Exact Mass: 1048.5593046

Exact Mass Matches: 1048.5593046

Found 93 metabolites which its exact mass value is equals to given mass value 1048.5593046, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Protodioscin

2-[(4-hydroxy-6-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


Protodioscin is a spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc attached to position 3 of 26-(beta-D-glucopyranosyloxy)-3beta,22-dihydroxyfurost-5-ene via a glycosidic linkage. Found in several plant species including yams, asparagus and funugreek. It has a role as a metabolite. It is a steroid saponin, a trisaccharide derivative, a beta-D-glucoside, a pentacyclic triterpenoid and a cyclic hemiketal. It is functionally related to a diosgenin. It derives from a hydride of a spirostan. Protodioscin is a natural product found in Dracaena draco, Borassus flabellifer, and other organisms with data available. See also: Fenugreek seed (part of). Asparasaponin I is found in fenugreek. Asparasaponin I is a bitter principle from white asparagus shoots (Asparagus officinalis) and fenugreek (Trigonella foenum-graecum From Asparagus officinalis (asparagus) Protodioscin, a major steroidal saponin in Trigonella foenum-graecum Linn., has been shown to exhibit multiple biological actions, such as anti-hyperlipidemia, anti-cancer, sexual effects and cardiovascular properties. Protodioscin, a major steroidal saponin in Trigonella foenum-graecum Linn., has been shown to exhibit multiple biological actions, such as anti-hyperlipidemia, anti-cancer, sexual effects and cardiovascular properties.

   

Parillin

2-[(4-hydroxy-6-{5,7,9,13-tetramethyl-5-oxaspiro[oxane-2,6-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


Parillin is found in herbs and spices. Parillin is a constituent of Mexican sarsaparilla root (Smilax aristolochiaefolia). Constituent of Mexican sarsaparilla root (Smilax aristolochiaefolia). Parillin is found in herbs and spices.

   
   
   
   

Trigofoenoside E1

2-[4-(16-{[4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


Trigofoenoside E1 is found in herbs and spices. Trigofoenoside E1 is isolated from fenugreek seeds. Isolated from fenugreek seeds. Trigofoenoside E1 is found in herbs and spices.

   

Tuberoside B (Allium tuberosum)

2-[(4-hydroxy-6-{[15-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-16-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


Tuberoside B (Allium tuberosum) is found in onion-family vegetables. Tuberoside B (Allium tuberosum) is a constituent of Allium tuberosum (Chinese chives) Constituent of Allium tuberosum (Chinese chives). Tuberoside B (Allium tuberosum) is found in onion-family vegetables.

   

PIP(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

{[(1R,3S)-3-({[(2R)-2-{[(5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-3-[(11Z)-icos-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)), in particular, consists of one chain of 11Z-eicosenoyl at the C-1 position and one chain of Resolvin D5 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:1(11Z))

{[(1R,3S)-3-({[(2R)-3-{[(5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoyl]oxy}-2-[(11Z)-icos-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:1(11Z)) 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(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:1(11Z)), in particular, consists of one chain of Resolvin D5 at the C-1 position and one chain of 11Z-eicosenoyl 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(20:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

{[(1R,3S)-3-({[(2R)-2-{[(4Z,7Z,10R,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-3-[(11Z)-icos-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(20:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 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(20:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)), in particular, consists of one chain of 11Z-eicosenoyl at the C-1 position and one chain of Protectin DX 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:1(11Z))

{[(1R,3S)-3-({[(2R)-3-{[(4Z,7Z,10S,11E,13Z,15E,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoyl]oxy}-2-[(11Z)-icos-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:1(11Z)) 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(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:1(11Z)), in particular, consists of one chain of Protectin DX at the C-1 position and one chain of 11Z-eicosenoyl 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(22:2(13Z,16Z)/PGJ2)

