Exact Mass: 851.5065

Exact Mass Matches: 851.5065

Found 44 metabolites which its exact mass value is equals to given mass value 851.5065, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

alpha-Chaconine

2-{[4-hydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


alpha-Chaconine is found in potato. alpha-Chaconine is an alkaloid from Solanum chacoense and very many other Solanum species (Solanaceae Alkaloid from Solanum chacoense and very many other Solanum subspecies (Solanaceae). alpha-Chaconine is found in potato.

   

Α-chaconine

(2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-{[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl]oxy}-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-{[(5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 4-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-{[(5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 4-hydroxy-docosahexaenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-{[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 7-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-{[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 7-hydroxy-docosahexaenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-{[(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 14-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-{[(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 14-hydroxy-docosahexaenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-{[(4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 17-hydroxy-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-{[(4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 17-hydroxy-docosahexaenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))

(2-aminoethoxy)[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 16,17-epoxy-docosapentaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

(2-aminoethoxy)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoyl]oxy}propoxy]phosphinic acid

C49H74NO9P (851.5101)


PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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 diacylglycerols, phosphatidylethanolamines can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 16,17-epoxy-docosapentaenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids 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 phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

Concanamycin B

[6-[(4R)-2-[(4S)-4-[(4E,6E,11S,12R,13R,14E,16Z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate

C45H73NO14 (851.5031)


   

Palauamide

Palauamide

C46H69N5O10 (851.5044)


A 24-membered cyclodepsipeptide isolated from the cyanobacterium, Lyngbya sp. It exhibits strong cytotoxicity against KB human nasopharyngeal carcinoma cells.

   
   

alpha-Chaconine

alpha-Chaconine

C45H73NO14 (851.5031)


Annotation level-1

   

Chaconine

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


Alpha-Chaconine is a steroid saponin and a glycoalkaloid. alpha-Chaconine is a natural product found in Solanum acaule, Solanum americanum, and other organisms with data available.

   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

C49H74NO9P (851.5101)


   

PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PE(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PE(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PE(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PE(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C49H74NO9P (851.5101)


   

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))

PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))

C49H74NO9P (851.5101)


   

PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PE(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C49H74NO9P (851.5101)


   

α-​Chaconine

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


   

[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6Z,9R,10S,11S,12R,13R,14E)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate

[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6Z,9R,10S,11S,12R,13R,14E)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate

C45H73NO14 (851.5031)


   

[6-[(4R)-2-[(4S)-4-[(4E,6Z,11S,12R,13R,14E)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate

[6-[(4R)-2-[(4S)-4-[(4E,6Z,11S,12R,13R,14E)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate

C45H73NO14 (851.5031)


   

ST(36:3)

ST(t18:1_18:2(2+O))

C42H77NO14S (851.5065)


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[(6-{[(4r)-2-[(4s)-4-[(4e,6e,11s,12r,13r,14e,16z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1e)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]methanimidic acid

[(6-{[(4r)-2-[(4s)-4-[(4e,6e,11s,12r,13r,14e,16z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1e)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl)oxy]methanimidic acid

C45H73NO14 (851.5031)


   

alpha-chaconine

NA

C45H73NO14 (851.5031)


{"Ingredient_id": "HBIN015450","Ingredient_name": "alpha-chaconine","Alias": "NA","Ingredient_formula": "C45H73NO14","Ingredient_Smile": "CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C","Ingredient_weight": "852.1 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "11233;11234;11235;11236;19488;21490;21491","PubChem_id": "129627776","DrugBank_id": "NA"}

   

{[(2r,3s,4r,6r)-6-{[(2r,4r,5s,6r)-2-[(2s,3r,4s)-4-[(2r,3s,4e,6e,9r,10s,11s,12r,13r,14e,16z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1e)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}methanimidic acid

{[(2r,3s,4r,6r)-6-{[(2r,4r,5s,6r)-2-[(2s,3r,4s)-4-[(2r,3s,4e,6e,9r,10s,11s,12r,13r,14e,16z)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(1e)-prop-1-en-1-yl]oxan-4-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}methanimidic acid

C45H73NO14 (851.5031)


   

12-benzyl-8,17-dihydroxy-24-(3-hydroxyoct-7-yn-2-yl)-3,4,10,13,15,21-hexamethyl-18-(2-methylpropyl)-6-(sec-butyl)-1,19-dioxa-4,7,10,13,16-pentaazacyclotetracosa-7,16,21-triene-2,5,11,14,20-pentone

12-benzyl-8,17-dihydroxy-24-(3-hydroxyoct-7-yn-2-yl)-3,4,10,13,15,21-hexamethyl-18-(2-methylpropyl)-6-(sec-butyl)-1,19-dioxa-4,7,10,13,16-pentaazacyclotetracosa-7,16,21-triene-2,5,11,14,20-pentone

C46H69N5O10 (851.5044)


   

(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


   

(2s,3r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4-hydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4-hydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2s,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


   

({6-[(2-{4-[(4z,6z,14z,16e)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl}-2-hydroxy-5-methyl-6-[(1e)-prop-1-en-1-yl]oxan-4-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)methanimidic acid

({6-[(2-{4-[(4z,6z,14z,16e)-10,12-dihydroxy-3,17-dimethoxy-7,9,11,13,15-pentamethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl}-2-hydroxy-5-methyl-6-[(1e)-prop-1-en-1-yl]oxan-4-yl)oxy]-4-hydroxy-2-methyloxan-3-yl}oxy)methanimidic acid

C45H73NO14 (851.5031)


   

(2s,3r,4r,5r,6s)-2-{[(2r,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-{[(2s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-{[(2r,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-{[(2s,10r,11s,14s,15r,16s,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C45H73NO14 (851.5031)


   

(3s,6s,12r,15s,18r,21e,24s)-12-benzyl-6-[(2r)-butan-2-yl]-8,17-dihydroxy-24-[(2r,3r)-3-hydroxyoct-7-yn-2-yl]-3,4,10,13,15,21-hexamethyl-18-(2-methylpropyl)-1,19-dioxa-4,7,10,13,16-pentaazacyclotetracosa-7,16,21-triene-2,5,11,14,20-pentone

(3s,6s,12r,15s,18r,21e,24s)-12-benzyl-6-[(2r)-butan-2-yl]-8,17-dihydroxy-24-[(2r,3r)-3-hydroxyoct-7-yn-2-yl]-3,4,10,13,15,21-hexamethyl-18-(2-methylpropyl)-1,19-dioxa-4,7,10,13,16-pentaazacyclotetracosa-7,16,21-triene-2,5,11,14,20-pentone

C46H69N5O10 (851.5044)