Exact Mass: 858.464

Exact Mass Matches: 858.464

Found 31 metabolites which its exact mass value is equals to given mass value 858.464, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PGP(16:1(9Z)/18:1(12Z)-2OH(9,10))

[(2S)-3-({[(2R)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-3-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C40H76O15P2 (858.4659)


PGP(16:1(9Z)/18:1(12Z)-2OH(9,10)) 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(16:1(9Z)/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one 9Z-hexadecenoyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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(18:1(12Z)-2OH(9,10)/16:1(9Z))

[(2S)-3-({[(2R)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C40H76O15P2 (858.4659)


PGP(18:1(12Z)-2OH(9,10)/16:1(9Z)) 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(18:1(12Z)-2OH(9,10)/16:1(9Z)), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of 9Z-hexadecenoyl 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).

   

23-O-beta-xylopyranosyl-(5beta,25S)-spirostan-3beta,23alpha-diol-3-O-beta-xylopyranosyl(1->4)-beta-glucopyranoside|filiasparoside F

23-O-beta-xylopyranosyl-(5beta,25S)-spirostan-3beta,23alpha-diol-3-O-beta-xylopyranosyl(1->4)-beta-glucopyranoside|filiasparoside F

C43H70O17 (858.4613)


   

Psammosilenin B

Psammosilenin B

C45H62N8O9 (858.464)


A natural product found in Psammosilene tunicoides.

   

(25S)-5beta-spirostane-3beta,17alpha-diol 3-O-beta-D-xylopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside

(25S)-5beta-spirostane-3beta,17alpha-diol 3-O-beta-D-xylopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->4)]-beta-D-glucopyranoside

C43H70O17 (858.4613)


   

3-O-beta-gentiobiosylplatycodigenin methyl ester

3-O-beta-gentiobiosylplatycodigenin methyl ester

C43H70O17 (858.4613)


   

3-O-beta-laminaribiosylplatycodigenin methyl ester

3-O-beta-laminaribiosylplatycodigenin methyl ester

C43H70O17 (858.4613)


   
   

PGP(16:1(9Z)/18:1(12Z)-2OH(9,10))

PGP(16:1(9Z)/18:1(12Z)-2OH(9,10))

C40H76O15P2 (858.4659)


   

PGP(18:1(12Z)-2OH(9,10)/16:1(9Z))

PGP(18:1(12Z)-2OH(9,10)/16:1(9Z))

C40H76O15P2 (858.4659)


   

[6-[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[6-[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C47H70O12S (858.4588)


   

[3,4,5-trihydroxy-6-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

[3,4,5-trihydroxy-6-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]oxan-2-yl]methanesulfonic acid

C47H70O12S (858.4588)


   

[(2S,3S,6S)-6-[3-[(7E,9E,11E,13E,15E,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-[(7E,9E,11E,13E,15E,17E,19E)-docosa-7,9,11,13,15,17,19-heptaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C47H70O12S (858.4588)


   

[(2S,3S,6S)-6-[3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C47H70O12S (858.4588)


   

[(2S,3S,6S)-6-[3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C47H70O12S (858.4588)


   
   
   

methyl (4ar,5r,6as,6br,8ar,10r,11s,12ar,12br,14bs)-10-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

methyl (4ar,5r,6as,6br,8ar,10r,11s,12ar,12br,14bs)-10-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C43H70O17 (858.4613)


   

methyl 10-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

methyl 10-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C43H70O17 (858.4613)


   

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

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

C43H70O17 (858.4613)


   

(3s,6s,9s,12s,18s,21s,27s)-9,21-dibenzyl-3-[(2s)-butan-2-yl]-5,8,11,20,23,26-hexahydroxy-6-[(1r)-1-hydroxyethyl]-18-isopropyl-1,4,7,10,16,19,22,25-octaazatricyclo[25.3.0.0¹²,¹⁶]triaconta-4,7,10,19,22,25-hexaene-2,17-dione

