Exact Mass: 479.28962520000005
Exact Mass Matches: 479.28962520000005
Found 500 metabolites which its exact mass value is equals to given mass value 479.28962520000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Delcorine
C26H41NO7 (479.28828760000005)
Delcorine is a diterpenoid.
Lythramine
C29H37NO5 (479.26715920000004)
A piperidine alkaloid that is lythranidine with the hydroxy group C-10 esterified into an acetate and a methylene bridge formed between the hydroxy at C-9 and the piperidine nitrogen.
Cytochalasin B
C29H37NO5 (479.26715920000004)
An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Cytochalasin B is a cell-permeable mycotoxin binding to the barbed end of actin filaments, disrupting the formation of actin polymers, with Kd value of 1.4-2.2 nM for F-actin. Cytochalasin B blocks cell migration.
LysoPE(18:1(9Z)/0:0)
LysoPE(18:1(9Z)/0:0) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms.
PC-M5
C29H37NO5 (479.26715920000004)
Tremorgenic mycotoxin from Penicillium crustosum. Tremorgenic mycotoxin from Penicillium crustosum
LysoPE(18:1(11Z)/0:0)
LysoPE(18:1(11Z)/0:0) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms. [HMDB] LysoPE(18:1(11Z)/0:0) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms.
LysoPE(0:0/18:1(11Z))
LysoPE(0:0/18:1(11Z)) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms. [HMDB] LysoPE(0:0/18:1(11Z)) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms.
LysoPE(0:0/18:1(9Z))
LysoPE(0:0/18:1(9Z)) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms. [HMDB] LysoPE(0:0/18:1(9Z)) is a lysophosphatidylethanolamine or a lysophospholipid. The term lysophospholipid (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix lyso- comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylethanolamines (LPEs) can function as plant growth regulators with several diverse uses. (LPEs) are approved for outdoor agricultural use to accelerate ripening and improve the quality of fresh produce. They are also approved for indoor use to preserve stored crops and commercial cut flowers. As a breakdown product of phosphatidylethanolamine (PE), LPE is present in cells of all organisms.
(5Z,8Z,10E,12S,14Z)-12-Hydroperoxyicosa-5,8,10,14-tetraenoylcarnitine
(5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoylcarnitine is an acylcarnitine. More specifically, it is an (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic 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. (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoylcarnitine
(5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoylcarnitine is an acylcarnitine. More specifically, it is an (5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoylcarnitine
7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoylcarnitine is an acylcarnitine. More specifically, it is an 7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 7-[(1R)-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-{2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoylcarnitine
7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoylcarnitine is an acylcarnitine. More specifically, it is an 7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine 7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(5Z,8Z,11Z,13E,15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoylcarnitine
(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoylcarnitine is an acylcarnitine. More specifically, it is an (5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic 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. (5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(5Z,8Z)-10-{3-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]oxiran-2-yl}deca-5,8-dienoylcarnitine
