Exact Mass: 776.3983

Exact Mass Matches: 776.3983

Found 123 metabolites which its exact mass value is equals to given mass value 776.3983, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Lyciumoside IV

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C38H64O16 (776.4194)


Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside IV is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside IV is found in coffee and coffee products. Lyciumoside IV is a constituent of Lycium chinense (Chinese boxthorn).

   

PZ-Peptide

5-Carbamimidamido-2-({hydroxy[1-(2-{[1-hydroxy-2-({hydroxy[1-({[4-(2-phenyldiazen-1-yl)phenyl]methoxy}carbonyl)pyrrolidin-2-yl]methylidene}amino)-4-methylpentylidene]amino}acetyl)pyrrolidin-2-yl]methylidene}amino)pentanoate

C38H52N10O8 (776.3969)


   

PG(a-13:0/PGE2)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(a-13:0/PGE2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(PGE2/a-13:0)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(PGE2/a-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(a-13:0/PGD2)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(a-13:0/PGD2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(PGD2/a-13:0)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(PGD2/a-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

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

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

C39H69O13P (776.4476)


PG(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

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

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

C39H69O13P (776.4476)


PG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(i-13:0/PGE2)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(i-13:0/PGE2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(PGE2/i-13:0)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(PGE2/i-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(i-13:0/PGD2)

[(2S)-2,3-dihydroxypropoxy][(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]phosphinic acid

C39H69O13P (776.4476)


PG(i-13:0/PGD2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(PGD2/i-13:0)

[(2S)-2,3-dihydroxypropoxy][(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-[(11-methyldodecanoyl)oxy]propoxy]phosphinic acid

C39H69O13P (776.4476)


PG(PGD2/i-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

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

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

C39H69O13P (776.4476)


PG(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

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

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

C39H69O13P (776.4476)


PG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

Ilekudinoside K

Ilekudinoside K

C42H64O13 (776.4347)


   
   

17-O-alpha-L-rhamnopyranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside-6E,10E,14Z-(3S)-19-hydroxygeranyllinalool|capsianoside XIV

17-O-alpha-L-rhamnopyranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->6)]-beta-D-glucopyranoside-6E,10E,14Z-(3S)-19-hydroxygeranyllinalool|capsianoside XIV

C38H64O16 (776.4194)


   

Furobiclausarin

Furobiclausarin

C48H56O9 (776.3924)


   
   
   

3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-diene-2-O-beta-glucopyranoside pentaacetate

3alpha-Angeloyloxy-2beta,15-dihydroxy-ent-labda-7,13E-diene-2-O-beta-glucopyranoside pentaacetate

C41H60O14 (776.3983)


   

5alpha-acetyloxy-3beta,7beta-diisobutanoyloxy-8alpha,9alpha-dinicotinyloxy-15beta-hydroxyjatropha-6(17),11E-diene-14-one|euphodendrophane L

5alpha-acetyloxy-3beta,7beta-diisobutanoyloxy-8alpha,9alpha-dinicotinyloxy-15beta-hydroxyjatropha-6(17),11E-diene-14-one|euphodendrophane L

C42H52N2O12 (776.352)


   

ursa-1,12,19-trien-3-ol-28-oic acid-3beta-D-glucopyranosyl-(4-1)-beta-D-glucopyranoside

ursa-1,12,19-trien-3-ol-28-oic acid-3beta-D-glucopyranosyl-(4-1)-beta-D-glucopyranoside

C42H64O13 (776.4347)


   

Neomycin B glucoside

Neomycin B glucoside

C29H56N6O18 (776.3651)


   

MCULE-5940942593

MCULE-5940942593

C40H56O15 (776.3619)


   

20-O-benzoyl-12-O-cinnamoyl-3beta,5alpha,8beta,12beta,14beta,17beta,20-heptahydroxy-(20S)-pregn-6-enyl-3-O-beta-D-cymaropyranoside|gymnepregoside H

20-O-benzoyl-12-O-cinnamoyl-3beta,5alpha,8beta,12beta,14beta,17beta,20-heptahydroxy-(20S)-pregn-6-enyl-3-O-beta-D-cymaropyranoside|gymnepregoside H

C44H56O12 (776.3772)


   
   

Glu Phe Tyr Tyr Arg

Glu Phe Tyr Tyr Arg

C38H48N8O10 (776.3493)


   

Hexsose + Hexsose-deoxyHexose + C20H32

Hexsose + Hexsose-deoxyHexose + C20H32

C38H64O16 (776.4194)


