Exact Mass: 834.4319062

Exact Mass Matches: 834.4319062

Found 102 metabolites which its exact mass value is equals to given mass value 834.4319062, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

25-Desacetyl rifapentine

26-{[(4-cyclopentylpiperazin-1-yl)imino]methyl}-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25(29),26-octaene-6,23-dione

C45H62N4O11 (834.4414862)


   

PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/6 keto-PGF1alpha)

[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoyl}oxy)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy]phosphonic acid

C45H71O12P (834.4682895999999)


PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/6 keto-PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/6 keto-PGF1alpha), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 6-Keto-prostaglandin F1alpha 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(6 keto-PGF1alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanoyl}oxy)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy]phosphonic acid

C45H71O12P (834.4682895999999)


PA(6 keto-PGF1alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(6 keto-PGF1alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 6-Keto-prostaglandin F1alpha 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/TXB2)

[(2R)-2-{[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoyl]oxy}-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy]phosphonic acid

C45H71O12P (834.4682895999999)


PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/TXB2) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/TXB2), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of Thromboxane B2 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(TXB2/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

[(2R)-3-{[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoyl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy]phosphonic acid

C45H71O12P (834.4682895999999)


PA(TXB2/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(TXB2/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one Thromboxane B2 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PGP(i-12:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(i-12:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-12:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)), in particular, consists of one chain of one 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-12:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-12:0), in particular, consists of one chain of one 4-hydroxy-docosahexaenoyl at the C-1 position and one chain of 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-12:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(i-12:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-12:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)), in particular, consists of one chain of one 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(4Z,8Z,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-12:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-12:0), in particular, consists of one chain of one 7-hydroxy-docosahexaenoyl at the C-1 position and one chain of 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-12:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(i-12:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-12:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)), in particular, consists of one chain of one 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-12:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-12:0), in particular, consists of one chain of one 14-hydroxy-docosahexaenoyl at the C-1 position and one chain of 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-12:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(i-12:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-12:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)), in particular, consists of one chain of one 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(4Z,7Z,10Z,13E,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/i-12:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/i-12:0), in particular, consists of one chain of one 17-hydroxy-docosahexaenoyl at the C-1 position and one chain of 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-12:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methylundecanoyl)oxy]-2-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(i-12:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-12:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)), in particular, consists of one chain of one 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(10-methylundecanoyl)oxy]-3-{[(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C40H68O14P2 (834.4084088000001)


PGP(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0), in particular, consists of one chain of one 16,17-epoxy-docosapentaenoyl at the C-1 position and one chain of 10-methylundecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   
   
   
   
   
   
   
   
   
   
   

3-O-(6-butyl ester)-beta-D-glucuropyranosyl-30-norolean-12,20(29)-dien-28-oic acid-28-O-beta-D-glucopyranoside|bigelovii A

3-O-(6-butyl ester)-beta-D-glucuropyranosyl-30-norolean-12,20(29)-dien-28-oic acid-28-O-beta-D-glucopyranoside|bigelovii A

C45H70O14 (834.476532)


   

Cimimanol F

3beta,11beta,dihydroxy-16,23-dione-24R,25-epoxy-cyclo-lanost-7-en-16one-3-O-(beta-d-xylopyranosyl-(1-3)-2-malonyl-beta-d-xylopyranoside

C43H62O16 (834.4037652)


   

(7S,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione

(7S,11S,12S,13S,14R,15R,16R,17S,18S,19Z,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione

C45H62N4O11 (834.4414862)


   

(9Z,19Z,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione

(9Z,19Z,21Z)-26-[(E)-(4-cyclopentylpiperazin-1-yl)iminomethyl]-2,13,15,17,27,29-hexahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaene-6,23-dione

C45H62N4O11 (834.4414862)


   

PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/TXB2)

PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/TXB2)

C45H71O12P (834.4682895999999)


   

PA(TXB2/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PA(TXB2/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C45H71O12P (834.4682895999999)


   

PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/6 keto-PGF1alpha)

PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/6 keto-PGF1alpha)

C45H71O12P (834.4682895999999)


   

PA(6 keto-PGF1alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PA(6 keto-PGF1alpha/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C45H71O12P (834.4682895999999)


   

PGP(i-12:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

PGP(i-12:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

C40H68O14P2 (834.4084088000001)


   

PGP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-12:0)

PGP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/i-12:0)

C40H68O14P2 (834.4084088000001)


   

PGP(i-12:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

PGP(i-12:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7))

C40H68O14P2 (834.4084088000001)


   

PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-12:0)

PGP(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-12:0)

C40H68O14P2 (834.4084088000001)


   

PGP(i-12:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

PGP(i-12:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))

C40H68O14P2 (834.4084088000001)


   

PGP(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-12:0)

PGP(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/i-12:0)

C40H68O14P2 (834.4084088000001)