(5Z,8Z)-10-{3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxiran-2-yl}deca-5,8-dienoylcarnitine is an acylcarnitine. More specifically, it is an (5Z,8Z)-10-{3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxiran-2-yl}deca-5,8-dienoic 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. (5Z,8Z)-10-{3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxiran-2-yl}deca-5,8-dienoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z,8Z)-10-{3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxiran-2-yl}deca-5,8-dienoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Cholylalanine
Cholylalanine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Cholylalanine consists of the bile acid cholic acid conjugated to the amino acid Alanine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Cholylalanine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Cholylalanine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Chenodeoxycholylserine
Chenodeoxycholylserine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Chenodeoxycholylserine consists of the bile acid chenodeoxycholic acid conjugated to the amino acid Serine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Chenodeoxycholylserine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Chenodeoxycholylserine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Deoxycholylserine
Deoxycholylserine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Deoxycholylserine consists of the bile acid deoxycholic acid conjugated to the amino acid Serine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Deoxycholylserine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Deoxycholylserine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
Cytochalasin B
C29H37NO5 (479.26715920000004)
Lanopepden
C22H34FN7O4 (479.26561760000004)
Cholylsarcosine
Derquantel
C28H37N3O4 (479.27839220000004)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
14-acetylneoline|14-O-acetylneoline|bullatine C|delstaphisagnine
C26H41NO7 (479.28828760000005)
14-O-acetyl-10-hydroxytalatisamine
C26H41NO7 (479.28828760000005)
(13E,21E)-(7S,16R,20R)-7,20-dihydroxy-16-methyl-10-phenyl-24-oxa-[14]cytochalasa-5,13,21-triene-1,23-dione
C29H37NO5 (479.26715920000004)
2,3-Dihydroxypropyl 2-[(octadec-9-enoyl)amino]ethyl hydrogen phosphate
Ser Phe Val Lys
MLS002153941-01!Delcorine52358-55-1
C26H41NO7 (479.28828760000005)
C29H37NO5_4bH-1-Benzopyrano[5,6:6,7]indeno[1,2-b]indole-3,4b-diol, 2,3,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, 3-acetate, (2S,3R,4bS,6aS,12bS,12cR,14aS)
C29H37NO5 (479.26715920000004)
LPE 18:1
Annotation level-3 Annotation level-2
Ala Ala Arg Tyr
C21H33N7O6 (479.24921980000005)
Ala Ala Tyr Arg
C21H33N7O6 (479.24921980000005)
Ala Phe Arg Ser
C21H33N7O6 (479.24921980000005)
Ala Phe Ser Arg
C21H33N7O6 (479.24921980000005)
Ala His Pro Arg
C20H33N9O5 (479.26045280000005)
Ala His Arg Pro
C20H33N9O5 (479.26045280000005)
Ala Lys Val Tyr
Ala Lys Tyr Val
Ala Pro His Arg
C20H33N9O5 (479.26045280000005)
Ala Pro Arg His
C20H33N9O5 (479.26045280000005)
Ala Arg Ala Tyr
C21H33N7O6 (479.24921980000005)
Ala Arg Phe Ser
C21H33N7O6 (479.24921980000005)
Ala Arg His Pro
C20H33N9O5 (479.26045280000005)
Ala Arg Pro His
C20H33N9O5 (479.26045280000005)
Ala Arg Ser Phe
C21H33N7O6 (479.24921980000005)
Ala Arg Tyr Ala
C21H33N7O6 (479.24921980000005)
Ala Ser Phe Arg
C21H33N7O6 (479.24921980000005)
Ala Ser Arg Phe
C21H33N7O6 (479.24921980000005)
