Exact Mass: 1012.565295

Exact Mass Matches: 1012.565295

Found 103 metabolites which its exact mass value is equals to given mass value 1012.565295, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PIP(18:1(11Z)/18:3(6Z,9Z,12Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-hydroxy-3-[(2S)-3-[(11Z)-octadec-11-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C48H86O18P2 (1012.5289116)


PIP(18:1(11Z)/18:3(6Z,9Z,12Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:1(11Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of vaccenic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The vaccenic acid moiety is derived from butter fat and animal fat, while the g-linolenic acid moiety is derived from animal fats. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP(18:1(11Z)/18:3(6Z,9Z,12Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:1(11Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of vaccenic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The vaccenic acid moiety is derived from butter fat and animal fat, while the g-linolenic acid moiety is derived from animal fats. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(18:1(9Z)/18:3(6Z,9Z,12Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-hydroxy-3-[(2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C48H86O18P2 (1012.5289116)


PIP(18:1(9Z)/18:3(6Z,9Z,12Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:1(9Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of oleic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The oleic acid moiety is derived from vegetable oils, especially olive and canola oil, while the g-linolenic acid moiety is derived from animal fats. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP(18:1(9Z)/18:3(6Z,9Z,12Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:1(9Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of oleic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The oleic acid moiety is derived from vegetable oils, especially olive and canola oil, while the g-linolenic acid moiety is derived from animal fats. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(18:3(6Z,9Z,12Z)/18:1(11Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-hydroxy-3-[(2S)-2-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C48H86O18P2 (1012.5289116)


PIP(18:3(6Z,9Z,12Z)/18:1(11Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:3(6Z,9Z,12Z)/18:1(11Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of vaccenic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the vaccenic acid moiety is derived from butter fat and animal fat. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP(18:3(6Z,9Z,12Z)/18:1(11Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:3(6Z,9Z,12Z)/18:1(11Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of vaccenic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the vaccenic acid moiety is derived from butter fat and animal fat. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(18:3(6Z,9Z,12Z)/18:1(9Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-hydroxy-3-[(2S)-2-[(9Z)-octadec-9-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C48H86O18P2 (1012.5289116)


PIP(18:3(6Z,9Z,12Z)/18:1(9Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:3(6Z,9Z,12Z)/18:1(9Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of oleic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the oleic acid moiety is derived from vegetable oils, especially olive and canola oil. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol. [HMDB] PIP(18:3(6Z,9Z,12Z)/18:1(9Z)) is a phosphatidylinositol phosphate. Phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositols phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 18 and 20 carbons are the most common. PIP(18:3(6Z,9Z,12Z)/18:1(9Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of oleic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the oleic acid moiety is derived from vegetable oils, especially olive and canola oil. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositols phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PGP(i-24:0/PGF2alpha)

[(2S)-3-({[(2R)-2-{[(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoyl]oxy}-3-[(22-methyltricosanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C50H94O16P2 (1012.6016784)


PGP(i-24:0/PGF2alpha) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-24:0/PGF2alpha), in particular, consists of one chain of one 22-methyltricosanoyl at the C-1 position and one chain of Prostaglandin F2alpha 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(PGF2alpha/i-24:0)

[(2S)-3-({[(2R)-3-{[(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]hept-5-enoyl]oxy}-2-[(22-methyltricosanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C50H94O16P2 (1012.6016784)


PGP(PGF2alpha/i-24:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(PGF2alpha/i-24:0), in particular, consists of one chain of one Prostaglandin F2alpha at the C-1 position and one chain of 22-methyltricosanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-24:0/PGE1)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-({7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoyl}oxy)-3-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C50H94O16P2 (1012.6016784)


PGP(i-24:0/PGE1) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-24:0/PGE1), in particular, consists of one chain of one 22-methyltricosanoyl at the C-1 position and one chain of Prostaglandin E1 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(PGE1/i-24:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-({7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoyl}oxy)-2-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C50H94O16P2 (1012.6016784)


PGP(PGE1/i-24:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(PGE1/i-24:0), in particular, consists of one chain of one Prostaglandin E1 at the C-1 position and one chain of 22-methyltricosanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-24:0/PGD1)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-({7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoyl}oxy)-3-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C50H94O16P2 (1012.6016784)


PGP(i-24:0/PGD1) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(i-24:0/PGD1), in particular, consists of one chain of one 22-methyltricosanoyl at the C-1 position and one chain of Prostaglandin D1 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(PGD1/i-24:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-({7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoyl}oxy)-2-[(22-methyltricosanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C50H94O16P2 (1012.6016784)


PGP(PGD1/i-24:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphoglycerophosphates can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PGP(PGD1/i-24:0), in particular, consists of one chain of one Prostaglandin D1 at the C-1 position and one chain of 22-methyltricosanoyl 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).