{[(1S,6R,12Z,15S,19R,20R,21R,22R,23S,24R)-6-{[(13Z,16Z)-docosa-13,16-dienoyloxy]methyl}-3,20,22,23,24-pentahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8,18-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosa-12,16-dien-21-yl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(22:2(13Z,16Z)/PGJ2) 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(22:2(13Z,16Z)/PGJ2), in particular, consists of one chain of 13Z,16Z-docosadienoyl at the C-1 position and one chain of Prostaglandin J2 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(PGJ2/22:2(13Z,16Z))

{[(1S,6R,13Z,16S,20R,21R,22R,23R,24S,25R)-6-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3,21,23,24,25-pentahydroxy-20-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,9,19-trioxo-2,4,8-trioxa-3lambda5-phosphabicyclo[14.6.3]pentacosa-13,17-dien-22-yl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(PGJ2/22:2(13Z,16Z)) 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(PGJ2/22:2(13Z,16Z)), in particular, consists of one chain of Prostaglandin J2 at the C-1 position and one chain of 13Z,16Z-docosadienoyl 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(22:3(10Z,13Z,16Z)/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-[(10Z,13Z,16Z)-tricosa-10,13,16-trienoyloxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C52H90O17P2 (1048.5652949999999)


PIP(22:3(10Z,13Z,16Z)/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(22:3(10Z,13Z,16Z)/20:3(6,8,11)-OH(5)), in particular, consists of one chain of 10Z,13Z,16Z-docosenoyl 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)/22:3(10Z,13Z,16Z))

{[(1R,5S)-2,3,4,6-tetrahydroxy-5-({hydroxy[(2R)-3-{[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxy}-2-[(10Z,13Z,16Z)-tricosa-10,13,16-trienoyloxy]propoxy]phosphoryl}oxy)cyclohexyl]oxy}phosphonic acid

C52H90O17P2 (1048.5652949999999)


PIP(20:3(6,8,11)-OH(5)/22:3(10Z,13Z,16Z)) 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)/22:3(10Z,13Z,16Z)), in particular, consists of one chain of 5-hydroxyeicosatetrienoyl at the C-1 position and one chain of 10Z,13Z,16Z-docosenoyl 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(22:4(10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

{[(1R,3S)-3-({[(2R)-2-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-3-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(22:4(10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) 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(22:4(10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of 10Z,13Z,16Z,19Z-docosatetraenoyl at the C-1 position and one chain of 5,6-dihydroxyeicosatrienoyl 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(8Z,11Z,14Z)-2OH(5,6)/22:4(10Z,13Z,16Z,19Z))

{[(1R,3S)-3-({[(2R)-3-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(10Z,13Z,16Z,19Z)) 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(8Z,11Z,14Z)-2OH(5,6)/22:4(10Z,13Z,16Z,19Z)), in particular, consists of one chain of 5,6-dihydroxyeicosatrienoyl at the C-1 position and one chain of 10Z,13Z,16Z,19Z-docosatetraenoyl 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(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

{[(1R,3S)-3-({[(2R)-2-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) 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(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of 7Z,10Z,13Z,16Z-docosatetraenoyl at the C-1 position and one chain of 5,6-dihydroxyeicosatrienoyl 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(8Z,11Z,14Z)-2OH(5,6)/22:4(7Z,10Z,13Z,16Z))

{[(1R,3S)-3-({[(2R)-3-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid

C51H86O18P2 (1048.5289116)


PIP(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(7Z,10Z,13Z,16Z)) 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(8Z,11Z,14Z)-2OH(5,6)/22:4(7Z,10Z,13Z,16Z)), in particular, consists of one chain of 5,6-dihydroxyeicosatrienoyl at the C-1 position and one chain of 7Z,10Z,13Z,16Z-docosatetraenoyl 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.

   

Avenacin B2

21-formyl-23-hydroxy-9-{[4-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-6,10,10,14,15,18,21-heptamethyl-2-oxahexacyclo[13.8.0.0¹,³.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]tricosan-20-yl benzoate

C54H80O20 (1048.5242680000001)


Avenacin b2 is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Avenacin b2 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Avenacin b2 can be found in cereals and cereal products and oat, which makes avenacin b2 a potential biomarker for the consumption of these food products.