Ala Val Lys Tyr
Ala Val Tyr Lys
Ala Tyr Ala Arg
C21H33N7O6 (479.24921980000005)
Ala Tyr Lys Val
Ala Tyr Arg Ala
C21H33N7O6 (479.24921980000005)
Ala Tyr Val Lys
Phe Ala Arg Ser
C21H33N7O6 (479.24921980000005)
Phe Ala Ser Arg
C21H33N7O6 (479.24921980000005)
Phe Gly Arg Thr
C21H33N7O6 (479.24921980000005)
Phe Gly Thr Arg
C21H33N7O6 (479.24921980000005)
Phe Lys Ser Val
Phe Lys Val Ser
Phe Arg Ala Ser
C21H33N7O6 (479.24921980000005)
Phe Arg Gly Thr
C21H33N7O6 (479.24921980000005)
Phe Arg Ser Ala
C21H33N7O6 (479.24921980000005)
Phe Arg Thr Gly
C21H33N7O6 (479.24921980000005)
Phe Ser Ala Arg
C21H33N7O6 (479.24921980000005)
Phe Ser Lys Val
Phe Ser Arg Ala
C21H33N7O6 (479.24921980000005)
Phe Ser Val Lys
Phe Val Lys Ser
Phe Val Ser Lys
Gly Ile Lys Tyr
Gly Ile Tyr Lys
Gly Lys Ile Tyr
Gly Lys Leu Tyr
Gly Lys Tyr Ile
Gly Lys Tyr Leu
Gly Leu Lys Tyr
Gly Leu Tyr Lys
Gly Tyr Ile Lys
Gly Tyr Lys Ile
Gly Tyr Lys Leu
Gly Tyr Leu Lys
His Ala Pro Arg
C20H33N9O5 (479.26045280000005)
His Ala Arg Pro
C20H33N9O5 (479.26045280000005)
His Lys Pro Val
His Lys Val Pro
His Pro Ala Arg
C20H33N9O5 (479.26045280000005)
His Pro Lys Val
His Pro Arg Ala
C20H33N9O5 (479.26045280000005)
His Pro Val Lys
His Arg Ala Pro
C20H33N9O5 (479.26045280000005)
His Arg Pro Ala
C20H33N9O5 (479.26045280000005)
His Val Lys Pro
His Val Pro Lys
Ile Gly Lys Tyr
Ile Gly Tyr Lys
Ile Lys Gly Tyr
Ile Lys Tyr Gly
Ile Tyr Gly Lys
Ile Tyr Lys Gly
Lys Ala Val Tyr
Lys Ala Tyr Val
Lys Phe Ser Val
Lys Phe Val Ser
Lys Gly Ile Tyr
Lys Gly Leu Tyr
Lys Gly Tyr Ile
Lys Gly Tyr Leu
Lys His Pro Val
Lys His Val Pro
Lys Ile Gly Tyr
Lys Ile Tyr Gly
Lys Leu Gly Tyr
Lys Leu Tyr Gly
Lys Pro His Val
Lys Pro Val His
Lys Ser Phe Val
Lys Ser Val Phe
Lys Val Ala Tyr
Lys Val Phe Ser
Lys Val His Pro
Lys Val Pro His
Lys Val Ser Phe
Lys Val Tyr Ala
Lys Tyr Ala Val
Lys Tyr Gly Ile
Lys Tyr Gly Leu
Lys Tyr Ile Gly
Lys Tyr Leu Gly
Lys Tyr Val Ala
Leu Gly Lys Tyr
Leu Gly Tyr Lys
Leu Lys Gly Tyr
Leu Lys Tyr Gly
Leu Tyr Gly Lys
Leu Tyr Lys Gly
Pro Ala His Arg
C20H33N9O5 (479.26045280000005)
Pro Ala Arg His
C20H33N9O5 (479.26045280000005)
Pro His Ala Arg
C20H33N9O5 (479.26045280000005)
Pro His Lys Val
Pro His Arg Ala
C20H33N9O5 (479.26045280000005)
Pro His Val Lys
Pro Lys His Val
Pro Lys Val His
Pro Arg Ala His
C20H33N9O5 (479.26045280000005)
Pro Arg His Ala
C20H33N9O5 (479.26045280000005)
Pro Val His Lys
Pro Val Lys His
1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, cis- glucuronide
1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-phenyl-, trans- glucuronide
Arg Ala His Pro
C20H33N9O5 (479.26045280000005)
Arg Ala Pro His
C20H33N9O5 (479.26045280000005)
Arg His Ala Pro
C20H33N9O5 (479.26045280000005)
Arg His Pro Ala
C20H33N9O5 (479.26045280000005)
Arg Pro Ala His
C20H33N9O5 (479.26045280000005)
Arg Pro His Ala
C20H33N9O5 (479.26045280000005)
Ser Phe Lys Val
Ser Lys Phe Val
Ser Lys Val Phe
Ser Val Phe Lys
Ser Val Lys Phe
Val Ala Lys Tyr
Val Ala Tyr Lys
Val Phe Lys Ser
Val Phe Ser Lys
Val His Lys Pro
Val His Pro Lys
Val Lys Ala Tyr
Val Lys Phe Ser
Val Lys His Pro
Val Lys Pro His
Val Lys Ser Phe
Val Lys Tyr Ala
Val Pro His Lys
Val Pro Lys His
Val Ser Phe Lys
Val Ser Lys Phe
Val Tyr Ala Lys
Val Tyr Lys Ala
Tyr Ala Lys Val
Tyr Ala Val Lys
Tyr Gly Ile Lys
Tyr Gly Lys Ile
Tyr Gly Lys Leu
Tyr Gly Leu Lys
Tyr Ile Gly Lys
Tyr Ile Lys Gly
Tyr Lys Ala Val
Tyr Lys Gly Ile
Tyr Lys Gly Leu
Tyr Lys Ile Gly
Tyr Lys Leu Gly
Tyr Lys Val Ala
Tyr Leu Gly Lys
Tyr Leu Lys Gly
Tyr Val Ala Lys
Tyr Val Lys Ala
PE(18:1/0:0)
A lysophosphatidylethanolamine 18:1 in which the acyl group is located at position 1.