   

PIP(20:0/20:3(6,8,11)-OH(5))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-2-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}-3-(icosanoyloxy)propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C49H90O17P2 (1012.565295)


PIP(20:0/20:3(6,8,11)-OH(5)) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(20:0/20:3(6,8,11)-OH(5)), in particular, consists of one chain of eicosanoyl at the C-1 position and one chain of 5-hydroxyeicosatetrienoyl at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   

PIP(20:3(6,8,11)-OH(5)/20:0)

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-3-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}-2-(icosanoyloxy)propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C49H90O17P2 (1012.565295)


PIP(20:3(6,8,11)-OH(5)/20:0) is an oxidized phosphatidylinositol phosphate (PIP). As other PIPs, oxidized phosphatidylinositol phosphates are acidic (anionic) phospholipids that consist of a phosphatidic acid backbone, linked via the phosphate group to a phosphorylated inositol (hexahydroxycyclohexane). Phosphatidylinositol phosphates are generated from phosphatidylinositols, which are phosphorylated by a number of different kinases that place the phosphate moiety on positions 4 and 5 of the inositol ring, although position 3 can also be phosphorylated. Phosphatidylinositol phosphates can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PIP(20:3(6,8,11)-OH(5)/20:0), in particular, consists of one chain of 5-hydroxyeicosatetrienoyl at the C-1 position and one chain of eicosanoyl at the C-2 position. The most important phosphatidylinositol phosphate in both quantitative and biological terms is phosphatidylinositol 4-phosphate. Phosphatidylinositol and the phosphatidylinositol phosphates are the main source of diacylglycerols that serve as signaling molecules, via the action of phospholipase C enzymes. Phosphatidylinositol phosphates are usually present at low levels only in tissues, typically at about 1 to 3\\% of the concentration of phosphatidylinositol.

   
   
   

Calendulaglycoside C 6-butyl ester

Calendulaglycoside C 6-butyl ester

C52H84O19 (1012.5606514000001)


   

Calendulaglycoside B 6-butyl ester

Calendulaglycoside B 6-butyl ester

C52H84O19 (1012.5606514000001)


   
   
   

??-D-Xylopyranosyl-(1鈥樏傗垎3)-??-D-xylopyranosyl-(1鈥樏傗垎4)-??-L-rhamnopyranosyl-(1鈥樏傗垎2)-??-D-xylopyranosyl gypsogenin

??-D-Xylopyranosyl-(1鈥樏傗垎3)-??-D-xylopyranosyl-(1鈥樏傗垎4)-??-L-rhamnopyranosyl-(1鈥樏傗垎2)-??-D-xylopyranosyl gypsogenin

C51H80O20 (1012.5242680000001)


   

Adda-D-Glu(gamma)-Mdha-D-Ala-L-Leu-D-MeAsp(beta)-L-Arg-OH

Adda-D-Glu(gamma)-Mdha-D-Ala-L-Leu-D-MeAsp(beta)-L-Arg-OH

C49H76N10O13 (1012.5593046)


   
   

3-O-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranosyl(1->6)-4b-D-glucopyranosyl-28-O-tigloyl chichipegenin

3-O-beta-D-xylopyranosyl(1->6)-beta-D-glucopyranosyl(1->6)-4b-D-glucopyranosyl-28-O-tigloyl chichipegenin

C52H84O19 (1012.5606514000001)


   
   
   

calendulaglycoside B 6-O-n-butyl ester|oleanolic acid 3-O-beta-D-glucopyranosyl(1->2)-[beta-D-galactopyranosyl(1->3)]-beta-D-glucuronopyranoside-6-O-n-butyl ester

calendulaglycoside B 6-O-n-butyl ester|oleanolic acid 3-O-beta-D-glucopyranosyl(1->2)-[beta-D-galactopyranosyl(1->3)]-beta-D-glucuronopyranoside-6-O-n-butyl ester