Annotation level-3

   

EFYYR

Glu-Phe-Tyr-Tyr-Arg

C38H48N8O10 (776.3493)


   

PI(12:0/18:3(6Z,9Z,12Z))

1-dodecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phospho-(1-myo-inositol)

C39H69O13P (776.4476)


   

PI(12:0/18:3(9Z,12Z,15Z))

1-dodecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phospho-(1-myo-inositol)

C39H69O13P (776.4476)


   

PI(18:3(6Z,9Z,12Z)/12:0)

1-(6Z,9Z,12Z-octadecatrienoyl)-2-dodecanoyl-glycero-3-phospho-(1-myo-inositol)

C39H69O13P (776.4476)


   

PI(18:3(9Z,12Z,15Z)/12:0)

1-(9Z,12Z,15Z-octadecatrienoyl)-2-dodecanoyl-glycero-3-phospho-(1-myo-inositol)

C39H69O13P (776.4476)


   

Lyciumoside IV

2-{[(2E,6Z,10E)-14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C38H64O16 (776.4194)


An acyclic diterpene glycoside consisting of a 20-hydroxygeranyllinalool skeleton conjugated to a glucosyl residue at C-20 and a rhamnosylglucosyl moiety at C-3.

   

PI 30:3

1-(9Z,12Z,15Z-octadecatrienoyl)-2-dodecanoyl-glycero-3-phospho-(1-myo-inositol)

C39H69O13P (776.4476)


   

LPIM1 19:0

2-O-(alpha-D-Manp)-(1-nonadecanoyl-sn-glycero-3-phospho-1-myo-inositol)

C34H65O17P (776.3959)


   

2,5-Bis(2-ethylhexyl)-3,6-bis(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)pyrrolo[3,4-c ]pyrrole-1,4(2H ,5H )-dione

2,5-Bis(2-ethylhexyl)-3,6-bis(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)pyrrolo[3,4-c ]pyrrole-1,4(2H ,5H )-dione

C42H62B2N2O6S2 (776.4235)


   

Pz-Pro-Leu-Gly-Pro-D-Arg-OH trifluoroacetate salt

Pz-Pro-Leu-Gly-Pro-D-Arg-OH trifluoroacetate salt

C38H52N10O8 (776.3969)


   

Neurotensin (1-6) trifluoroacetate salt

Neurotensin (1-6) trifluoroacetate salt

C35H52N8O12 (776.3705)


   

PG(a-13:0/PGE2)

PG(a-13:0/PGE2)

C39H69O13P (776.4476)


   

PG(PGE2/a-13:0)

PG(PGE2/a-13:0)

C39H69O13P (776.4476)


   

PG(a-13:0/PGD2)

PG(a-13:0/PGD2)

C39H69O13P (776.4476)


   

PG(PGD2/a-13:0)

PG(PGD2/a-13:0)

C39H69O13P (776.4476)


   

PG(i-13:0/PGE2)

PG(i-13:0/PGE2)

C39H69O13P (776.4476)


   

PG(PGE2/i-13:0)

PG(PGE2/i-13:0)

C39H69O13P (776.4476)


   

PG(i-13:0/PGD2)

PG(i-13:0/PGD2)

C39H69O13P (776.4476)


   

PG(PGD2/i-13:0)

PG(PGD2/i-13:0)

C39H69O13P (776.4476)


   

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

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

C39H69O13P (776.4476)


   

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

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

C39H69O13P (776.4476)


   

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

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

C39H69O13P (776.4476)


   

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

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

C39H69O13P (776.4476)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C39H69O13P (776.4476)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate

C39H69O13P (776.4476)


   

[1-dodecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

[1-dodecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C39H69O13P (776.4476)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate

C39H69O13P (776.4476)


   

[1-decanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate

[1-decanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (11Z,14Z,17Z)-icosa-11,14,17-trienoate

C39H69O13P (776.4476)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-octanoyloxypropan-2-yl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate

C39H69O13P (776.4476)


   

[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (9E,11E,13E)-hexadeca-9,11,13-trienoate

C39H69O13P (776.4476)


   

[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5E,8E,11E)-icosa-5,8,11-trienoate

[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (5E,8E,11E)-icosa-5,8,11-trienoate

C39H69O13P (776.4476)


   

[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (8E,11E,14E)-icosa-8,11,14-trienoate