PE(18:1/0:0)[U]
Glycerophospho-N-Oleoyl Ethanolamine
PC-M5'
C29H37NO5 (479.26715920000004)
1H-Benzimidazole-5-carboxylic acid, 2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-, ethyl ester
C26H33N5O4 (479.25324180000007)
Azepino[4,5-b]indole-5-carboxylic acid, 9-[bis(phenylmethyl)amino]-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester
C31H33N3O2 (479.25726380000003)
Azepino[4,5-b]indole-5-carboxylic acid, 8-[bis(phenylmethyl)amino]-1,2,3,6-tetrahydro-1,1-dimethyl-, ethyl ester
C31H33N3O2 (479.25726380000003)
1,3,4,6-TETRA-O-ACETYL-2-DEOXY-2-FLUORO--ALFA-D-GLUCOSE
1-Oleoyl phosphatidylethanolamine
A phosphatidylethanolamine in which the phosphatidyl acyl group at C-1 is oleoyl.
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] octadec-9-enoate
a 1-acyl-sn-glycero-3-phosphoethanolamine (n-C18:1)
a 2-acyl-sn-glycero-3-phosphoethanolamine (n-C18:1)
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] octadec-7-enoate
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (E)-octadec-11-enoate
(5Z,8Z,10E,12S,14Z)-12-Hydroperoxyicosa-5,8,10,14-tetraenoylcarnitine
(5Z,8Z,11Z,13E,15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoylcarnitine
(5Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoylcarnitine
7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]heptanoylcarnitine
7-{2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoylcarnitine
(5Z,8Z)-10-{3-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]oxiran-2-yl}deca-5,8-dienoylcarnitine
2-azaniumylethyl (2R)-3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propyl phosphate
3-(Diphenylmethylene)-1-[4-(4-phenyl-1-piperazinyl)butyl]pyrrolidine-2,5-dione
C31H33N3O2 (479.25726380000003)
1-[1-({(3r,4s)-3-[(5-Butyl-1,2-oxazol-3-yl)methyl]-4-piperidinyl}acetyl)-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one
C27H37N5O3 (479.28962520000005)
(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C29H41N3O3 (479.3147756000001)
2-(dimethylamino)-N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
1-[[(2S,3R)-8-(3-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C29H41N3O3 (479.3147756000001)
N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7R,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
C28H37N3O4 (479.27839220000004)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
C28H37N3O4 (479.27839220000004)
(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C28H34FN3O3 (479.25840660000006)
2-(dimethylamino)-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
1-[[(2R,3R)-8-(3-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
1-[[(2S,3S)-8-(3-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
1-[[(2R,3S)-8-(3-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
1-[[(2S,3R)-8-(3-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
1-[[(2S,3S)-8-(3-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
1-[[(2R,3R)-8-(3-cyanophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
1-[[(2R,3S)-8-(3-cyanophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
C26H33N5O4 (479.25324180000007)
2-(dimethylamino)-N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
C26H33N5O4 (479.25324180000007)
N-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7S,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide
C28H37N3O4 (479.27839220000004)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
C28H37N3O4 (479.27839220000004)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
C28H37N3O4 (479.27839220000004)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide
C28H37N3O4 (479.27839220000004)
(2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C28H34FN3O3 (479.25840660000006)
cyclobutyl-[(1S)-1-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanone
C29H41N3O3 (479.3147756000001)
cyclobutyl-[(1R)-1-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanone
C29H41N3O3 (479.3147756000001)
(1R)-1-(cyclopropylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
