Exact Mass: 856.3926

Exact Mass Matches: 856.3926

Found 84 metabolites which its exact mass value is equals to given mass value 856.3926, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Trp-Lys-Tyr-Met-Val-D-Met

2-[(2-{[2-({2-[(6-amino-2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-1-hydroxyhexylidene)amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene}amino)-1-hydroxy-4-(methylsulphanyl)butylidene]amino}-1-hydroxy-3-methylbutylidene)amino]-4-(methylsulphanyl)butanoic acid

C41H60N8O8S2 (856.3975)


   

Dapta

2-({2-[(2-{[2-({2-[(2-amino-1-hydroxypropylidene)amino]-1,3-dihydroxypropylidene}amino)-1,3-dihydroxybutylidene]amino}-1,3-dihydroxybutylidene)amino]-1,3-dihydroxybutylidene}amino)-N-(1-{[2-hydroxy-1-(C-hydroxycarbonimidoyl)propyl]-C-hydroxycarbonimidoyl}-2-(4-hydroxyphenyl)ethyl)butanediimidate

C35H56N10O15 (856.3926)


   

PGP(a-13:0/PGE2)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}-3-[(10-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(a-13:0/PGE2) 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(a-13:0/PGE2), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/a-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}-2-[(10-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(PGE2/a-13:0) 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(PGE2/a-13:0), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of 10-methyldodecanoyl 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(a-13:0/PGD2)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}-3-[(10-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(a-13:0/PGD2) 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(a-13:0/PGD2), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/a-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}-2-[(10-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(PGD2/a-13:0) 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(PGD2/a-13:0), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of 10-methyldodecanoyl 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(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-{[(5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Lipoxin A4 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(10-methyldodecanoyl)oxy]-3-{[(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0) 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of 10-methyldodecanoyl 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-13:0/PGE2)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}-3-[(11-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(i-13:0/PGE2) 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-13:0/PGE2), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/i-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-{[(5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]hept-5-enoyl]oxy}-2-[(11-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(PGE2/i-13:0) 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(PGE2/i-13:0), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of 11-methyldodecanoyl 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-13:0/PGD2)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-{[(5Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]hept-5-enoyl]oxy}-3-[(11-methyldodecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(i-13:0/PGD2) 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-13:0/PGD2), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/i-13:0)

PGP(PGD2/i-13:0)

C39H70O16P2 (856.4139)


PGP(PGD2/i-13:0) 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(PGD2/i-13:0), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of 11-methyldodecanoyl 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-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-{[(5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Lipoxin A4 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-{[(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C39H70O16P2 (856.4139)


PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0) 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of 11-methyldodecanoyl 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).

   

Saundersioside E

Saundersioside E

C46H64O15 (856.4245)


   

adynerigenin beta-odorotrioside

adynerigenin beta-odorotrioside

C42H64O18 (856.4092)


   

chukvelutilide F

chukvelutilide F

C44H56O17 (856.3517)


   

cannogenin-beta-D-cellobiosyl-beta-D-oleandroside

cannogenin-beta-D-cellobiosyl-beta-D-oleandroside

C42H64O18 (856.4092)


   

5alpha-thevetiogenin-beta-gentiobiosyl-(1->4)-alpha-L-acofrioside

5alpha-thevetiogenin-beta-gentiobiosyl-(1->4)-alpha-L-acofrioside

C42H64O18 (856.4092)


   
   

Delta16-neriagenin beta-neritrioside

Delta16-neriagenin beta-neritrioside

C42H64O18 (856.4092)


   

3-beta-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-beta-D-diginopyranosyl]-7beta,8-epoxy-14-hydroxy-5beta,14beta-card-20(22)-enolide|cardenolide B-3

3-beta-O-[beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->4)-beta-D-diginopyranosyl]-7beta,8-epoxy-14-hydroxy-5beta,14beta-card-20(22)-enolide|cardenolide B-3

C42H64O18 (856.4092)


   

Delta16-8beta-hydroxydigitoxigenin beta-neritrioside

Delta16-8beta-hydroxydigitoxigenin beta-neritrioside

C42H64O18 (856.4092)


   

Antibiotic Mer-WF 3010

Antibiotic Mer-WF 3010

C45H60O16 (856.3881)


   

cannogenin-beta-D-gentiobiosyl-beta-D-cymaroside

cannogenin-beta-D-gentiobiosyl-beta-D-cymaroside

C42H64O18 (856.4092)