   

PGP(i-12:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

PGP(i-12:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))

C40H68O14P2 (834.4084088000001)


   

PGP(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/i-12:0)

PGP(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/i-12:0)

C40H68O14P2 (834.4084088000001)


   

PGP(i-12:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))

PGP(i-12:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))

C40H68O14P2 (834.4084088000001)


   

PGP(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0)

PGP(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-12:0)

C40H68O14P2 (834.4084088000001)


   
   
   
   
   
   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C45H71O12P (834.4682895999999)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C45H71O12P (834.4682895999999)


   

[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C45H71O12P (834.4682895999999)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C45H71O12P (834.4682895999999)


   

[3,4,5-trihydroxy-6-[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

[3,4,5-trihydroxy-6-[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[6-[2,3-bis[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[6-[2,3-bis[[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[6-[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[6-[3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[6-[3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[6-[3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[(2S,3S,6S)-6-[(2S)-2,3-bis[[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[(2S)-2,3-bis[[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[(2S,3S,6S)-6-[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-3-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E)-nonadeca-7,10,13,16-tetraenoate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,10E,13E,16E)-nonadeca-7,10,13,16-tetraenoate

C44H67O13P (834.4319062)


   

[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[(2S,3S,6S)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(5E,8E,11E)-icosa-5,8,11-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[(2S,3S,6S)-6-[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoate

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4E,7E,10E,13E,16E)-nonadeca-4,7,10,13,16-pentaenoate

C44H67O13P (834.4319062)


   

[(2S,3S,6S)-6-[(2S)-2,3-bis[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[(2S)-2,3-bis[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   

[(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-3,4,5-trihydroxy-6-[(2S)-2-[(6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

C45H70O12S (834.4587740000001)


   
   
   
   
   
   
   
   
   
   
   

(2s,3r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-2,5,11,14-tetrahydroxy-6-(c-hydroxycarbonimidoylmethyl)-12-isopropyl-7-methyl-8-oxo-9-(3-phenylpropyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-methylpentanoic acid

(2s,3r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-2,5,11,14-tetrahydroxy-6-(c-hydroxycarbonimidoylmethyl)-12-isopropyl-7-methyl-8-oxo-9-(3-phenylpropyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-methylpentanoic acid

C43H62N8O9 (834.4639522)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,2r,4as,6as,6br,8r,8ar,9r,10r,11r,12ar,12br,14bs)-1,8,10,11-tetrahydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(3,4,5-trihydroxybenzoyloxy)methyl]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1r,2r,4as,6as,6br,8r,8ar,9r,10r,11r,12ar,12br,14bs)-1,8,10,11-tetrahydroxy-1,2,6a,6b,9,12a-hexamethyl-9-[(3,4,5-trihydroxybenzoyloxy)methyl]-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C43H62O16 (834.4037652)


   

3-(2,4-dihydroxynonyl)-8-[3-(2,4-dihydroxynonyl)-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-3h,4h-naphtho[2,3-c]pyran-1-one

3-(2,4-dihydroxynonyl)-8-[3-(2,4-dihydroxynonyl)-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-3h,4h-naphtho[2,3-c]pyran-1-one

C46H58O14 (834.3826368)


   

agave cantala agaveside c

NA

C45H54N8O8 (834.4064404000001)


{"Ingredient_id": "HBIN014839","Ingredient_name": "agave cantala agaveside c","Alias": "NA","Ingredient_formula": "C45H54N8O8","Ingredient_Smile": "CCOC1CC(N(C1)C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "719","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(3s,6s,9s,12s,15s,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-21-[(1r)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-(2-methanesulfinylethyl)-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

(3s,6s,9s,12s,15s,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-21-[(1r)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-(2-methanesulfinylethyl)-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C38H58N8O11S (834.3945558)


   

(3s)-3-[(2r,4r)-2,4-dihydroxynonyl]-8-[(3s)-3-[(2r,4r)-2,4-dihydroxynonyl]-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-3h,4h-naphtho[2,3-c]pyran-1-one

(3s)-3-[(2r,4r)-2,4-dihydroxynonyl]-8-[(3s)-3-[(2r,4r)-2,4-dihydroxynonyl]-9,10-dihydroxy-7-methoxy-1-oxo-3h,4h-naphtho[2,3-c]pyran-8-yl]-9,10-dihydroxy-7-methoxy-3h,4h-naphtho[2,3-c]pyran-1-one

C46H58O14 (834.3826368)


   

(2s)-2-[(1r)-1-{[(1s,4ar,5r,8as)-5-({[(2s)-2-[(1r)-1-{[(1s,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl]-3-carboxypropanoyl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl]butanedioic acid

(2s)-2-[(1r)-1-{[(1s,4ar,5r,8as)-5-({[(2s)-2-[(1r)-1-{[(1s,4ar,5r,8as)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl]-3-carboxypropanoyl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl]butanedioic acid

