Metabolite List

metabolites which its exact mass nearly 1048.5243 with tolerance error 0.01 da.

Avenacin B-2 (BioCAD00000006957)
Formula: C54H80O20 (Exact Mass: 1048.5243)

plant natural products
PIP(20:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (BioCAD00000206517)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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)) (BioCAD00000206518)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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)) (BioCAD00000206533)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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)) (BioCAD00000206534)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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) (BioCAD00000207104)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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)) (BioCAD00000207105)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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(22:4(10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)-2OH(5,6)) (BioCAD00000207322)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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)) (BioCAD00000207323)
Formula: C51H86O18P2 (Exact Mass: 1048.5289)

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.

Avenacin B2 (BioCAD00000230090)
Formula: C54H80O20 (Exact Mass: 1048.5243)

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.

pasireotide(2+) (BioCAD00000481374)
Formula: C58H68N10O9 (Exact Mass: 1048.517)

A cyclic peptide cation obtained by protonation of the two side-chain primary amino groups of pasireotide." []

[Ser7]MC-YR (BioCAD00000492049)
Formula: C51H72N10O14 (Exact Mass: 1048.5229)

microbial natural products
[D-Asp3,Ser7]MC-HtyR (BioCAD00000492328)
Formula: C51H72N10O14 (Exact Mass: 1048.5229)

cyclo[Ala-Phe-D-Pro-Pro-Arg-Phe-Phe-Trp] (BioCAD00000651601)
Formula: C57H68N12O8 (Exact Mass: 1048.5283)

[D-Asp_,Mser7]MC_RY (BioCAD00001934017)
Formula: C51H72N10O14 (Exact Mass: 1048.5229)

(BioCAD00001987336)
Formula: C54H80O20 (Exact Mass: 1048.5243)