   

Polyphyllin VII

(2S,3R,4R,5R,6S)-2-[(2S,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


   
   
   
   
   
   
   
   
   

26-O-beta-D-glucopyranosyl-(25S)-5beta-furost-20(22)-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranoside|26-O-beta-D-glucopyranosyl-(25S)-5beta-furost-20(22)-en-3beta,26-diol-3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranoside|tribulosaponin B

26-O-beta-D-glucopyranosyl-(25S)-5beta-furost-20(22)-en-3beta,26-diol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranoside|26-O-beta-D-glucopyranosyl-(25S)-5beta-furost-20(22)-en-3beta,26-diol-3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranoside|tribulosaponin B

C51H84O22 (1048.5453964)


   

(3beta,22alpha,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-D-apio-beta-D-furanosyl-(1->4)-O-[alpha-L-rhamnopyranosyl-(1->2)]-beta-D-glucopyranoside

(3beta,22alpha,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-D-apio-beta-D-furanosyl-(1->4)-O-[alpha-L-rhamnopyranosyl-(1->2)]-beta-D-glucopyranoside

C51H84O22 (1048.5453964)


   
   

(11S)-jalapinolic acid 11-O-beta-D-glucopyranosyl-(1?3)-O-[alpha-L-rhamnopyranosyl-(1?4)]-O-[alpha-L-rhamnopyranosyl-(1?4)]-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside methyl ester|operculinic acid B methyl ester|operculinic acid B methylester

(11S)-jalapinolic acid 11-O-beta-D-glucopyranosyl-(1?3)-O-[alpha-L-rhamnopyranosyl-(1?4)]-O-[alpha-L-rhamnopyranosyl-(1?4)]-O-[alpha-L-rhamnopyranosyl-(1?2)]-beta-D-glucopyranoside methyl ester|operculinic acid B methyl ester|operculinic acid B methylester

C47H84O25 (1048.5301414)


   

Tyr-His-Ile-Phe-Asn-Asp-Ile-Lys

Tyr-His-Ile-Phe-Asn-Asp-Ile-Lys

C50H72N12O13 (1048.5341542)


   
   
   

3-(O-beta-D-xylopyranosyl-(1->2)-alpha-L-rhamnopyranosyl)-6alpha-O-beta-D-xylopyranosyl-22-O-beta-D-glucopyranosyl-16beta-hydroxyhopane|lotoideside A

3-(O-beta-D-xylopyranosyl-(1->2)-alpha-L-rhamnopyranosyl)-6alpha-O-beta-D-xylopyranosyl-22-O-beta-D-glucopyranosyl-16beta-hydroxyhopane|lotoideside A

C52H88O21 (1048.5817798)


   
   

(3beta,20S)-3,19,20,21-tetrahydroxydammar-24-ene 3-O-{[alpha-L-rhamnopyranosyl-(1-2)]-[beta-D-xylopyranosyl-(1-3)]-alpha-L-arabinopyranosyl}-21-O-beta-D-glucopyranoside

(3beta,20S)-3,19,20,21-tetrahydroxydammar-24-ene 3-O-{[alpha-L-rhamnopyranosyl-(1-2)]-[beta-D-xylopyranosyl-(1-3)]-alpha-L-arabinopyranosyl}-21-O-beta-D-glucopyranoside

C52H88O21 (1048.5817798)


   

(S)-12-hydroxyheptadecanoic acid 12-O-beta-D-glucopyranosyl-(1->3)-O-[alpha-L-rhamnopyranosyl-(1->4)]-O-alpha-L-rhamnopyranosyl-(1->4)-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside|turpethic acid C

(S)-12-hydroxyheptadecanoic acid 12-O-beta-D-glucopyranosyl-(1->3)-O-[alpha-L-rhamnopyranosyl-(1->4)]-O-alpha-L-rhamnopyranosyl-(1->4)-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside|turpethic acid C

C47H84O25 (1048.5301414)


   

26-O-beta-D-glucopyranosyl-(25S)-3beta,22xi,26-triol-furost-5-ene-3-O-alpha-L-rhamnopyranosyl-(1?2)-[alpha-L-rhamnopyranosyl-(1?3)]-beta-D-glucopyranoside

