7 and 12 on bile acid mobility. Batta, Ashok K. Aggarwal, Suresht K. Salen, Gerald. New Jersey Med. Sch., Univ. Med. Dent., Newark, NJ, USA. Journal of Liquid Chromatography (1992), 15(3), 467-78.). 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. 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is an uncommon bile acid with OH groups at C-3, 6, 7, and 12 positions. (High-performance liquid chromatography of bile acids. Effect of hydroxyl groups at C-3, 6, 7 and 12 on bile acid mobility. Batta, Ashok K.; Aggarwal, Suresht K.; Salen, Gerald. New Jersey Med. Sch., Univ. Med. Dent., Newark, NJ, USA. Journal of Liquid Chromatography (1992), 15(3), 467-78.) [HMDB]
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic 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. 3 alpha,6 alpha,7 alpha,12 alpha-Tetrahydroxy-5 beta-cholan-24-oic acid has been identified from human meconium and healthy neonatal urine. (PMID 2743505).
1,3,7,12-Tetrahydroxycholan-24-oic acid
1,3,7,12-Tetrahydroxycholan-24-oic 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. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid
3a,4b,7a,12a-Tetrahydroxy-5b-cholanoic 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.
1b,3a,7b-Trihydroxy-5b-cholanoic acid
1b,3a,7b-Trihydroxy-5b-cholanoic 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 1, 3, and 7. 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 holesterol. 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).
3a,7b,21-Trihydroxy-5b-cholanoic acid
3a,7b,21-Trihydroxy-5b-cholanoic 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 21. 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 holesterol. 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 nterohepatic 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). 3a,7b,21-Trihydroxy-5b-cholanoic 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 21.
Alvimopan
Alvimopan is only found in individuals that have used or taken this drug. It is a peripherally selective opioid antagonist being investigated for the treatment of various gastrointestinal diseases and disorders.Alvimopan competitively binds to mu-opioid receptor in the gastrointestinal tract. Unlike methylnaltrexone (another peripherally acting mu-receptor antagonist) that bears a quaternary amine, alvimopan owes its selectivity for peripheral receptors to its kinetics. Alvimopan binds to peripheral mu-receptors with a Ki of 0.2 ng/mL and dissociates slower than most other ligands. A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AH - Peripheral opioid receptor antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist D005765 - Gastrointestinal Agents
1-heptadecanoyl-glycero-3-phosphate
C20H41O7P (424.25897660000004)
1-heptadecanoyl-glycero-3-phosphate, also known as PA(17:0/0:0), is classified as a member of the 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. 1-heptadecanoyl-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-heptadecanoyl-glycero-3-phosphate is a glycerophosphate lipid molecule
PA(8:0/8:0)
PA(8:0/8:0) is a phosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PA(16:0/16:0), in particular, consists of one chain of palmitic acid at the C-1 position and one chain of palmitic acid at the C-2 position. Phosphatidic acids are quite rare but are extremely important as intermediates in the biosynthesis of triacylglycerols and phospholipids.
Camicinal
HT-2 Toxin
L-Prolinamide, glycyl-L-prolyl-L-arginyl-
C18H32N8O4 (424.25463920000004)
Metapro
Sergolexole
1,3-Bis(4-(imidazolin-2-yl)-2-methoxyphenoxy)propane
(3R,5R)-7-[(1S,2R,3R,8S,8Ar)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
MG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/0:0)
MG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/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(0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
MG(0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/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).
Helihumulone
Apo-10-fucoxanthinal
Adunctin E
Licoricidin
Licoricidin is a member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2 and 4, a methoxy group at position 5 and prenyl groups at positions 6 and 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity. It has a role as an antibacterial agent and a plant metabolite. It is a member of hydroxyisoflavans, an aromatic ether and a methoxyisoflavan. Licoricidin is a natural product found in Glycyrrhiza, Glycyrrhiza glabra, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). A member of the class of hydroxyisoflavans that is R-isoflavan with hydroxy groups at positions 7, 2 and 4, a methoxy group at position 5 and prenyl groups at positions 6 and 3. Isolated from Glycyrrhiza uralensis, it exhibits antibacterial activity.