C26H33N5O4 (479.25324180000007)
(1S)-1-(cyclopropylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
C26H33N5O4 (479.25324180000007)
2-Azaniumylethyl (2-hydroxy-3-octadec-9-enoyloxypropyl) phosphate
(2R,3R,3aS,9bS)-1-(cyclobutanecarbonyl)-3-(hydroxymethyl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-oxo-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C26H33N5O4 (479.25324180000007)
(2S,3S,3aR,9bR)-1-(cyclobutanecarbonyl)-3-(hydroxymethyl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-oxo-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C26H33N5O4 (479.25324180000007)
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-9-enoate
Cytochalasin B-CASMI2016 Category 1-Challenge 3
C29H37NO5 (479.26715920000004)
1-Oleoyl-2-hydroxy-sn-glycero-3-phosphatidylethanolamine-d7
[2-hydroxy-3-[(Z)-pentadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[2-acetyloxy-3-[(Z)-tridec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
3-Hydroxy-2-(2-hydroxytridecanoylamino)undecane-1-sulfonic acid
C24H49NO6S (479.3280414000001)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-pentadec-9-enoxy]propan-2-yl] propanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] pentanoate
3-Hydroxy-2-(2-hydroxydodecanoylamino)dodecane-1-sulfonic acid
C24H49NO6S (479.3280414000001)
3-Hydroxy-2-(2-hydroxytetradecanoylamino)decane-1-sulfonic acid
C24H49NO6S (479.3280414000001)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoxy]propan-2-yl] butanoate
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoxy]propan-2-yl] acetate
(3S)-4alpha-[(E)-3-Hydroxy-1-octenyl]-2,3alpha-diphenylisoxazolidine-5beta-heptanoic acid
C30H41NO4 (479.30354260000007)
[1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
C22H42NO8P (479.26479020000005)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
C22H42NO8P (479.26479020000005)
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-butanoyloxypropan-2-yl] (Z)-tridec-9-enoate
C22H42NO8P (479.26479020000005)
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-9-enoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-13-enoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] octadec-17-enoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-7-enoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-6-enoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-11-enoate
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (E)-octadec-4-enoate
2-[[(E)-2-(hexanoylamino)-3-hydroxydodec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(E)-2-(heptanoylamino)-3-hydroxyundec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(E)-3-hydroxy-2-(octanoylamino)dec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[(E)-2-(butanoylamino)-3-hydroxytetradec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(E)-3-hydroxy-2-(propanoylamino)pentadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(E)-3-hydroxy-2-(nonanoylamino)non-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
2-[[(E)-2-(decanoylamino)-3-hydroxyoct-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(E)-2-acetamido-3-hydroxyhexadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(E)-3-hydroxy-2-(pentanoylamino)tridec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium
1-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine
4bH-1-Benzopyrano[5,6:6,7]indeno[1,2-b]indole-3,4b-diol, 2,3,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, 3-acetate, [2S-(2alpha,3alpha,4bbeta,6aalpha,12bbeta,12calpha,14abeta)]-
C29H37NO5 (479.26715920000004)
2-oleoyl-sn-glycero-3-phosphoethanolamine
A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as oleoyl.
2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion
A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
lysophosphatidylethanolamine 18:1
A lysophosphatidylethanolamine in which the acyl group (position not specified) contains 18 carbons and 1 double bond.