   
   

Delta16-digitoxigenin beta-odorotrioside

Delta16-digitoxigenin beta-odorotrioside

C42H64O18 (856.4092)


   

cyclo-(trans-Pro1-cis-Pro2-Phe3-Asp4-trans-Pro5-Arg6-Phe7)|stylissamide F

cyclo-(trans-Pro1-cis-Pro2-Phe3-Asp4-trans-Pro5-Arg6-Phe7)|stylissamide F

C43H56N10O9 (856.4232)


   
   

(3S,5R,8R,10R,13R,14S,17R)-3-[5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

NCGC00384881-01!(3S,5R,8R,10R,13R,14S,17R)-3-[5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

C42H64O18 (856.4092)


   

C42H64O18_(3beta,5beta,9xi)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide

NCGC00384881-02_C42H64O18_(3beta,5beta,9xi)-3-{[beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-14-hydroxy-19-oxocard-20(22)-enolide

C42H64O18 (856.4092)


   

C42H64O18_2(5H)-Furanone, 4-[(3S,4aR,6aR,6bS,9S,10aR,11bS)-3-[[O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy]hexadecahydro-6b-hydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]

NCGC00169844-02_C42H64O18_2(5H)-Furanone, 4-[(3S,4aR,6aR,6bS,9S,10aR,11bS)-3-[[O-beta-D-glucopyranosyl-(1->6)-O-beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-L-idopyranosyl]oxy]hexadecahydro-6b-hydroxy-11b-methyl-10-methylene-1H-benzo[a]fluoren-9-yl]-

C42H64O18 (856.4092)


   

(3S,5R,8R,10R,13R,14S,17R)-3-((5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde

(3S,5R,8R,10R,13R,14S,17R)-3-((5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde

C42H64O18 (856.4092)


   

1,4-Bis(dihydroquinine)anthraquinoneanthraquinone

1,4-Bis(dihydroquinine)anthraquinoneanthraquinone

C54H56N4O6 (856.42)


   

1,4-BIS((1S)-(6-METHOXYQUINOLIN-4-YL)(5-VINYLQUINUCLIDIN-2-YL)METHYL)ANTHRACENE-9,10-DIONE

1,4-BIS((1S)-(6-METHOXYQUINOLIN-4-YL)(5-VINYLQUINUCLIDIN-2-YL)METHYL)ANTHRACENE-9,10-DIONE

C54H56N4O6 (856.42)


   
   
   
   
   
   
   
   
   

PGP(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

PGP(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C39H70O16P2 (856.4139)


   

PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0)

PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0)

C39H70O16P2 (856.4139)


   

PGP(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

PGP(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C39H70O16P2 (856.4139)


   

PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0)

PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0)

C39H70O16P2 (856.4139)


   

Ferriheme a3(1-)

Ferriheme a3(1-)

C49H60FeN4O6- (856.3862)


A dicarboxylic acid anion obtained by deprotonation of the carboxy groups of ferriheme a3. Major structure at pH 7.3.

   

[3-[[3-[[3-[(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

[3-[[3-[[3-[(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoate

C41H62O15P2 (856.3564)


   

PI 14:1/20:6;O2

PI 14:1/20:6;O2

C43H69O15P (856.4374)


   

PI 22:4/12:3;O2

PI 22:4/12:3;O2

C43H69O15P (856.4374)


   

PI 22:5/11:3;O3

PI 22:5/11:3;O3

C42H65O16P (856.401)


   

PI 22:5/12:2;O2

PI 22:5/12:2;O2

C43H69O15P (856.4374)


   
   
   

DAPTA

DAPTA

C35H56N10O15 (856.3926)


DAPTA is a synthetic peptide, functions as a viral entry inhibitor by targeting selectively CCR5, and shows potent anti-HIV activities.

