Exact Mass: 954.4254

Exact Mass Matches: 954.4254

Found 80 metabolites which its exact mass value is equals to given mass value 954.4254, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Deltorphin

Deltorphin A; Dermenkephalin

C44H62N10O10S2 (954.4092)


   

Amaranthussaponin IV

6-{[4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

C47H70O20 (954.446)


Amaranthussaponin IV is found in cereals and cereal products. Amaranthussaponin IV is a constituent of Amaranthus hypochondriacus (princes feather). Constituent of Amaranthus hypochondriacus (princes feather). Amaranthussaponin IV is found in cereals and cereal products.

   

Betavulgaroside I

7-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

C47H70O20 (954.446)


Betavulgaroside I is found in malabar spinach. Betavulgaroside I is a constituent of Beta vulgaris (sugar beet) Constituent of Beta vulgaris (sugar beet). Betavulgaroside I is found in root vegetables and malabar spinach.

   

Deltorphin

3-({2-[(2-{[2-({2-[(2-{[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-4-(methylsulphanyl)butylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(methylsulphanyl)butylidene}amino)-3-(C-hydroxycarbonimidoyl)propanoic acid

C44H62N10O10S2 (954.4092)


   

PGP(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

[(2S)-3-({[(2R)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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(5Z,8Z,11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one 5Z,8Z,11Z,14Z-eicosatetraenoyl at the C-1 position and one chain of Resolvin D5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(5Z,8Z,11Z,14Z))

[(2S)-3-({[(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(5Z,8Z,11Z,14Z)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(5Z,8Z,11Z,14Z)), in particular, consists of one chain of one Resolvin D5 at the C-1 position and one chain of 5Z,8Z,11Z,14Z-eicosatetraenoyl 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(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

[(2S)-3-({[(2R)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one 5Z,8Z,11Z,14Z-eicosatetraenoyl at the C-1 position and one chain of Protectin DX at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(5Z,8Z,11Z,14Z))

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(5Z,8Z,11Z,14Z))

C48H76O15P2 (954.4659)


PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(5Z,8Z,11Z,14Z)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(5Z,8Z,11Z,14Z)), in particular, consists of one chain of one Protectin DX at the C-1 position and one chain of 5Z,8Z,11Z,14Z-eicosatetraenoyl 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(8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

[(2S)-3-({[(2R)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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(8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of one 8Z,11Z,14Z,17Z-eicosapentaenoyl at the C-1 position and one chain of Resolvin D5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z))

[(2S)-3-({[(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z)), in particular, consists of one chain of one Resolvin D5 at the C-1 position and one chain of 8Z,11Z,14Z,17Z-eicosapentaenoyl 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(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

[(2S)-3-({[(2R)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of one 8Z,11Z,14Z,17Z-eicosapentaenoyl at the C-1 position and one chain of Protectin DX at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(8Z,11Z,14Z,17Z))

[(2S)-3-({[(2R)-3-{[(4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(8Z,11Z,14Z,17Z)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(8Z,11Z,14Z,17Z)), in particular, consists of one chain of one Protectin DX at the C-1 position and one chain of 8Z,11Z,14Z,17Z-eicosapentaenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:5(4Z,7Z,10Z,13Z,16Z)/PGJ2)

[(2S)-3-({[(2R)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:5(4Z,7Z,10Z,13Z,16Z)/PGJ2) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:5(4Z,7Z,10Z,13Z,16Z)/PGJ2), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z-docosapentaenoyl at the C-1 position and one chain of Prostaglandin J2 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(PGJ2/22:5(4Z,7Z,10Z,13Z,16Z))

[(2S)-3-({[(2R)-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-3-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(PGJ2/22:5(4Z,7Z,10Z,13Z,16Z)) 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(PGJ2/22:5(4Z,7Z,10Z,13Z,16Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z-docosapentaenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:5(7Z,10Z,13Z,16Z,19Z)/PGJ2)

[(2S)-3-({[(2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:5(7Z,10Z,13Z,16Z,19Z)/PGJ2) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:5(7Z,10Z,13Z,16Z,19Z)/PGJ2), in particular, consists of one chain of one 7Z,10Z,13Z,16Z,19Z-docosapentaenoyl at the C-1 position and one chain of Prostaglandin J2 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(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z))