1-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion
A 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-sn-glycero-3-phosphoethanolamine.
1-Oleoyl-sn-glycero-3-phosphoethanolamine
A 1-acyl-sn-glycero-3-phosphoethanolamine in which the 1-acyl group is specified as oleoyl.
PE(18:1)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
MePC(14:1)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
LdMePE(16:1)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
[(1s,2r,3r,4s,5r,6s,8r,12s,13s,16s,19s,20r,21s)-14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl]methanol
C26H41NO7 (479.28828760000005)
methyl (2r)-2-[(2s,5r,6s)-6-[(3e,5e)-6-[(3as,4r,5r,7ar)-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoate
C30H41NO4 (479.30354260000007)
methyl (2r)-2-[(2s,5r)-6-[(3e,5e)-6-[(3as,4r,7ar)-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoate
C30H41NO4 (479.30354260000007)
(5r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(2s,3r,4s,5s)-2-{[(1s,2s,3s,4r,5r,6r)-2,4-diamino-5-{[(2s,3r,6r)-3-amino-6-[(methylamino)methyl]oxan-2-yl]oxy}-3,6-dihydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
C20H41N5O8 (479.29549860000003)
(1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r)-11-ethyl-8,9-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
(1s,2r,3r,4s,5s,6s,8s,12s,13r,16r,19s,20s)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-3-ol
C26H41NO7 (479.28828760000005)
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
(2r,3r,6s,8r,12r,16s,20r,21s)-14-ethyl-6,19,21-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-ol
C26H41NO7 (479.28828760000005)
methyl (2s)-1-{[(3s,4s,5r)-4-hydroxy-5-methyl-2-oxo-5-[(4e)-pentadec-4-en-1-yl]oxolan-3-yl]methyl}-5-oxopyrrolidine-2-carboxylate
(4e,12e)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
(1s,4z,6r,10r,12z,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
(1s,4e,7r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
akirane
C26H41NO7 (479.28828760000005)
{"Ingredient_id": "HBIN015017","Ingredient_name": "akirane","Alias": "NA","Ingredient_formula": "C26H41NO7","Ingredient_Smile": "Not Available","Ingredient_weight": "479.61","OB_score": "NA","CAS_id": "171119-09-8","SymMap_id": "NA","TCMID_id": "821","TCMSP_id": "NA","TCM_ID_id": "7072","PubChem_id": "NA","DrugBank_id": "NA"}
akirane; 6-epimer
C26H41NO7 (479.28828760000005)
{"Ingredient_id": "HBIN015018","Ingredient_name": "akirane; 6-epimer","Alias": "NA","Ingredient_formula": "C26H41NO7","Ingredient_Smile": "NA","Ingredient_weight": "479.61","OB_score": "NA","CAS_id": "161068-74-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7071","PubChem_id": "NA","DrugBank_id": "NA"}
16-benzyl-13,18-dihydroxy-9,15-dimethyl-14-methylidene-3h,4h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione
C29H37NO5 (479.26715920000004)
(5r,9r,12as,15s,15as,16s,18ar)-16-benzyl-5,18-dihydroxy-14-(hydroxymethyl)-9,15-dimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(1r,4e,6r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
(2e,4r,6r)-n-[(1's,3'r,4s,5's,7'r)-5,6'-dihydroxy-6'-(2-oxopropyl)-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodec-2-enimidic acid
C26H41NO7 (479.28828760000005)
methyl 1-{[4-hydroxy-5-methyl-2-oxo-5-(pentadec-4-en-1-yl)oxolan-3-yl]methyl}-5-oxopyrrolidine-2-carboxylate
(2z)-n-[(1's,3'r,4s,5's,7'r)-5,6'-dihydroxy-6'-(2-oxopropyl)-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodec-2-enimidic acid
C26H41NO7 (479.28828760000005)