26-O-beta-D-glucopyranosyl-(25S)-3beta,22xi,26-triol-furost-5-ene-3-O-alpha-L-rhamnopyranosyl-(1?2)-[alpha-L-rhamnopyranosyl-(1?3)]-beta-D-glucopyranoside

C51H84O22 (1048.5453964)


   

gitogenin 3-O-{O-beta-D-glucopyranosyl-(1?2)-O-[beta-D-xylopyranosyl-(1?3)]-O-beta-D-glucopyranosyl-(1?4)-beta-D-galactopyranoside}

gitogenin 3-O-{O-beta-D-glucopyranosyl-(1?2)-O-[beta-D-xylopyranosyl-(1?3)]-O-beta-D-glucopyranosyl-(1?4)-beta-D-galactopyranoside}

C51H84O22 (1048.5453964)


   
   

(3beta,22alpha,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-D-apio-beta-D-furanosyl-(1-2)-O-<6-deoxy-alpha-L-mannopyranosyl-(1-4)>-beta-D-glucopyranoside

(3beta,22alpha,25R)-26-(beta-D-glucopyranosyloxy)-22-methoxyfurost-5-en-3-yl O-D-apio-beta-D-furanosyl-(1-2)-O-<6-deoxy-alpha-L-mannopyranosyl-(1-4)>-beta-D-glucopyranoside

C51H84O22 (1048.5453964)


   
   
   

26-O-beta-D-glucopyranosyl-(25S)-5alpha-furost-20(22)-ene-2alpha,3beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside|tuberoside B

26-O-beta-D-glucopyranosyl-(25S)-5alpha-furost-20(22)-ene-2alpha,3beta,26-triol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside|tuberoside B

C51H84O22 (1048.5453964)


   

3beta,19,20S,21-tetrahydroxydammar-24-ene 3-O-{[alpha-L-rhamnopyranosyl(1->2)][beta-D-xylopyranosyl(1->3)]-alpha-L-arabinopyranosyl}-21-O-beta-D-glucopyranoside

3beta,19,20S,21-tetrahydroxydammar-24-ene 3-O-{[alpha-L-rhamnopyranosyl(1->2)][beta-D-xylopyranosyl(1->3)]-alpha-L-arabinopyranosyl}-21-O-beta-D-glucopyranoside

C52H88O21 (1048.5817798)


   

26-O-beta-D-glucopyranosyl-22-O-methyl-5alpha-furost-25(27)-ene-1beta,3beta,22xi,26-tetrol 1-O-{O-alpha-L-rhamnopyranosyl-(1 -> 2)-O-[beta-D-xylopyranosyl-(1 -> 3)]-beta-D-fucopyranoside}

26-O-beta-D-glucopyranosyl-22-O-methyl-5alpha-furost-25(27)-ene-1beta,3beta,22xi,26-tetrol 1-O-{O-alpha-L-rhamnopyranosyl-(1 -> 2)-O-[beta-D-xylopyranosyl-(1 -> 3)]-beta-D-fucopyranoside}

C51H84O22 (1048.5453964)


   

26-O-beta-D-glucopyranosyl-(25S,20S)-5alpha-furost-22(23)-en-3beta,20,26-triol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside|tuberoside I

26-O-beta-D-glucopyranosyl-(25S,20S)-5alpha-furost-22(23)-en-3beta,20,26-triol 3-O-alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside|tuberoside I

C51H84O22 (1048.5453964)


   

Bacillomycin Lc 4

3-[15,21-Bis(2-amino-2-oxoethyl)-3-(1-hydroxyethyl)-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,17,20,23-octaoxo-25-tridecyl-1,4,7,10,13,16,19,22-octazacyclopentacos-9-yl]propanoic acid

C48H76N10O16 (1048.5440496)


   

Caffeoyl hydroxy tomatidine-di-O-hexosyl-O-pentoside

Caffeoyl hydroxy tomatidine-di-O-hexosyl-O-pentoside

C54H80O20 (1048.5242680000001)