[(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z)) 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(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 7Z,10Z,13Z,16Z,19Z-docosapentaenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

[(2S)-3-({[(2R)-2-{[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of Leukotriene B4 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(6Z,8E,10E,14Z)-2OH(5S,12R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

[(2S)-3-({[(2R)-3-{[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 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(6Z,8E,10E,14Z)-2OH(5S,12R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one Leukotriene B4 at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

[(2S)-3-({[(2R)-2-{[(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl 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(6E,8Z,11Z,13E)-2OH(5S,15S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

[(2S)-3-({[(2R)-3-{[(5R,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoyl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 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(6E,8Z,11Z,13E)-2OH(5S,15S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 5(S),15(S)-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

[(2S)-3-({[(2R)-2-{[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy}-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)), in particular, consists of one chain of one 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-1 position and one chain of 5,6-Dihydroxyeicosatetraenoyl 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(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

[(2S)-3-({[(2R)-3-{[(5S,6S,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C48H76O15P2 (954.4659)


PGP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 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(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), in particular, consists of one chain of one 5,6-Dihydroxyeicosatetraenoyl at the C-1 position and one chain of 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized 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).

   
   

Bidentatoside I

Bidentatoside I

C47H70O20 (954.446)


   

(22S)-16-O-beta-D-glucopyranosyl-3-sulfo-cholest-5-ene-1beta,3beta,16beta,22-tetrol 1-O-[alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-xylopyranoside]

(22S)-16-O-beta-D-glucopyranosyl-3-sulfo-cholest-5-ene-1beta,3beta,16beta,22-tetrol 1-O-[alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-xylopyranoside]

C44H74O20S (954.4494)


   
   

deoliosyl-3C-beta-D-mycarosyl-mithramycin|deoliosyl-3C-beta-D-mycarosyl-MTM

deoliosyl-3C-beta-D-mycarosyl-mithramycin|deoliosyl-3C-beta-D-mycarosyl-MTM

C46H66O21 (954.4096)


   

3A-deolivosyl-mithramycin|3A-deolivosyl-MTM

3A-deolivosyl-mithramycin|3A-deolivosyl-MTM

C46H66O21 (954.4096)


   

5,6-anhydrolandomycin B|landomycin W

5,6-anhydrolandomycin B|landomycin W

C49H62O19 (954.3885)


   

(23S,24S)-spirosta-5,25(27)-diene-1beta,3beta,23,24-tetrol-1-O-{O-(2,3-O-diacetyl-alpha-L-rhamnopyranosyl)-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-alpha-L-arabinopyranoside}

(23S,24S)-spirosta-5,25(27)-diene-1beta,3beta,23,24-tetrol-1-O-{O-(2,3-O-diacetyl-alpha-L-rhamnopyranosyl)-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-alpha-L-arabinopyranoside}

C47H70O20 (954.446)


   

Achyranthoside B

7-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydro-2H-pyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

C47H70O20 (954.446)


   

Amaranthussaponin IV

6-{[4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

C47H70O20 (954.446)


   
   

Bedoradrine sulfate

Bedoradrine sulfate

C48H66N4O14S (954.4296)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist

   

PGP(22:5(4Z,7Z,10Z,13Z,16Z)/PGJ2)

PGP(22:5(4Z,7Z,10Z,13Z,16Z)/PGJ2)

C48H76O15P2 (954.4659)


   

PGP(PGJ2/22:5(4Z,7Z,10Z,13Z,16Z))

PGP(PGJ2/22:5(4Z,7Z,10Z,13Z,16Z))

C48H76O15P2 (954.4659)


   

PGP(22:5(7Z,10Z,13Z,16Z,19Z)/PGJ2)

PGP(22:5(7Z,10Z,13Z,16Z,19Z)/PGJ2)

C48H76O15P2 (954.4659)


   

PGP(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z))

PGP(PGJ2/22:5(7Z,10Z,13Z,16Z,19Z))

C48H76O15P2 (954.4659)


   

PGP(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

PGP(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

C48H76O15P2 (954.4659)


   

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(5Z,8Z,11Z,14Z))

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(5Z,8Z,11Z,14Z))

C48H76O15P2 (954.4659)


   

PGP(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

PGP(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

C48H76O15P2 (954.4659)