(1r,2s,3r,4s,5r,6s,8s,9s,10r,13s,16s,17r)-11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
[(10s,13s)-5-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-11-hydroxy-10-isopropyl-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-13-yl]methyl acetate
C29H41N3O3 (479.3147756000001)
(1s,4e,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
(1r,14r,16s,20r,22s)-22-hydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
C29H37NO5 (479.26715920000004)
(1s,2r,3r,4s,5r,6s,8r,12s,13s,16s,19s,20r,21s)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
C26H41NO7 (479.28828760000005)
(2s,3s)-2-hydroxy-n-[(2s)-1-[(2s)-2-[(2s)-2-isopropyl-3-methoxy-5-oxo-2h-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-n,3-dimethylpentanamide
C25H41N3O6 (479.29952060000005)
11-ethyl-8,9-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
(2s,3r)-4-{[(7r,7ar)-7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-2-yl]methoxy}-3-hydroxy-3-(2-hydroxypropan-2-yl)-4-oxobutan-2-yl (2z)-2-methylbut-2-enoate
(9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(9r,12as,13s,15s,15as,16s,18as)-16-benzyl-13,18-dihydroxy-9,15-dimethyl-14-methylidene-3h,4h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione
C29H37NO5 (479.26715920000004)
14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
C26H41NO7 (479.28828760000005)
(6s,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(1s,2r,3r,4s,5r,6s,8r,9s,10s,13r,16s,17r,18s)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
methyl 2-(5-methyl-6-{6-[4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]hexa-3,5-dien-3-yl}oxan-2-yl)propanoate
C30H41NO4 (479.30354260000007)
(2s,3s,4s,5r,6s,8s,9s,10r,13r,16s,17r,18s)-11-ethyl-2,4-dihydroxy-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate
C26H41NO7 (479.28828760000005)
16-benzyl-5,18-dihydroxy-14-(hydroxymethyl)-9,15-dimethyl-5h,6h,7h,8h,9h,10h,12ah,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
22-hydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
C29H37NO5 (479.26715920000004)
(1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-14-ethyl-2,6-dihydroxy-4,19-dimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate
(1s,2r,3r,4s,5s,6s,8r,9r,10r,13s,16s,17r,18r)-11-ethyl-4,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate
C26H41NO7 (479.28828760000005)
20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
methyl (2r)-2-[(2s,5r,6r)-6-[(3e,5e)-6-[(3as,4r,5r,7ar)-4-(1h-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoate
C30H41NO4 (479.30354260000007)
(1s,2r,3r,4s,5r,6s,8r,9s,13s,16s,17r,18r)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
(9r,12as,13s,15as,16s,18as)-16-benzyl-13,18-dihydroxy-9,14,15-trimethyl-3h,4h,6h,7h,8h,9h,10h,12ah,13h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione
C29H37NO5 (479.26715920000004)
11-ethyl-2,8-dihydroxy-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
(1s,2r,5s,7s,8r,11s,14s)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate
C29H37NO5 (479.26715920000004)
11-ethyl-4,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl acetate
C26H41NO7 (479.28828760000005)
(2e)-n-[(1's,3'r,4s,5's,7'r)-5,6'-dihydroxy-6'-(2-oxopropyl)-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodec-2-enimidic acid
C26H41NO7 (479.28828760000005)
methyl (2s)-1-{[(3r,4s,5r)-4-hydroxy-5-methyl-2-oxo-5-[(4e)-pentadec-4-en-1-yl]oxolan-3-yl]methyl}-5-oxopyrrolidine-2-carboxylate
(1s,4s,6s,8r,12s,16s,19s,21s)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-ol