[(2R)-1-decanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (8E,11E,14E)-icosa-8,11,14-trienoate

C39H69O13P (776.4476)


   

[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (8E,11E,14E)-icosa-8,11,14-trienoate

[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (8E,11E,14E)-icosa-8,11,14-trienoate

C39H69O13P (776.4476)


   

[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (6E,9E,12E)-octadeca-6,9,12-trienoate

[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (6E,9E,12E)-octadeca-6,9,12-trienoate

C39H69O13P (776.4476)


   

[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate

[(2R)-1-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate

C39H69O13P (776.4476)


   

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

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

C41H60O12S (776.3805)


   

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

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

C41H60O12S (776.3805)


   

[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5E,8E,11E)-icosa-5,8,11-trienoate

[(2S)-2-decanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5E,8E,11E)-icosa-5,8,11-trienoate

C39H69O13P (776.4476)


   

[(2S)-2-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (6E,9E,12E)-octadeca-6,9,12-trienoate

[(2S)-2-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (6E,9E,12E)-octadeca-6,9,12-trienoate

C39H69O13P (776.4476)


   

[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

[1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(E)-tetradec-9-enoyl]oxypropan-2-yl] (4E,7E)-hexadeca-4,7-dienoate

C39H69O13P (776.4476)


   

[(2S)-2-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

[(2S)-2-dodecanoyloxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate

C39H69O13P (776.4476)


   

SMGDG O-30:4;O

SMGDG O-30:4;O

C39H68O13S (776.438)


   
   
   

PG 22:1/11:3;O3

PG 22:1/11:3;O3

C39H69O13P (776.4476)


   

PG 22:6/13:4;O2

PG 22:6/13:4;O2

C41H61O12P (776.39)


   
   

PG 35:10;O2

PG 35:10;O2

C41H61O12P (776.39)


   
   
   

PI P-16:0/13:4;O2

PI P-16:0/13:4;O2

C38H65O14P (776.4112)


   

PI P-16:1/13:3;O2

PI P-16:1/13:3;O2

C38H65O14P (776.4112)


   

PI P-18:0/12:3;O

PI P-18:0/12:3;O

C39H69O13P (776.4476)


   

PI P-20:0/9:4;O2

PI P-20:0/9:4;O2

C38H65O14P (776.4112)


   
   
   
   
   
   
   
   
   
   
   
   
   

2-({2-[({1-[2-({2-[(2-{[2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-1,3-dihydroxybutylidene}amino)-4-methylpentanoic acid

2-({2-[({1-[2-({2-[(2-{[2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-1,3-dihydroxybutylidene}amino)-4-methylpentanoic acid

C36H56N8O11 (776.4068)


   

13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione

13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione

C48H56O9 (776.3924)


   

(4r,6e,8z,10e,12r,20s,22z,24r,25s,26e,28z)-24,25-dihydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

(4r,6e,8z,10e,12r,20s,22z,24r,25s,26e,28z)-24,25-dihydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)


   

(1s,2s,15r,17s)-13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione

(1s,2s,15r,17s)-13,19-dihydroxy-3,3,29,29-tetramethyl-6,10,22,26-tetrakis(2-methylbut-3-en-2-yl)-4,8,16,24,28-pentaoxaheptacyclo[15.12.0.0²,¹⁵.0⁵,¹⁴.0⁷,¹².0¹⁸,²⁷.0²⁰,²⁵]nonacosa-5(14),6,10,12,18(27),19,21,25-octaene-9,23-dione

C48H56O9 (776.3924)


   

atratoside a

NA

C42H64O13 (776.4347)


{"Ingredient_id": "HBIN017323","Ingredient_name": "atratoside a","Alias": "NA","Ingredient_formula": "C42H64O13","Ingredient_Smile": "CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CC5=CCC6C(C5(CC4O)C)CCC(C6=O)(C)C7=C(OC=C7)C)C)C)OC)O","Ingredient_weight": "776.9 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01282","TCMID_id": "1993","TCMSP_id": "NA","TCM_ID_id": "6483","PubChem_id": "101244249","DrugBank_id": "NA"}

   

(1r,4s,5r,8r,10s,13s,14r,19s,20s)-10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosa-15,17-dien-22-one

(1r,4s,5r,8r,10s,13s,14r,19s,20s)-10-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-19-hydroxy-4,5,9,9,13,19,20-heptamethyl-21-oxahexacyclo[18.2.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosa-15,17-dien-22-one

C42H64O13 (776.4347)