(rel 5S,6R,8R,9R,10S,13S,15S,16R)-6-acetoxy-9,13;15,16-diepoxy-15,16-dimethoxylabdane
(1S,5S,6R,7R,8R,9S,10S,11R)-8,9-epoxy-1-ethoxy-2-oxo-5-angeloxyxanthan-6,12-olide
hostmanin C|rel-2-hydroxy-4-methoxy-5,6-O-(4-isopropyl-1-methyl-cyclohexan-1-ol-5,6-O-yl)dihydrochalcone
(3beta,6beta,10beta)-3-acetyl-8,10-dihydroxy-6-(2-methyl-1-oxobutoxy)eremophil-7(11)-eno-12,8-lactone|(4S,4aS,5R,6S,8aS,9aS)-6-(acetyloxy)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-8a,9a-dihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl 2-methylbutanoate|6beta-(2-methylbutanoyloxy)-3beta-acetoxy-8beta,10beta-dihydroxyeremophil-7(11)-en-12,8-olide
2-carboxy-5,4-dihydroxy-3-methoxy-4,6-di-(3-methyl-2-butenyl)bibenzyl
2-((2E,6E,10E)-5,13-dioxo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-6-methylhydroquinone|2-<(2E,6E,10E)-5,13-dioxo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>-6-methylhydroquinone|l5-Ketone,13-oxo-2-(5-Hydoxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzendiol
7beta,15-dihydroxy-17-succinyloxy-ent-cleroda-3-ene
(R)-2-ethyl-3-methyl-butyl rutinoside|(R)-2-ethyl-3-methylbutyl beta-rutinoside
4-O-acetyl-6beta,9beta-dihydroxypulchellin-2-O-<2-methylbutyrate>
7,3,4-trihydroxy-6-methoxy-8,2-di(3-methyl-2-butenyl)-(2S)-flavan
3alpha-acetoxy-15-O-methylleopersin C|rel-(2R,3R,3R,4aS,5S,5R,6R,8aS)-dodecahydro-3-hydroxy-5-methoxy-2,5,5,8a-tetramethyl-4-oxo-2H-dispiro[furan-3,2-furan-5,1-naphthalen]-6-yl acetate
19-Ac-9, 13-Epidioxy-2, 6, 19-trihydroxy-8(17)-labden-15, 16-olide
3-Methylbutanoic acid 4-((acetyloxy)methyl)-4a,5,6,7a-tetrahydrospiro(cyclopenta(c)pyran-7(1H),2-oxirane)-1,6-diyl ester
2,4-Dihydroxy-3,5-bis(3-methyl-2-butenyl)-6-(4-hydroxyphenethyl)benzoic acid methyl ester
nor-27-hydroxy-1-oxowitha-2,5,24-trienolide|withalongolide F
2,5-heptanediol 2-O-beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?-ethyl-2?,3?-dihydroxybutyrate|microtropin H
dracaenol C|spirost-1(2),4(5),25(27)-triene-3-one-6beta-ol
6beta-benzoyl-13beta-hydroxy-12-methyl-9(12)a,9(12)b-dihomopodocarpane-19beta-al|dulcinodal
6beta-acetoxy-7beta,9alpha-dihydroxy-15-methoxy-13(14)-labden-16,15-olide|lagopsin E
1-octyl alpha-D-arabinofuranosyl-(1->6)-beta-D-glucopyranoside
Didrovaltrate
17beta-hydroxynimbocinol|21,23-epoxy-7alpha,17beta-dihydroxy-24,25,26,27-tetranorapotirucalla-1,14,20,22-tetraene-3,16-dione|7-Deacetyl-17beta-hydroxyazadiradione
2S,3R-3-acetoxy-6-(2-acetoxyethylidene)-2-methyl-2-(4,8-dimethyl-5-hydroxy-7-nonenyl)-oxepane|9-<(2S,3R)-3-acetoxy-6-<(E)-2-acetoxyethylidene>-2-methyl-2-oxepanyl>-2,6-dimethyl-2-nonen-5-ol|9-[(2S,3R)-3-acetoxy-6-((E)-2-acetoxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethyl-2-nonen-5-ol
9-O-desacetylspathulin-2-O-2-methylbutanoate|gaigrandin
4-O-acetyl-6beta,9beta-dihydroxypulchellin-2-O-isovalerate
strongylophorine 9|strongylophorine-2 methyl ether
Kanzonol H
8beta-angeloyloxy-3beta,10beta-epoxy-3alpha-ethoxy-1beta,15-dihydroxy-4beta-H-germacran-11(13)-en-6alpha,12-olide|helivypolide J
(2E,6E,10E,14E)-1,6,10,14-tetramethyl-16-(5-methyl-3,6-dioxocyclohexa-1,4-dienyl)hexadeca-2,6,10,14-tetraenoic acid|menzoquinone
2-(1-oxo-dodeca-5,8,11,14,17(all Z)-pentaenyl)-5-methoxy-1,3-dihydroxybenzene|2-[1-oxo-dodeca-5,8,11,14,17(all Z)-pentaenyl]-5-methoxy-1,3-dihydroxybenzene|5-Me ether-(2,4,6-Trihydroxyphenyl)-5,8,11,14,17-eicosapentaen-1-one,9CI
5-hydroxy-cystofuranoquinol|5-Hydroxycystofuranoquinol