C52H84O19 (1012.5606514000001)


   

28-O-beta-D-glucopyranosyloleanolic acid 3-O-beta-D-galactopyranosyl(1->3)-beta-D-glucuronopyranoside-6-O-n-butyl ester|calendulaglycoside C 6-O-n-butyl ester

28-O-beta-D-glucopyranosyloleanolic acid 3-O-beta-D-galactopyranosyl(1->3)-beta-D-glucuronopyranoside-6-O-n-butyl ester|calendulaglycoside C 6-O-n-butyl ester

C52H84O19 (1012.5606514000001)


   

(Mser7)microcystin-LR|microcystin-LR

(Mser7)microcystin-LR|microcystin-LR

C49H76N10O13 (1012.5593046)


   

L-Leu-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH

L-Leu-D-MeAsp(beta)-L-Arg-Adda-D-Glu(gamma)-Mdha-D-Ala-OH

C49H76N10O13 (1012.5593046)


   

10-[6-[[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

NCGC00380211-01!10-[6-[[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

C51H80O20 (1012.5242680000001)


   

PIP(36:4)

1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phospho-(1-myo-inositol-3-phosphate)

C48H86O18P2 (1012.5289116)


   

PIM1 35:1

2-O-(alpha-D-Manp)-(1-heptadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol)

C50H93O18P (1012.6099208)


   
   
   
   
   
   
   

PIP(20:0/20:3(6,8,11)-OH(5))

PIP(20:0/20:3(6,8,11)-OH(5))

C49H90O17P2 (1012.565295)


   

PIP(20:3(6,8,11)-OH(5)/20:0)

PIP(20:3(6,8,11)-OH(5)/20:0)

C49H90O17P2 (1012.565295)


   

[1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C57H88O15 (1012.6122898)


   

[1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

[1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate

C57H88O15 (1012.6122898)


   
   
   
   
   
   

Ac2PIM1 16:1(methyl)_18:0(methyl)

Ac2PIM1 16:1(methyl)_18:0(methyl)

C50H93O18P (1012.6099208)


   

10-[6-[[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

10-[6-[[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

C51H80O20 (1012.5242680000001)


   

[1-[(Z)-heptadec-7-enoyl]oxy-3-[hydroxy-[2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] octadecanoate

[1-[(Z)-heptadec-7-enoyl]oxy-3-[hydroxy-[2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] octadecanoate

C50H93O18P (1012.6099208)


   

[1-[(Z)-hexadec-7-enoyl]oxy-3-[hydroxy-[2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] 10-methyloctadecanoate

[1-[(Z)-hexadec-7-enoyl]oxy-3-[hydroxy-[2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] 10-methyloctadecanoate

C50H93O18P (1012.6099208)


   

[(2S)-1-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

[(2S)-1-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

C57H88O15 (1012.6122898)


   

[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate

[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate

C57H88O15 (1012.6122898)


   

[(2S)-1-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate

[(2S)-1-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate

C57H88O15 (1012.6122898)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (11E,14E,17E,20E,23E)-hexacosa-11,14,17,20,23-pentaenoate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (11E,14E,17E,20E,23E)-hexacosa-11,14,17,20,23-pentaenoate

C57H88O15 (1012.6122898)


   

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (8E,11E,14E,17E,20E,23E)-hexacosa-8,11,14,17,20,23-hexaenoate

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (8E,11E,14E,17E,20E,23E)-hexacosa-8,11,14,17,20,23-hexaenoate

C57H88O15 (1012.6122898)


   

[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (5E,8E,11E,14E,17E,20E,23E)-hexacosa-5,8,11,14,17,20,23-heptaenoate

[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (5E,8E,11E,14E,17E,20E,23E)-hexacosa-5,8,11,14,17,20,23-heptaenoate

C57H88O15 (1012.6122898)


   

[(2R)-2-[(7E,10E,13E,16E)-icosa-7,10,13,16-tetraenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

[(2R)-2-[(7E,10E,13E,16E)-icosa-7,10,13,16-tetraenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

C57H88O15 (1012.6122898)


   

[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

[(2R)-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoate

C57H88O15 (1012.6122898)