   

Polyphyllin G

(2S,3R,4R,5R,6S)-2-[(2S,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-4-yl]oxy-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

C51H84O22_beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]

NCGC00385246-01_C51H84O22_beta-D-Glucopyranoside, (3beta,22beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-

C51H84O22 (1048.5453964)


   

Furostane base -2H + O-Hex, O-Hex-dHex-dHex

Furostane base -2H + O-Hex, O-Hex-dHex-dHex

C51H84O22 (1048.5453964)


Annotation level-3

   

Trigofoenoside E1

2-[4-(16-{[4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-en-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furost-5-en-3beta,22,26-triol

3-O-(alpha-l-rhamnopyranosyl-(1-2)-(alpha-L-rhamnopyranosyl-(1-4))-beta-D-glucopyranosyl)-26-O-(beta-D-glucopyranosyl)-(25R)-furost-5-ene-3beta,22,26-triol

C51H84O22 (1048.5453964)


   

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(1S,2S,4S,6R,7S,9S,12S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


   
   
   

PIP(22:3(10Z,13Z,16Z)/20:3(6,8,11)-OH(5))

PIP(22:3(10Z,13Z,16Z)/20:3(6,8,11)-OH(5))

C52H90O17P2 (1048.5652949999999)


   

PIP(20:3(6,8,11)-OH(5)/22:3(10Z,13Z,16Z))

PIP(20:3(6,8,11)-OH(5)/22:3(10Z,13Z,16Z))

C52H90O17P2 (1048.5652949999999)


   

PIP(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

PIP(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

C51H86O18P2 (1048.5289116)


   

PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:1(11Z))

PIP(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/20:1(11Z))

C51H86O18P2 (1048.5289116)


   

PIP(20:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

PIP(20:1(11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))

C51H86O18P2 (1048.5289116)


   

PIP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:1(11Z))

PIP(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/20:1(11Z))

C51H86O18P2 (1048.5289116)


   

PIP(22:4(10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

PIP(22:4(10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

C51H86O18P2 (1048.5289116)


   

PIP(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(10Z,13Z,16Z,19Z))

PIP(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(10Z,13Z,16Z,19Z))

C51H86O18P2 (1048.5289116)


   

PIP(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

PIP(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6))

C51H86O18P2 (1048.5289116)


   

PIP(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(7Z,10Z,13Z,16Z))

PIP(20:3(8Z,11Z,14Z)-2OH(5,6)/22:4(7Z,10Z,13Z,16Z))

C51H86O18P2 (1048.5289116)


   
   

[3-[[3-[[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

[3-[[3-[[3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

C55H86O15P2 (1048.5441666)


   

[3-[[3-[[3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (3Z,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-3,6,9,12,15,18,21-heptaenoate

[3-[[3-[[3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (3Z,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-3,6,9,12,15,18,21-heptaenoate

C55H86O15P2 (1048.5441666)


   

[3-[[3-[[3-[(7E,9E,11E,13E,15Z,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoate

[3-[[3-[[3-[(7E,9E,11E,13E,15Z,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (9Z,12Z,15Z,18Z,21Z)-tetracosa-9,12,15,18,21-pentaenoate

C55H86O15P2 (1048.5441666)


   

Protodioscin

.BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,22.ALPHA.,25R)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4))-

C51H84O22 (1048.5453964)


Protodioscin is a spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc attached to position 3 of 26-(beta-D-glucopyranosyloxy)-3beta,22-dihydroxyfurost-5-ene via a glycosidic linkage. Found in several plant species including yams, asparagus and funugreek. It has a role as a metabolite. It is a steroid saponin, a trisaccharide derivative, a beta-D-glucoside, a pentacyclic triterpenoid and a cyclic hemiketal. It is functionally related to a diosgenin. It derives from a hydride of a spirostan. Protodioscin is a natural product found in Dracaena draco, Borassus flabellifer, and other organisms with data available. See also: Fenugreek seed (part of). A spirostanyl glycoside that consists of the trisaccharide alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc attached to position 3 of 26-(beta-D-glucopyranosyloxy)-3beta,22-dihydroxyfurost-5-ene via a glycosidic linkage. Found in several plant species including yams, asparagus and funugreek. Protodioscin, a major steroidal saponin in Trigonella foenum-graecum Linn., has been shown to exhibit multiple biological actions, such as anti-hyperlipidemia, anti-cancer, sexual effects and cardiovascular properties. Protodioscin, a major steroidal saponin in Trigonella foenum-graecum Linn., has been shown to exhibit multiple biological actions, such as anti-hyperlipidemia, anti-cancer, sexual effects and cardiovascular properties.

