Exact Mass: 964.3939894

Exact Mass Matches: 964.3939894

Found 14 metabolites which its exact mass value is equals to given mass value 964.3939894, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

PIP(16:2(9Z,12Z)/PGJ2)

{[(1S,6R,12Z,15S,19R,20R,21R,22R,23S,24R)-6-{[(9Z,12Z)-hexadeca-9,12-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

C45H74O18P2 (964.4350164000001)


PIP(16:2(9Z,12Z)/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(16:2(9Z,12Z)/PGJ2), in particular, consists of one chain of 9Z,12Z-hexadecenoyl 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(PGJ2/16:2(9Z,12Z))

{[(1S,6R,13Z,16S,20R,21R,22R,23R,24S,25R)-6-[(9Z,12Z)-hexadeca-9,12-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

C45H74O18P2 (964.4350164000001)


PIP(PGJ2/16:2(9Z,12Z)) 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(PGJ2/16:2(9Z,12Z)), in particular, consists of one chain of Prostaglandin J2 at the C-1 position and one chain of 9Z,12Z-hexadecenoyl 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.

   

3,21-di-O-acetyl-epitrillenogenin 1-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranosyl)-(1-2)-alpha-L-arabinopyranoside

3,21-di-O-acetyl-epitrillenogenin 1-O-(2,3,4-tri-O-acetyl-alpha-L-rhamnopyranosyl)-(1-2)-alpha-L-arabinopyranoside

C47H64O21 (964.3939894)


   
   

ruscogenin 1-O-alpha-L-rhamnopyranosyl(1->2)-4-O-sulfo-beta-D-fucopyranosido-3-O-beta-D-glucopyranoside

ruscogenin 1-O-alpha-L-rhamnopyranosyl(1->2)-4-O-sulfo-beta-D-fucopyranosido-3-O-beta-D-glucopyranoside

C45H72O20S (964.4337432)


   
   
   
   

[(2r,3r,4r,5r,6r)-4-hydroxy-2-methyl-6-[(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,14'r,16'r)-5,7',9',13'-tetramethyl-16'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(2r,3r,4r,5r,6r)-4-hydroxy-2-methyl-6-[(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,14'r,16'r)-5,7',9',13'-tetramethyl-16'-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy]-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C45H72O20S (964.4337432)


   

14'-{[5-(acetyloxy)-4-hydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,16'-trihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

14'-{[5-(acetyloxy)-4-hydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,16'-trihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

C47H64O21 (964.3939894)


   

[4-hydroxy-2-methyl-6-(5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxidanesulfonic acid

[4-hydroxy-2-methyl-6-(5,7',9',13'-tetramethyl-16'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxidanesulfonic acid

C45H72O20S (964.4337432)


   

(1'r,2s,3s,4s,4'r,5s,7'r,8'r,12's,13'r,14'r,16'r)-16'-(acetyloxy)-14'-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

(1'r,2s,3s,4s,4'r,5s,7'r,8'r,12's,13'r,14'r,16'r)-16'-(acetyloxy)-14'-{[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

C47H64O21 (964.3939894)


   

16'-(acetyloxy)-14'-[(4,5-dihydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

16'-(acetyloxy)-14'-[(4,5-dihydroxy-3-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl)oxy]-3,4-dihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

C47H64O21 (964.3939894)


   

(1's,2s,3s,4s,4'r,5s,7'r,8'r,12'r,13'r,14'r,16'r)-14'-{[(2s,3r,4s,5s)-5-(acetyloxy)-4-hydroxy-3-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,16'-trihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

(1's,2s,3s,4s,4'r,5s,7'r,8'r,12'r,13'r,14'r,16'r)-14'-{[(2s,3r,4s,5s)-5-(acetyloxy)-4-hydroxy-3-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,16'-trihydroxy-5,13'-dimethyl-3'-oxo-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-7'-ylmethyl acetate

C47H64O21 (964.3939894)