   

[(2S)-1-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

[(2S)-1-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

C57H88O15 (1012.6122898)


   

[(2S)-1-[(7E,10E,13E,16E)-icosa-7,10,13,16-tetraenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

[(2S)-1-[(7E,10E,13E,16E)-icosa-7,10,13,16-tetraenoyl]oxy-3-[(2S,5S,6S)-3,4,5-trihydroxy-6-[[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

C57H88O15 (1012.6122898)


   

[(2R)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

[(2R)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-[[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate

C57H88O15 (1012.6122898)


   

2-O-(alpha-D-Manp)-(1-heptadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol)

2-O-(alpha-D-Manp)-(1-heptadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-1-myo-inositol)

C50H93O18P (1012.6099208)


   
   
   
   
   
   
   
   
   
   

Cardiotoxin Analog (CTX) IV (6-12) (TFA)

Cardiotoxin Analog (CTX) IV (6-12) (TFA)

C50H71F3N10O9 (1012.5357312)


Cardiotoxin Analog (CTX) IV (6-12) (TFA) is a part peptide of Cardiotoxin Analog (CTX) IV. Cardiotoxin analogues IV isolated from the venom of Taiwan Cobra. CTX IV is an unique snake venom cardiotoxin[1].

   

4,5-dihydroxy-10-[(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-3-yl 2-methylbut-2-enoate

4,5-dihydroxy-10-[(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-3-yl 2-methylbut-2-enoate

C52H84O19 (1012.5606514000001)


   

(2r,4z,7e,10r)-10-[(1r,4s,5r,6s,7r,8r,11r,12s,13r,15s,18r,19s,21r,25s,29r,31r,33r,35r,36s)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.1¹,⁵.1¹¹,¹⁵.1¹⁵,¹⁹.1²⁵,²⁹]tritetracont-37-en-21-yl]-2,10-dihydroxydeca-4,7-dienoic acid

(2r,4z,7e,10r)-10-[(1r,4s,5r,6s,7r,8r,11r,12s,13r,15s,18r,19s,21r,25s,29r,31r,33r,35r,36s)-6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.1¹,⁵.1¹¹,¹⁵.1¹⁵,¹⁹.1²⁵,²⁹]tritetracont-37-en-21-yl]-2,10-dihydroxydeca-4,7-dienoic acid

C52H84O19 (1012.5606514000001)


   

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4r,5s,6s)-4-{[(2s,3r,4s,5r)-4-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4r,5s,6s)-4-{[(2s,3r,4s,5r)-4-{[(2s,3r,4r,5r,6s)-4,5-dihydroxy-6-methyl-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

10-[(3-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

10-[(3-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

10-{6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.1¹,⁵.1¹¹,¹⁵.1¹⁵,¹⁹.1²⁵,²⁹]tritetracont-37-en-21-yl}-2,10-dihydroxydeca-4,7-dienoic acid

10-{6,7,12,19,31,33-hexahydroxy-4,13-dimethoxy-8,18,36-trimethyl-23-oxo-22,39,40,41,42,43-hexaoxahexacyclo[33.3.1.1¹,⁵.1¹¹,¹⁵.1¹⁵,¹⁹.1²⁵,²⁹]tritetracont-37-en-21-yl}-2,10-dihydroxydeca-4,7-dienoic acid

C52H84O19 (1012.5606514000001)


   

β-d-xylopyranosyl-(1→3)-β-d-xylopyranosyl-(1→4)-α-l-rhamnopyranosyl-(1→2)-β-d-xy-lopyranosyl gypsogenin

NA

C51H80O20 (1012.5242680000001)


{"Ingredient_id": "HBIN018085","Ingredient_name": "\u03b2-d-xylopyranosyl-(1\u21923)-\u03b2-d-xylopyranosyl-(1\u21924)-\u03b1-l-rhamnopyranosyl-(1\u21922)-\u03b2-d-xy-lopyranosyl gypsogenin","Alias": "NA","Ingredient_formula": "C51H80O20","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22826","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

beta-d-xylopyranosyl-(1-3)-beta-d-xyloyranosyl-(1-4)-alpha-l-rhamnopyranosyl-(1-2)-beta-d-xylopyranosyl ester of gypsogenin