3alpha-hydroxy-8beta-acetoxy-9,13;15,16-diepoxy-15alpha-methoxylabdan-7-one|3alpha-hydroxyleoheteronone A
8beta-acetoxy-3beta-isobutyryloxy-5alpha-hydroperoxycostic acid methyl ester
1,2-dihydrobrevione A|3-oxo-14,3-oxybrevia-12,2,4-triene 1,5-lactone|brevione B
15,17-dihydroxy-7beta-succinyloxy-ent-cleroda-3-ene
15,16-diacetoxy-7alpha,18-dihydroxy-ent-cleroda-3-ene
TPEN
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D064449 - Sequestering Agents > D002614 - Chelating Agents D004791 - Enzyme Inhibitors
1b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
2b,3a,7a,12a-Tetrahydroxy-5b-cholan-24-Oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
3b,4b,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz
3a,6a,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz; In-suorce decay
3a,6b,7a,12a-Tetrahydroxy-5b-cholan-24-oic acid
[Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz; In-suorce decay
3a,6b,7b,12a-(OH)4-5b-cholanic acid
BA-91-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-91-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-91-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-91-60. 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.
3a,6b,7b,12a-(OH)4- 5b-cholanic acid
BA-91-120. 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.
3a,6a,7b,12a-Tetrahydroxy-5b-cholan-24-oic acid
BA-92-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-92-60. 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. [Analytical] Sample of 1 micorL methanol solution was flow injected.; [Mass_spectrometry] Sampling interval 1 Hz; In-suorce decay
(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
[1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Pravastatin
A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin. C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; INTERNAL_ID 659; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4302; ORIGINAL_PRECURSOR_SCAN_NO 4300 CONFIDENCE standard compound; INTERNAL_ID 659; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4318; ORIGINAL_PRECURSOR_SCAN_NO 4317 CONFIDENCE standard compound; INTERNAL_ID 659; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4275; ORIGINAL_PRECURSOR_SCAN_NO 4273 CONFIDENCE standard compound; INTERNAL_ID 659; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4300; ORIGINAL_PRECURSOR_SCAN_NO 4298 CONFIDENCE standard compound; INTERNAL_ID 659; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4285; ORIGINAL_PRECURSOR_SCAN_NO 4283 CONFIDENCE standard compound; INTERNAL_ID 659; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4291; ORIGINAL_PRECURSOR_SCAN_NO 4289 CONFIDENCE standard compound; INTERNAL_ID 2342 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8558
C22H32O8_(3beta,4alpha,8alpha)-15-Acetoxy-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
C22H32O8_(1S,4aS,6S,7R,7aS)-6-Acetoxy-4-{[(3-methylbutanoyl)oxy]methyl}-4a,5,6,7a-tetrahydro-1H-spiro[cyclopenta[c]pyran-7,2-oxiran]-1-yl 3-methylbutanoate
[(1S,6S,7R)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2-oxirane]-4-yl]methyl 3-methylbutanoate
HT-2 Toxin
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
3a,6a,7b,12a-(OH)4-5a-cholanic acid
BA-101-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-101-120. 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-101-90. 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.