C44H66O15 (834.4401486)


   

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4r,5r,6s)-3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-(dodecyloxy)-5-hydroxy-2-methyloxan-3-yl acetate

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4r,5r,6s)-3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-(dodecyloxy)-5-hydroxy-2-methyloxan-3-yl acetate

C40H66O18 (834.4248936000001)


   

(2s,3r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-12-[(2r)-butan-2-yl]-2,5,11,14-tetrahydroxy-6-(c-hydroxycarbonimidoylmethyl)-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-methylpentanoic acid

(2s,3r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-12-[(2r)-butan-2-yl]-2,5,11,14-tetrahydroxy-6-(c-hydroxycarbonimidoylmethyl)-7-methyl-8-oxo-9-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-methylpentanoic acid

C43H62N8O9 (834.4639522)


   

2-(1-{[5-({[3-carboxy-2-(1-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl)propanoyl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl)butanedioic acid

2-(1-{[5-({[3-carboxy-2-(1-{[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl)propanoyl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methoxy}-2-methoxy-2-oxoethyl)butanedioic acid

C44H66O15 (834.4401486)


   

(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-9-[(2-methylbutanoyl)oxy]-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl (2e)-2-methylbut-2-enoate

(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-9-[(2-methylbutanoyl)oxy]-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl (2e)-2-methylbut-2-enoate

C45H70O14 (834.476532)


   

(3s,6s,9r,12s,15r,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-21-[(1s)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-{2-[(r)-methanesulfinyl]ethyl}-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

(3s,6s,9r,12s,15r,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-21-[(1s)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-{2-[(r)-methanesulfinyl]ethyl}-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C38H58N8O11S (834.3945558)


   

(2s,3r,4r,5r,6s)-2-[2-(6-chlorododecyl)-5-(6-chloropentadecyl)-3-hydroxy-4-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]phenoxy]-6-methyloxane-3,4,5-triol

(2s,3r,4r,5r,6s)-2-[2-(6-chlorododecyl)-5-(6-chloropentadecyl)-3-hydroxy-4-[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]phenoxy]-6-methyloxane-3,4,5-triol

C44H76Cl2O10 (834.4815256)


   

4-{[3,5-bis(acetyloxy)-4-{[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

4-{[3,5-bis(acetyloxy)-4-{[3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

C40H66O18 (834.4248936000001)


   

(3s,6s,9s,12s,15r,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-21-[(1r)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-{2-[(r)-methanesulfinyl]ethyl}-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

(3s,6s,9s,12s,15r,21s,26as)-1,4,7,10,13,16,19-heptahydroxy-21-[(1r)-1-hydroxyethyl]-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-{2-[(r)-methanesulfinyl]ethyl}-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C38H58N8O11S (834.3945558)


   

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4r,5r,6s)-3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4r,5r,6s)-3,5-bis(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

C40H66O18 (834.4248936000001)


   

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4s,5s,6s)-4,5-bis(acetyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-(dodecyloxy)-5-hydroxy-2-methyloxan-3-yl acetate

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4s,5s,6s)-4,5-bis(acetyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-(dodecyloxy)-5-hydroxy-2-methyloxan-3-yl acetate

C40H66O18 (834.4248936000001)


   

(2r,3s,5s)-2-{[(3s,5s,6r)-6-{[(1s,3as,7s,9ar,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(1-{[(2r,3s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2r,3s,5s)-2-{[(3s,5s,6r)-6-{[(1s,3as,7s,9ar,11ar)-3a-hydroxy-9a,11a-dimethyl-1-(1-{[(2r,3s,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C40H66O18 (834.4248936000001)


   

1,4,7,10,13,16,19-heptahydroxy-21-(1-hydroxyethyl)-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-(2-methanesulfinylethyl)-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

1,4,7,10,13,16,19-heptahydroxy-21-(1-hydroxyethyl)-15-[(4-hydroxyphenyl)methyl]-6,12-diisopropyl-3-(2-methanesulfinylethyl)-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one

C38H58N8O11S (834.3945558)


   

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4s,5s,6s)-4,5-bis(acetyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

(2s,3s,4s,5r,6r)-4-{[(2s,3r,4r,5s,6s)-3,5-bis(acetyloxy)-4-{[(2s,3r,4s,5s,6s)-4,5-bis(acetyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

C40H66O18 (834.4248936000001)


   

(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-9-{[(2r)-2-methylbutanoyl]oxy}-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl (2e)-2-methylbut-2-enoate

(1s,3r,6r,7s,8s,9s,10s,11s,14s,16s)-6-acetyl-14-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5r,6r)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-7,11-dimethyl-9-{[(2r)-2-methylbutanoyl]oxy}-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-8-yl (2e)-2-methylbut-2-enoate

C45H70O14 (834.476532)