NA

C51H80O20 (1012.5242680000001)


{"Ingredient_id": "HBIN018086","Ingredient_name": "beta-d-xylopyranosyl-(1-3)-beta-d-xyloyranosyl-(1-4)-alpha-l-rhamnopyranosyl-(1-2)-beta-d-xylopyranosyl ester of gypsogenin","Alias": "NA","Ingredient_formula": "C51H80O20","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32243","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(2s)-2-{[(2s,3r)-3-{[(2s)-2-{[(2r)-2-({2-[(2r)-2-{[(2s,3s,4e,6e,8s,9s)-3-amino-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-carboxy-n-methylbutanamido]-1-hydroxyprop-2-en-1-ylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxy-2-methylpropylidene]amino}-5-carbamimidamidopentanoic acid

(2s)-2-{[(2s,3r)-3-{[(2s)-2-{[(2r)-2-({2-[(2r)-2-{[(2s,3s,4e,6e,8s,9s)-3-amino-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-carboxy-n-methylbutanamido]-1-hydroxyprop-2-en-1-ylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxy-2-methylpropylidene]amino}-5-carbamimidamidopentanoic acid

C49H76N10O13 (1012.5593046)


   

10-{[6-(butoxycarbonyl)-5-hydroxy-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

10-{[6-(butoxycarbonyl)-5-hydroxy-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

[(4s,4as,5s,6as,6br,8ar,10s,12ar,12br,14bs)-4,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-4a-yl]methyl (2e)-2-methylbut-2-enoate

[(4s,4as,5s,6as,6br,8ar,10s,12ar,12br,14bs)-4,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicen-4a-yl]methyl (2e)-2-methylbut-2-enoate

C52H84O19 (1012.5606514000001)


   

(2s)-2-{[(2s,3r)-3-{[(2s)-2-{[(2r)-2-({2-[(4r)-4-{[(2s,3s,4e,6e,8s,9s)-3-amino-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-carboxy-n-methylbutanamido]-1-hydroxyprop-2-en-1-ylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxy-2-methylpropylidene]amino}-5-carbamimidamidopentanoic acid

(2s)-2-{[(2s,3r)-3-{[(2s)-2-{[(2r)-2-({2-[(4r)-4-{[(2s,3s,4e,6e,8s,9s)-3-amino-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-carboxy-n-methylbutanamido]-1-hydroxyprop-2-en-1-ylidene}amino)-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxy-2-methylpropylidene]amino}-5-carbamimidamidopentanoic acid

C49H76N10O13 (1012.5593046)


   

(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s,6r)-6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4ar,6as,6br,8ar,10r,12as,12br,13r,14bs)-10-hydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylate

(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s,6r)-6-[(acetyloxy)methyl]-3,4-dihydroxy-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl (4ar,6as,6br,8ar,10r,12as,12br,13r,14bs)-10-hydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylate

C51H80O20 (1012.5242680000001)


   

(3s,6s,9s,12s,15s,18s,21s)-5,8,11,14,17,20-hexahydroxy-12-[(2r)-3-hydroxy-2-methylpropyl]-15-[(r)-hydroxy[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-3-isopropyl-6-[(r)-methoxy(phenyl)methyl]-1,9-dimethyl-18-[(2r)-4-methylpent-3-en-2-yl]-21-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-4,7,10,13,16,19-hexaen-2-one

(3s,6s,9s,12s,15s,18s,21s)-5,8,11,14,17,20-hexahydroxy-12-[(2r)-3-hydroxy-2-methylpropyl]-15-[(r)-hydroxy[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-3-isopropyl-6-[(r)-methoxy(phenyl)methyl]-1,9-dimethyl-18-[(2r)-4-methylpent-3-en-2-yl]-21-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosa-4,7,10,13,16,19-hexaen-2-one

C55H80N8O10 (1012.5997100000001)


   

(4r)-4-{[(2s,3r,4e,6e,8s,9s)-3-{[(2s)-2-{[(2r)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methoxy-4-oxobutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-[(1-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}eth-1-en-1-yl)(methyl)carbamoyl]butanoic acid

(4r)-4-{[(2s,3r,4e,6e,8s,9s)-3-{[(2s)-2-{[(2r)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-4-methoxy-4-oxobutylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-[(1-{[(1s)-1-carboxyethyl]-c-hydroxycarbonimidoyl}eth-1-en-1-yl)(methyl)carbamoyl]butanoic acid