Polyanthinin
Origin: Plant, Coumarins
Badrakemin acetate
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol [IIN-based: Match]
(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol [IIN-based on: CCMSLIB00000849092]
4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol [IIN-based on: CCMSLIB00000848895]
(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol [IIN-based: Match]
(R)-4-((1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5S,6S,7R,8R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,6R,7S,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((1R,3S,5S,7R,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5S,6R,7R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3R,5R,6R,7S,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((2S,3S,5R,7R,9S,10S,12S,13R,14S,17R)-2,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Ala His Val Val
Ala Val His Val
Ala Val Val His
Gly His Ile Val
Gly His Leu Val
Gly His Val Ile
Gly His Val Leu
Gly Ile His Val
Gly Ile Val His
Gly Leu His Val
Gly Leu Val His
Gly Val His Ile
Gly Val His Leu
Gly Val Ile His
Gly Val Leu His
His Ala Val Val
His Gly Ile Val
His Gly Leu Val
His Gly Val Ile
His Gly Val Leu
His Ile Gly Val
His Ile Val Gly
His Leu Gly Val
His Leu Val Gly
His Val Ala Val
His Val Gly Ile
His Val Gly Leu
His Val Ile Gly
His Val Leu Gly
His Val Val Ala
Ile Gly His Val
Ile Gly Val His
Ile His Gly Val
Ile His Val Gly
Ile Pro Pro Val
Ile Pro Val Pro
Ile Val Gly His
Ile Val His Gly
Ile Val Pro Pro
Leu Gly His Val
Leu Gly Val His
Leu His Gly Val
Leu His Val Gly
Leu Pro Pro Val
Leu Pro Val Pro
Leu Val Gly His
Leu Val His Gly
Leu Val Pro Pro
Pro Ile Pro Val
Pro Ile Val Pro
Pro Leu Pro Val
Pro Leu Val Pro
Pro Pro Ile Val
Pro Pro Leu Val
Pro Pro Val Ile
Pro Pro Val Leu
Pro Val Ile Pro
Pro Val Leu Pro
Pro Val Pro Ile
Pro Val Pro Leu
Val Ala His Val
Val Ala Val His
1-heptadecanoyl-sn-glycerol 3-phosphate
C20H41O7P (424.25897660000004)
Val Gly His Ile
Val Gly His Leu
Val Gly Ile His
Val Gly Leu His
Val His Ala Val
Val His Gly Ile
Val His Gly Leu
Val His Ile Gly
Val His Leu Gly
Val His Val Ala
Val Ile Gly His
Val Ile His Gly
Val Ile Pro Pro
Val Leu Gly His
Val Leu His Gly
Val Leu Pro Pro
Val Pro Ile Pro
Val Pro Leu Pro
Val Pro Pro Ile
Val Pro Pro Leu
Val Val Ala His
Val Val His Ala
Alvimopan
A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AH - Peripheral opioid receptor antagonists C78272 - Agent Affecting Nervous System > C681 - Opiate Antagonist D005765 - Gastrointestinal Agents
8b-Angeloyloxy-15-hydroxy-1a,10R-dimethoxy-3-oxo-11(13)-germacren-12,6a-olide
heliocide B2
FA 22:6;O6
hbas#10
A 4-O-(p-hydroxybenzoyl)ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(ii)
1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-PIPERIDINE
C24H29FN4O2 (424.22744259999996)
4-BOC-AMINO-1-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YL]-PIPERIDINE
C24H29FN4O2 (424.22744259999996)
2-(1,1-Dimethylpropyl)-4-[3-(1,1-dimethylpropyl)-4-oxo-1(4H)-naphthalenylidene]-1(4H)-naphthalenone
1-methyl-3-tetradecylimidazol-1-ium,hexafluorophosphate
C18H35F6N2P (424.24419120000005)
H-Gly-Pro-Arg-Pro-NH2 acetate salt
C18H32N8O4 (424.25463920000004)
tris(tert-butyldimethylsilyl) phosphite
C18H45O3PSi3 (424.24139900000006)
(Z)-1-[4-[1-hydroxy-1-(4-propan-2-ylsulfanylphenyl)propan-2-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
sodium dehydrocholate
C24H33NaO5 (424.22255680000006)
Dehydrocholic sodium is a hydrocholeretic, increasing bile output to clear increased bile acid load.
(S)-2-{1-[2-(benzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide
N5-[Bis(methylamino)methylene]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine
1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride
Metapro
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2143 - Endothelial Cell Inhibitor
withalongolide F
A steroid lactone that is a 4-norwithanolide with a 2,5-dien-1-one system isolated from the aerial parts of Physalis longifolia.