   
   
   

(2s,3s,4r,5r,6s)-2-[(2s)-4-[(1s,2s,4s,6r,7s,8r,9r,12s,13s,16r)-16-{[(2s,3s,4s,5s,6s)-5-{[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2s,3s,4r,5r,6s)-2-[(2s)-4-[(1s,2s,4s,6r,7s,8r,9r,12s,13s,16r)-16-{[(2s,3s,4s,5s,6s)-5-{[(2r,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

2-[(3,4-dihydroxy-6-{[7-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butylidene)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol

2-[(3,4-dihydroxy-6-{[7-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butylidene)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

2-({2-[9-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-({2-[9-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C52H88O21 (1048.5817798)


   

(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-{[(1r,2s,4s,6z,7s,8r,9s,12s,13s,16s,18s)-7-hydroxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butylidene]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

(2r,3r,4r,5r,6s)-2-{[(2r,3s,4s,5r,6r)-3,4-dihydroxy-6-{[(1r,2s,4s,6z,7s,8r,9s,12s,13s,16s,18s)-7-hydroxy-7,9,13-trimethyl-6-[(3s)-3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butylidene]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methoxy}-6-methyloxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-{[2-(11-hydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}oxane-3,4,5-triol

2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-{[2-(11-hydroxy-3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-6-methylhept-5-en-2-yl]oxy}oxane-3,4,5-triol

C52H88O21 (1048.5817798)


   

3-[(3s,6r,9s,12s,15r,18r,21s)-2,5,8,11,14,17,20,23-octahydroxy-15,21-bis(c-hydroxycarbonimidoylmethyl)-3-[(1r)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-1,4,7,10,13,16,19,22-octaazacyclopentacosa-1,4,7,10,13,16,19,22-octaen-9-yl]propanoic acid

3-[(3s,6r,9s,12s,15r,18r,21s)-2,5,8,11,14,17,20,23-octahydroxy-15,21-bis(c-hydroxycarbonimidoylmethyl)-3-[(1r)-1-hydroxyethyl]-6,12-bis(hydroxymethyl)-18-[(4-hydroxyphenyl)methyl]-25-(11-methyldodecyl)-1,4,7,10,13,16,19,22-octaazacyclopentacosa-1,4,7,10,13,16,19,22-octaen-9-yl]propanoic acid

C48H76N10O16 (1048.5440496)


   

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

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

C51H72N10O14 (1048.5229212)


   

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-16-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-16-{[(2r,3r,4s,5s,6r)-5-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

2-(4-{16-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(4-{16-[(5-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-16-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2r,3r,4s,5s,6r)-2-[(2r)-4-[(1s,2s,4s,6r,7s,8r,9s,12s,13r,16s)-16-{[(2r,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)


   

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

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

C52H76N10O13 (1048.5593046)


   

(2s)-6-amino-2-{[(2s,3s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s,3s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-(1h-imidazol-2-yl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1-hydroxy-3-methylpentylidene]amino}hexanoic acid

(2s)-6-amino-2-{[(2s,3s)-2-{[(2s)-2-{[(2s)-2-{[(2s)-2-{[(2s,3s)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxy-3-(1h-imidazol-2-yl)propylidene]amino}-1-hydroxy-3-methylpentylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1-hydroxy-3-methylpentylidene]amino}hexanoic acid

C50H72N12O13 (1048.5341542)


   

2-(4-{16-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

2-(4-{16-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl}-2-methylbutoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

C51H84O22 (1048.5453964)