C49H76N10O13 (1012.5593046)


   

6-[({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 10-hydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylate

6-[({6-[(acetyloxy)methyl]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl 10-hydroxy-13-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-1h-picene-4a-carboxylate

C51H80O20 (1012.5242680000001)


   

15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-18-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C49H76N10O13 (1012.5593046)


   

(2r)-2-{[(2s,3s,4e,6e,8s,9s)-3-{[(2s)-2-{[(2s,3r)-3-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxy-2-methylpropylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-[(1-{[(1r)-1-carboxyethyl]-c-hydroxycarbonimidoyl}eth-1-en-1-yl)(methyl)carbamoyl]butanoic acid

(2r)-2-{[(2s,3s,4e,6e,8s,9s)-3-{[(2s)-2-{[(2s,3r)-3-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-carboxy-1-hydroxy-2-methylpropylidene]amino}-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-[(1-{[(1r)-1-carboxyethyl]-c-hydroxycarbonimidoyl}eth-1-en-1-yl)(methyl)carbamoyl]butanoic acid

C49H76N10O13 (1012.5593046)


   

butyl (2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(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-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

butyl (2s,3s,4s,5r,6r)-6-{[(3s,4ar,6ar,6bs,8as,12as,14ar,14br)-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(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-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

C52H84O19 (1012.5606514000001)


   

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

(5r,8s,11r,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C49H76N10O13 (1012.5593046)


   

2-{[(4e,6e)-3-amino-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-({1-[(1-{[1-({2-[(4-carbamimidamido-1-carboxybutyl)-c-hydroxycarbonimidoyl]-1-carboxy-2-methylethyl}-c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}ethyl)-c-hydroxycarbonimidoyl]eth-1-en-1-yl}(methyl)carbamoyl)butanoic acid

2-{[(4e,6e)-3-amino-1-hydroxy-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dien-1-ylidene]amino}-4-({1-[(1-{[1-({2-[(4-carbamimidamido-1-carboxybutyl)-c-hydroxycarbonimidoyl]-1-carboxy-2-methylethyl}-c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}ethyl)-c-hydroxycarbonimidoyl]eth-1-en-1-yl}(methyl)carbamoyl)butanoic acid

C49H76N10O13 (1012.5593046)


   

(2s,5r,8s,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

(2s,5r,8s,12s,15s,18s,19s,22r)-15-(3-carbamimidamidopropyl)-3,6,9,13,16,20-hexahydroxy-2-(hydroxymethyl)-18-[(1e,3e,5s,6s)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-8-(2-methylpropyl)-25-oxo-1,4,7,10,14,17,21-heptaazacyclopentacosa-3,6,9,13,16,20-hexaene-11,22-dicarboxylic acid

C49H76N10O13 (1012.5593046)


   

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6s)-6-(butoxycarbonyl)-5-hydroxy-4-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6s)-6-(butoxycarbonyl)-5-hydroxy-4-{[(2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6s)-6-(butoxycarbonyl)-5-hydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4s,5s,6s)-6-(butoxycarbonyl)-5-hydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2s,3r,4s,5s)-3-{[(2s,3r,4r,5s,6s)-4-{[(2s,3r,4s,5r)-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(4as,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2s,3r,4s,5s)-3-{[(2s,3r,4r,5s,6s)-4-{[(2s,3r,4s,5r)-3,5-dihydroxy-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

10-[(4-{[4-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

10-[(4-{[4-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyoxan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

butyl 6-{[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}-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

butyl 6-{[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}-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

C52H84O19 (1012.5606514000001)


   

(4as,6as,6br,10s,12ar,12br,14br)-10-{[(2s,3r,4s,5s)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})-4-{[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(4as,6as,6br,10s,12ar,12br,14br)-10-{[(2s,3r,4s,5s)-3,5-bis({[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})-4-{[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C52H84O19 (1012.5606514000001)


   

butyl (2s,3s,4s,5r,6r)-6-{[(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}-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

butyl (2s,3s,4s,5r,6r)-6-{[(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}-3,5-dihydroxy-4-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

C52H84O19 (1012.5606514000001)