   

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(5Z,8Z,11Z,14Z))

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(5Z,8Z,11Z,14Z))

C48H76O15P2 (954.4659)


   

PGP(20:4(8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

PGP(20:4(8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

C48H76O15P2 (954.4659)


   

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z))

PGP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:4(8Z,11Z,14Z,17Z))

C48H76O15P2 (954.4659)


   

PGP(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

PGP(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

C48H76O15P2 (954.4659)


   

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(8Z,11Z,14Z,17Z))

PGP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:4(8Z,11Z,14Z,17Z))

C48H76O15P2 (954.4659)


   

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

C48H76O15P2 (954.4659)


   

PGP(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PGP(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C48H76O15P2 (954.4659)


   

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))

C48H76O15P2 (954.4659)


   

PGP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PGP(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C48H76O15P2 (954.4659)


   

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

C48H76O15P2 (954.4659)


   

PGP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

PGP(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

C48H76O15P2 (954.4659)


   

Landomycin W

Landomycin W

C49H62O19 (954.3885)


A natural product found in Streptomyces cyanogenus.

   
   
   
   

(2s)-n-[(2s,5s,8s,11s,12s,15s,18s,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

(2s)-n-[(2s,5s,8s,11s,12s,15s,18s,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

C46H63ClN8O12 (954.4254)


   

n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,11z,13s,16s,18s,20s,21r,22s)-17-{[(2r,4r,5r,6s)-5-(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,11,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid

n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,11z,13s,16s,18s,20s,21r,22s)-17-{[(2r,4r,5r,6s)-5-(acetyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,11,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid

C49H66N2O17 (954.4361)


   

(3s,6s,9s,12s,15s,18s,21s,24s,29as)-24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one

(3s,6s,9s,12s,15s,18s,21s,24s,29as)-24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one

C44H62N10O14 (954.4447)


   

βetavulgaroside i

NA

C47H70O20 (954.446)


{"Ingredient_id": "HBIN018105","Ingredient_name": "\u03b2etavulgaroside i","Alias": "NA","Ingredient_formula": "C47H70O20","Ingredient_Smile": "CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C7C(C(O6)C(=O)O)OC(C(O7)OCC(=O)O)(C(=O)O)O)O)C)C)C2C1)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2323","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-(acetyloxy)-5-hydroxy-2-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy}oxan-3-yl}oxy)-6-methyloxan-4-yl acetate

3-(acetyloxy)-5-hydroxy-2-({5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy}oxan-3-yl}oxy)-6-methyloxan-4-yl acetate

C47H70O20 (954.446)


   

(2s,3s)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2s,4r,5r,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one

(2s,3s)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2s,4r,5r,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one

C46H66O21 (954.4096)


   

(2s,3r,4r,5s,6s)-3-(acetyloxy)-5-hydroxy-2-{[(2s,3r,4s,5s)-5-hydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-[(1's,2s,2's,3s,4s,4's,7's,8'r,9's,12's,13'r,14'r,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-6-methyloxan-4-yl acetate

(2s,3r,4r,5s,6s)-3-(acetyloxy)-5-hydroxy-2-{[(2s,3r,4s,5s)-5-hydroxy-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}-2-[(1's,2s,2's,3s,4s,4's,7's,8'r,9's,12's,13'r,14'r,16'r)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,4,16'-trioloxy]oxan-3-yl]oxy}-6-methyloxan-4-yl acetate

C47H70O20 (954.446)


   

5-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid

5-{[4,4,6a,6b,11,11,14b-heptamethyl-8a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid

C47H70O20 (954.446)


   

(2s)-n-[(2r,5s,8r,11r,12s,15s,18r,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

(2s)-n-[(2r,5s,8r,11r,12s,15s,18r,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

C46H63ClN8O12 (954.4254)


   

[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C44H74O20S (954.4494)


   

8-({5-[(4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-1,11-dihydroxy-3-methyltetraphene-7,12-dione

8-({5-[(4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-1,11-dihydroxy-3-methyltetraphene-7,12-dione

C49H62O19 (954.3885)


   

(1r,3s,6s,7e,13s,16r,17r,21s,22s)-17-{[(2s,4s,5r,6s)-5-{[(2r,4s,5s,6s)-4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid

(1r,3s,6s,7e,13s,16r,17r,21s,22s)-17-{[(2s,4s,5r,6s)-5-{[(2r,4s,5s,6s)-4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-28-hydroxy-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid

C50H63ClO16 (954.3804)


   

24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one

24-(4-aminobutyl)-3-benzyl-1,4,7,10,13,16,19,22-octahydroxy-6,12,18,21-tetrakis(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9-methyl-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-25-one

C44H62N10O14 (954.4447)


   

(1s,3r,6r,7e,13r,16s,17s,21r,22r)-17-[(5-{[4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-26-hydroxy-3,22-dimethyl-23,28-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25-tetraene-4-carboxylic acid

(1s,3r,6r,7e,13r,16s,17s,21r,22r)-17-[(5-{[4-(3-chloro-6-methoxy-2-methylbenzoyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl)oxy]-26-hydroxy-3,22-dimethyl-23,28-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25-tetraene-4-carboxylic acid

C50H63ClO16 (954.3804)


   

[(1r,2s,3as,3bs,7r,9r,9ar,9bs,11as)-9-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

[(1r,2s,3as,3bs,7r,9r,9ar,9bs,11as)-9-{[(2s,3r,4s,5r)-4,5-dihydroxy-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2s,3s)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid

C44H74O20S (954.4494)


   

(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid

(2s,3s,4s,5r,6r)-6-{[(2s,3r,4s,4ar,6ar,6bs,8as,12as,14ar,14br)-4-formyl-2-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxane-2-carboxylic acid

C47H70O20 (954.446)


   

(2s,3s)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one

(2s,3s)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2s,4r,5r,6r)-4-{[(2s,4r,5s,6r)-4-{[(2s,4s,5r,6r)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2s,4r,5s,6r)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-3,4-dihydro-2h-anthracen-1-one

C46H66O21 (954.4096)


   

(2r,3s,4as,5s,7s,8r,8ar)-5-{[(3r,4ar,6as,6bs,8ar,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid

(2r,3s,4as,5s,7s,8r,8ar)-5-{[(3r,4ar,6as,6bs,8ar,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid

C47H70O20 (954.446)


   

(2r,3r,4ar,5r,7s,8s,8as)-5-{[(3s,4ar,6ar,6bs,8as,12ar,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid

(2r,3r,4ar,5r,7s,8s,8as)-5-{[(3s,4ar,6ar,6bs,8as,12ar,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-(carboxymethoxy)-2,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-2,7-dicarboxylic acid

C47H70O20 (954.446)


   

(2s)-n-[(2r,5s,8s,11s,12s,15s,18s,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

(2s)-n-[(2r,5s,8s,11s,12s,15s,18s,21r)-2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl]-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

C46H63ClN8O12 (954.4254)


   

n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,10e,13s,16s,17s,18s,20s,21r,22r)-17-{[(2r,4r,5s,6s)-4-(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,10,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid

n-[(2r,3r,4s,6r)-6-{[(5s,6r,9s,10e,13s,16s,17s,18s,20s,21r,22r)-17-{[(2r,4r,5s,6s)-4-(acetyloxy)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-formyl-5,23-dihydroxy-8,12,18,20,22-pentamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]heptacosa-3,7,10,14,23-pentaen-9-yl]oxy}-2,4-dimethyl-4-nitrooxan-3-yl]methoxycarboximidic acid

C49H66N2O17 (954.4361)


   

(2s,3r,4as,5s,7r,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

(2s,3r,4as,5s,7r,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

C47H70O20 (954.446)


   

n-{2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl}-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

n-{2-benzyl-5-[(3-chloro-4-hydroxyphenyl)methyl]-6,13,16,21-tetrahydroxy-8-isopropyl-4,11-dimethyl-15-(2-methylpropyl)-3,9,22-trioxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosa-6,13,16-trien-12-yl}-2-[(1-hydroxyethylidene)amino]pentanediimidic acid

C46H63ClN8O12 (954.4254)


   

(2s,3r,4as,5s,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

(2s,3r,4as,5s,8r,8ar)-7-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-2-(carboxymethoxy)-3,8-dihydroxy-hexahydropyrano[3,4-b][1,4]dioxine-3,5-dicarboxylic acid

C47H70O20 (954.446)