   

4-{6b-hydroxy-3-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl}-5h-furan-2-one

4-{6b-hydroxy-3-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl}-5h-furan-2-one

C42H64O18 (856.4092)


   

4-[(1r,3s,5s,7s,10s,11r,14r,15r,18r)-18-hydroxy-7-{[(2r,4r,5s,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl]-5h-furan-2-one

4-[(1r,3s,5s,7s,10s,11r,14r,15r,18r)-18-hydroxy-7-{[(2r,4r,5s,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl]-5h-furan-2-one

C42H64O18 (856.4092)


   

4-{18-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl}-5h-furan-2-one

4-{18-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-10,14-dimethyl-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadecan-15-yl}-5h-furan-2-one

C42H64O18 (856.4092)


   

(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-7-{[(2r,4s,5r,6r)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-7-{[(2r,4s,5r,6r)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C42H64O18 (856.4092)


   

[9,24-dibenzyl-12-(3-carbamimidamidopropyl)-11,14,23,26-tetrahydroxy-2,8,20-trioxo-1,7,10,13,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹⁵,¹⁹]triaconta-10,13,22,25-tetraen-21-yl]acetic acid

[9,24-dibenzyl-12-(3-carbamimidamidopropyl)-11,14,23,26-tetrahydroxy-2,8,20-trioxo-1,7,10,13,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹⁵,¹⁹]triaconta-10,13,22,25-tetraen-21-yl]acetic acid

C43H56N10O9 (856.4232)


   

3a-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

3a-hydroxy-7-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C42H64O18 (856.4092)


   

(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-3a-hydroxy-7-{[(2r,4s,5r,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-3a-hydroxy-7-{[(2r,4s,5r,6r)-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C42H64O18 (856.4092)


   

[(3s,9s,12s,15s,21s,24s,27s)-9,24-dibenzyl-12-(3-carbamimidamidopropyl)-11,14,23,26-tetrahydroxy-2,8,20-trioxo-1,7,10,13,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹⁵,¹⁹]triaconta-10,13,22,25-tetraen-21-yl]acetic acid

[(3s,9s,12s,15s,21s,24s,27s)-9,24-dibenzyl-12-(3-carbamimidamidopropyl)-11,14,23,26-tetrahydroxy-2,8,20-trioxo-1,7,10,13,19,22,25-heptaazatetracyclo[25.3.0.0³,⁷.0¹⁵,¹⁹]triaconta-10,13,22,25-tetraen-21-yl]acetic acid

C43H56N10O9 (856.4232)


   

3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-[(3,4,5-trihydroxy-6-{[(2e,4e,6e)-octa-2,4,6-trienoyloxy]methyl}oxan-2-yl)oxy]-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-[(3,4,5-trihydroxy-6-{[(2e,4e,6e)-octa-2,4,6-trienoyloxy]methyl}oxan-2-yl)oxy]-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

C45H60O16 (856.3881)


   

(2s,3r,4s,5s,6r)-6-{[(2s,3s,4r,5r,6s)-2-{[(1s,2r,4s,6s,7r,8r,9s,10s,13s,14r,17r)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

(2s,3r,4s,5s,6r)-6-{[(2s,3s,4r,5r,6s)-2-{[(1s,2r,4s,6s,7r,8r,9s,10s,13s,14r,17r)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

C46H64O15 (856.4245)


   

7-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

7-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C42H64O18 (856.4092)


   

(1s,3'r,4'r,5'r,6'r)-3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2e,4e,6e)-octa-2,4,6-trienoyloxy]methyl}oxan-2-yl]oxy}-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

(1s,3'r,4'r,5'r,6'r)-3',5,7-trihydroxy-6'-(hydroxymethyl)-5'-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-{[(2e,4e,6e)-octa-2,4,6-trienoyloxy]methyl}oxan-2-yl]oxy}-3h-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2e,4e,8e,10e)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

C45H60O16 (856.3881)


   

(2s,3r,4s,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

(2s,3r,4s,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

C46H64O15 (856.4245)


   

4-[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-3-{[(2r,3r,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

4-[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-3-{[(2r,3r,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

C42H64O18 (856.4092)


   

(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-7-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-7-{[(2r,4r,5r,6r)-5-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde

C42H64O18 (856.4092)


   

(s)-[(1r,2s,7s,8r,9s,10s,11r,13r,15r,16r,19z,20s,21r,22r,23r)-9,10-dihydroxy-19-(1-hydroxy-2-methylpropylidene)-8,13,21-trimethyl-22,23-bis[(2-methylpropanoyl)oxy]-5,18-dioxo-4,12,14,17,24-pentaoxaoctacyclo[11.10.1.1⁸,¹¹.0¹,¹⁵.0²,⁷.0²,¹¹.0¹⁰,¹⁶.0¹⁵,²⁰]pentacosan-21-yl](furan-3-yl)methyl 2-methylpropanoate