(8R)-8-[[3,6-Dideoxy-4-O-(4-hydroxybenzoyl)-alpha-L-arabino-hexopyranosyl]oxy]nonanoic acid
(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester
C23H37O5P (424.23784820000003)
Mephentermine sulfate
C22H36N2O4S (424.23956560000005)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
[1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
2-hydroxy-3-methoxy-7,10a-dimethyl-8-(3-methylbut-2-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde
2-hydroxy-3-methoxy-6,10a-dimethyl-5-(3-methylbut-2-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde
2-hydroxy-3-methoxy-10a-methyl-6-(4-methylpent-3-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde
(3R,5R)-7-[(1S,2R,3R,8S,8Ar)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
[(2R,4S,10R,11S)-2-(acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-4-yl] 3-methylbutanoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
[3-carboxy-2-[(6E,9E,12E)-15-carboxypentadeca-6,9,12-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E,11E)-15-carboxypentadeca-5,8,11-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2Z,6E,10E)-15-carboxypentadeca-2,6,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E,9E)-15-carboxypentadeca-2,5,9-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,9E,12E)-15-carboxypentadeca-3,9,12-trienoyl]oxypropyl]-trimethylazanium
N-[3-(4-methyl-1-piperazinyl)propyl]-4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
(2E,6E)-9-[(2S)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
(2E,6E)-9-[(2R)-6-hydroxy-2,8-dimethylchromen-2-yl]-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoic acid
(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
[(3aS,4S,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
[(3aS,4S,9bS)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4R,9bS)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4S,9bR)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aR,4R,9bR)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
1-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
1-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-propan-2-ylurea
N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
N-[2-[(2R,5S,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5R,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2R,5S,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
[(3aS,4R,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-[[methyl(propyl)amino]methyl]-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
N-[2-[(2R,5R,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5S,6S)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5S,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
N-[2-[(2S,5R,6R)-5-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
[(3aR,4R,9bS)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
[(3aR,4S,9bS)-8-(3-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-N-methylacetamide
[(2R,3S)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
[(2S,3S)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
[(2S,3R)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
[(2R,3R)-1-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C25H29FN2O3 (424.21620959999996)
1-Diazo-5-dodecoxy-2-methyl-2,3-dihydrobenzothiochromene
(3R,5R)-7-[(1S,2S,6S,8S,8aS)-6-hydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
Benzyl cyanomethyl(4-(4-(4-fluorophenyl)piperazin-1-yl)butyl)carbamate
C24H29FN4O2 (424.22744259999996)
1-Heptadecanoyl-rac-glycerol-3-phosphate
C20H41O7P (424.25897660000004)
(1S,6S,7R)-6-(Acetyloxy)-1-[(3-methylbutanoyl)oxy]-4A,5,6,7A-tetrahydro-1H-spiro[cyclopenta[C]pyran-7,2-oxiran]-4-ylmethyl 3-methylbutanoate
[3-Hydroxy-2-(pentanoylamino)nonyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
[2-(Butanoylamino)-3-hydroxydecyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
(2-Acetamido-3-hydroxydodecyl) 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
[3-Hydroxy-2-(propanoylamino)undecyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
(3R,5R)-7-[(1R,2S,6S,8R,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
[2-(Hexanoylamino)-3-hydroxyoctyl] 2-(trimethylazaniumyl)ethyl phosphate
C19H41N2O6P (424.27020960000004)
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) nonanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) decanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) tridecanoate
(2R,3R,4S,5S,6R)-2-octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Didrovaltrat
Didrovaltratum is an iridoid monoterpenoid. Didrovaltrate is a natural product found in Valeriana pulchella, Fedia cornucopiae, and other organisms with data available. See also: Viburnum opulus bark (has part). C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
Difenoxin
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07D - Antipropulsives > A07DA - Antipropulsives C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent
1,2-dioctanoyl-sn-glycero-3-phosphate
A 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Devapamil
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
1-heptadecanoyl-glycero-3-phosphate
C20H41O7P (424.25897660000004)
1-(2-aminoacetyl)-N-[1-(2-carbamoylpyrrolidin-1-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
C18H32N8O4 (424.25463920000004)
8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide
3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid
4-(5-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-[3,3-bi(1,2-dioxolan)]-5-yl)-4-hydroperoxybutanoic acid
3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester
C23H37O5P (424.23784820000003)
phosphatidic acid 16:0
A phosphatidic acid in which the two acyl groups contain a total of 16 carbons and no double bonds.
1-heptadecanoyl-sn-glycero-3-phosphate
C20H41O7P (424.25897660000004)
A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as heptadecanoyl.
c-Myc inhibitor 6
c-Myc inhibitor 6 (compound A102) is a c-Myc inhibitor. c-Myc inhibitor 6 decreases cancer cell viability and degrades c-Myc protein. c-Myc inhibitor 6 can be used for the research of c-Myc imbalance, such as cancer, cardiovascular diseases, and viral infection[1].