   

(10e)-24,25-dihydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

(10e)-24,25-dihydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)


   

(6r,7r)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

(6r,7r)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)


   

2-[(14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C38H64O16 (776.4194)


   

(2r,3r,4s,5s,6r)-2-{[(2z,6e,10e,14s)-14-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-{[(2z,6e,10e,14s)-14-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C38H64O16 (776.4194)


   

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3r,4s,5r,6r)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

C41H60O14 (776.3983)


   

3,4,5-trihydroxy-6-[(5,12,16,23,27-pentahydroxy-2,13,24-trioxo-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,27-trien-1-yl)oxy]oxane-2-carboxylic acid

3,4,5-trihydroxy-6-[(5,12,16,23,27-pentahydroxy-2,13,24-trioxo-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,27-trien-1-yl)oxy]oxane-2-carboxylic acid

C33H56N6O15 (776.3803)


   

(4s,6z,8z,10e,12r,20r,22z,24r,25s,26e,28z)-24,25-dihydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

(4s,6z,8z,10e,12r,20r,22z,24r,25s,26e,28z)-24,25-dihydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)


   

(2r,4as,4br,6r,7r,10ar)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

(2r,4as,4br,6r,7r,10ar)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)


   

24,25-dihydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

24,25-dihydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)


   

(4s,6r,8z,10z,12e,14r,22r,24r,26z,28r,29s,30e,32z)-6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis[(1e)-prop-1-en-1-yl]-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

(4s,6r,8z,10z,12e,14r,22r,24r,26z,28r,29s,30e,32z)-6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis[(1e)-prop-1-en-1-yl]-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

C43H56N2O11 (776.3884)


   

(8z,10z,26z,30z,32z)-6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis[(1e)-prop-1-en-1-yl]-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

(8z,10z,26z,30z,32z)-6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis[(1e)-prop-1-en-1-yl]-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

C43H56N2O11 (776.3884)


   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,4s,7r,8s,9s,10s,12r,13r,16r,17s,18r)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2s,4s,7r,8s,9s,10s,12r,13r,16r,17s,18r)-16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

C40H56O15 (776.3619)


   

6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis(prop-1-en-1-yl)-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

6,24,28,29-tetrahydroxy-14-methoxy-5,5,23,23-tetramethyl-4,22-bis(prop-1-en-1-yl)-3,17,21,35-tetraoxa-37,38-diazatricyclo[32.2.1.1¹⁶,¹⁹]octatriaconta-1(36),8,10,12,16(38),18,26,30,32,34(37)-decaene-2,20-dione

C43H56N2O11 (776.3884)


   

(2s)-2-{[(2s,3r)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-[(2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1,3-dihydroxybutylidene]amino}-4-methylpentanoic acid

(2s)-2-{[(2s,3r)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-[(2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1,3-dihydroxybutylidene]amino}-4-methylpentanoic acid

C36H56N8O11 (776.4068)


   

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

C41H60O14 (776.3983)


   

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 16-(acetyloxy)-2-[(acetyloxy)methyl]-10-hydroxy-9,13,17-trimethyl-7-(4-methyl-2-oxopent-3-en-1-yl)-6-oxo-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-1(20)-ene-17-carboxylate

C40H56O15 (776.3619)


   

6-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

6-hydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)


   

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5,12,16,23,27-pentahydroxy-2,13,24-trioxo-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,27-trien-1-yl)oxy]oxane-2-carboxylic acid

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5,12,16,23,27-pentahydroxy-2,13,24-trioxo-1,6,12,17,23,28-hexaazacyclotritriaconta-5,16,27-trien-1-yl)oxy]oxane-2-carboxylic acid

C33H56N6O15 (776.3803)


   

(2s,4as,4br,6r,7r,10ar)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

(2s,4as,4br,6r,7r,10ar)-6-hydroxy-7-{[(2s,4s,5r,6r)-5-{[(2s,4s,5r,6s)-5-{[(2s,4s,5r,6r)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-2,4b-dimethyl-2-(2-methylfuran-3-yl)-4,4a,5,6,7,8,10,10a-octahydro-3h-phenanthren-1-one

C42H64O13 (776.4347)


   

(6z,8z,22z,26z,28z)-24,25-dihydroxy-4,20-bis[(4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

(6z,8z,22z,26z,28z)-24,25-dihydroxy-4,20-bis[(4e)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione

C43H56N2O11 (776.3884)