(s)-[(1r,2s,7s,8r,9s,10s,11r,13r,15r,16r,19z,20s,21r,22r,23r)-9,10-dihydroxy-19-(1-hydroxy-2-methylpropylidene)-8,13,21-trimethyl-22,23-bis[(2-methylpropanoyl)oxy]-5,18-dioxo-4,12,14,17,24-pentaoxaoctacyclo[11.10.1.1⁸,¹¹.0¹,¹⁵.0²,⁷.0²,¹¹.0¹⁰,¹⁶.0¹⁵,²⁰]pentacosan-21-yl](furan-3-yl)methyl 2-methylpropanoate

C44H56O17 (856.3517)


   

4-[(3s,4as,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-3-{[(2r,3r,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

4-[(3s,4as,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-3-{[(2r,3r,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

C42H64O18 (856.4092)


   

(2s,3r,4r,5r)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,7s,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

(2s,3r,4r,5r)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,7s,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

C46H64O15 (856.4245)


   

6-[(2-{[10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

6-[(2-{[10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

C46H64O15 (856.4245)


   

(2s,3r,4s,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,7s,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

(2s,3r,4s,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,7s,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

C46H64O15 (856.4245)


   

4-[(3s,4ar,6ar,6bs,9s,10as,11as,11bs)-6b-hydroxy-3-{[(2r,3r,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

4-[(3s,4ar,6ar,6bs,9s,10as,11as,11bs)-6b-hydroxy-3-{[(2r,3r,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

C42H64O18 (856.4092)


   

(2s,3r,4r,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,7s,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

(2s,3r,4r,5r,6s)-6-{[(2r,3r,4s,5s,6r)-2-{[(1r,2s,4s,6r,7s,8s,9r,10r,13s,14r,17s)-10-formyl-6-hydroxy-8,14-dimethyl-7-(2-methylprop-1-en-1-yl)-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicos-19-en-17-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl 4-hydroxybenzoate

C46H64O15 (856.4245)


   

4-[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-3-{[(2r,3s,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

4-[(3s,4ar,6ar,6bs,9s,10ar,11as,11bs)-6b-hydroxy-3-{[(2r,3s,4s,5s,6s)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11b-methyl-10-methylidene-tetradecahydrocyclohexa[a]fluoren-9-yl]-5h-furan-2-one

C42H64O18 (856.4092)


   

4-[(1s,3r,6r,7r,10r,11s,14s,16r)-14-{[(2r,3r,4r,5s,6r)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-6-yl]-5h-furan-2-one

4-[(1s,3r,6r,7r,10r,11s,14s,16r)-14-{[(2r,3r,4r,5s,6r)-3-hydroxy-4-methoxy-6-methyl-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-7,11-dimethyl-2-oxapentacyclo[8.8.0.0¹,³.0³,⁷.0¹¹,¹⁶]octadecan-6-yl]-5h-furan-2-one

C42H64O18 (856.4092)


   

[(2r,3r,4s,5r,6s)-4,5-bis(acetyloxy)-6-{[(3r,6e)-2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl]oxy}-3-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

[(2r,3r,4s,5r,6s)-4,5-bis(acetyloxy)-6-{[(3r,6e)-2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl]oxy}-3-{[(2s,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

C41H60O19 (856.3729)


   

[4,5-bis(acetyloxy)-6-[(2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl)oxy]-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

[4,5-bis(acetyloxy)-6-[(2-hydroxy-2,6-dimethyl-10-methylidenedodeca-6,11-dien-3-yl)oxy]-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

C41H60O19 (856.3729)


   

[9,10-dihydroxy-19-(1-hydroxy-2-methylpropylidene)-8,13,21-trimethyl-22,23-bis[(2-methylpropanoyl)oxy]-5,18-dioxo-4,12,14,17,24-pentaoxaoctacyclo[11.10.1.1⁸,¹¹.0¹,¹⁵.0²,⁷.0²,¹¹.0¹⁰,¹⁶.0¹⁵,²⁰]pentacosan-21-yl](furan-3-yl)methyl 2-methylpropanoate

[9,10-dihydroxy-19-(1-hydroxy-2-methylpropylidene)-8,13,21-trimethyl-22,23-bis[(2-methylpropanoyl)oxy]-5,18-dioxo-4,12,14,17,24-pentaoxaoctacyclo[11.10.1.1⁸,¹¹.0¹,¹⁵.0²,⁷.0²,¹¹.0¹⁰,¹⁶.0¹⁵,²⁰]pentacosan-21-yl](furan-3-yl)methyl 2-methylpropanoate

C44H56O17 (856.3517)