C26H41NO7 (479.28828760000005)
(5r,9r,12ar,13s,15s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
[5-(3,7-dimethylocta-1,6-dien-3-yl)-11-hydroxy-10-isopropyl-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-13-yl]methyl acetate
C29H41N3O3 (479.3147756000001)
(2s,3r,4r,5s,6s)-6-{[(1r,2s,3r,4s,6s)-4,6-diamino-3-{[(2r,3s,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol
C20H41N5O8 (479.29549860000003)
methyl (2s)-1-{[(3s,4r,5s)-4-hydroxy-5-methyl-2-oxo-5-[(4e)-pentadec-4-en-1-yl]oxolan-3-yl]methyl}-5-oxopyrrolidine-2-carboxylate
(6r,9r,12as,13s,15s,15as,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(1s,2s,3s,4r,5s,6s,8s,9s,10s,13s,16r,17s,18s)-11-ethyl-2,4-dihydroxy-6,8,16-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-yl acetate
C26H41NO7 (479.28828760000005)
(1s,4e,6r,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-6,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
2-hydroxy-n-{1-[2-(2-isopropyl-3-methoxy-5-oxo-2h-pyrrole-1-carbonyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}-n,3-dimethylpentanamide
C25H41N3O6 (479.29952060000005)
11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-yl acetate
C29H37NO5 (479.26715920000004)
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16r,17r,18r)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18s)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl acetate
C26H41NO7 (479.28828760000005)
14-ethyl-2,6-dihydroxy-4,19-dimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate
(2e,4r,6r)-n-[(1's,3'r,4r,5's,7'r)-5,6'-dihydroxy-6'-(2-oxopropyl)-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodec-2-enimidic acid
C26H41NO7 (479.28828760000005)
(1r,2r,3r,4r,5r,6r,8s,12s,13s,16r,19s,20r,21r)-14-ethyl-2,4-dihydroxy-6,19-dimethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-21-yl acetate
[(10s,13s)-5-[(3s)-3,7-dimethylocta-1,6-dien-3-yl]-11-hydroxy-10-isopropyl-9-methyl-3,9,12-triazatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1,4,6,8(15),11-pentaen-13-yl]methyl acetate
C29H41N3O3 (479.3147756000001)
(5r,9s,13s,15r,15as,16s)-16-benzyl-5,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(1s,4e,7s,10r,12e,14r,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
(1r,14r,16s,20s,22s)-22-hydroxy-5,8-dimethoxy-24-azapentacyclo[14.7.1.1²,⁶.1⁷,¹¹.0²⁰,²⁴]hexacosa-2,4,6(26),7(25),8,10-hexaen-14-yl acetate
C29H37NO5 (479.26715920000004)
2-{[2,4-diamino-5-({3-amino-6-[(methylamino)methyl]oxan-2-yl}oxy)-3,6-dihydroxycyclohexyl]oxy}-5-methyl-4-(methylamino)oxane-3,5-diol
C20H41N5O8 (479.29549860000003)
(6r,9r,12ar,13s,15s,15ar,16s,18as)-16-benzyl-6,13,18-trihydroxy-9,15-dimethyl-14-methylidene-5h,6h,7h,8h,9h,10h,12ah,13h,15h,15ah,16h-oxacyclotetradeca[3,2-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(1r,2s,3s,4s,5r,6s,8r,12r,13s,16s,19s,20r)-14-ethyl-4,6,19-trimethoxy-16-(methoxymethyl)-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-3-ol
C26H41NO7 (479.28828760000005)
(5r,9r,12as,13s,15as,16s,18as)-16-benzyl-5,13,18-trihydroxy-9,14,15-trimethyl-5h,6h,7h,8h,9h,10h,12ah,13h,15ah,16h-oxacyclotetradeca[2,3-d]isoindol-2-one
C29H37NO5 (479.26715920000004)
(1s,4e,7s,10r,12e,14s,15s,17r,18s,19s,20s)-20-benzyl-7,22-dihydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹⁹.0¹⁵,¹⁷]docosa-4,12,21-trien-3-one
C29H37NO5 (479.26715920000004)
16-benzyl-13,18-dihydroxy-9,14,15-trimethyl-3h,4h,6h,7h,8h,9h,10h,12ah,13h,15ah,16h-oxacyclotetradeca[2,3-d]isoindole-2,5-dione
C29H37NO5 (479.26715920000004)