(3s,6s,9s,12s,18s,21s,27s)-9,21-dibenzyl-3-[(2s)-butan-2-yl]-5,8,11,20,23,26-hexahydroxy-6-[(1r)-1-hydroxyethyl]-18-isopropyl-1,4,7,10,16,19,22,25-octaazatricyclo[25.3.0.0¹²,¹⁶]triaconta-4,7,10,19,22,25-hexaene-2,17-dione

C45H62N8O9 (858.464)


   

(2s,3r,4s,5r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2s,2's,3s,4's,5s,7's,8'r,9's,12's,13's,16's,18'r)-5,7',9',13'-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy]oxan-3-yl]oxy}oxane-3,4,5-triol

(2s,3r,4s,5r)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1'r,2s,2's,3s,4's,5s,7's,8'r,9's,12's,13's,16's,18'r)-5,7',9',13'-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy]oxan-3-yl]oxy}oxane-3,4,5-triol

C43H70O17 (858.4613)


   

(2s,3r,4s,5r)-2-{[(2r,3s,4s,6s)-6-{[(3r,4r,5r,6s)-6-{[(2r,3s,4s,6r)-6-{[(1s,3as,3br,7s,9ar,9bs,11ar)-3a-hydroxy-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}oxane-3,4,5-triol

(2s,3r,4s,5r)-2-{[(2r,3s,4s,6s)-6-{[(3r,4r,5r,6s)-6-{[(2r,3s,4s,6r)-6-{[(1s,3as,3br,7s,9ar,9bs,11ar)-3a-hydroxy-1-[(1s)-1-hydroxyethyl]-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl]oxy}-4-hydroxy-2-methyloxan-3-yl]oxy}oxane-3,4,5-triol

C43H70O17 (858.4613)


   

(2s,3r,4s,5r)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8's,9's,12's,13's,16's,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-8'-oloxy]-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}oxane-3,4,5-triol

(2s,3r,4s,5r)-2-{[(2r,3s,4s,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-[(1'r,2r,2's,4's,5s,7's,8's,9's,12's,13's,16's,18'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-8'-oloxy]-5-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl]oxy}oxane-3,4,5-triol

C43H70O17 (858.4613)


   

methyl 5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

methyl 5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C43H70O17 (858.4613)


   

methyl (4ar,5r,6as,6br,8ar,10r,11s,12ar,12br,14bs)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

methyl (4ar,5r,6as,6br,8ar,10r,11s,12ar,12br,14bs)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

C43H70O17 (858.4613)


   

2-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-8'-oloxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}oxane-3,4,5-triol

2-{[4-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-8'-oloxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl]oxy}oxane-3,4,5-triol

C43H70O17 (858.4613)


   

(3s,6s,9s,12s,18s,21s,27s)-9,21-dibenzyl-3-[(2s)-butan-2-yl]-5,8,11,20,23,26-hexahydroxy-6-[(1s)-1-hydroxyethyl]-18-isopropyl-1,4,7,10,16,19,22,25-octaazatricyclo[25.3.0.0¹²,¹⁶]triaconta-4,7,10,19,22,25-hexaene-2,17-dione

(3s,6s,9s,12s,18s,21s,27s)-9,21-dibenzyl-3-[(2s)-butan-2-yl]-5,8,11,20,23,26-hexahydroxy-6-[(1s)-1-hydroxyethyl]-18-isopropyl-1,4,7,10,16,19,22,25-octaazatricyclo[25.3.0.0¹²,¹⁶]triaconta-4,7,10,19,22,25-hexaene-2,17-dione

C45H62N8O9 (858.464)


   

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

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

C43H70O17 (858.4613)


   

9,21-dibenzyl-5,8,11,20,23,26-hexahydroxy-6-(1-hydroxyethyl)-18-isopropyl-3-(sec-butyl)-1,4,7,10,16,19,22,25-octaazatricyclo[25.3.0.0¹²,¹⁶]triaconta-4,7,10,19,22,25-hexaene-2,17-dione

9,21-dibenzyl-5,8,11,20,23,26-hexahydroxy-6-(1-hydroxyethyl)-18-isopropyl-3-(sec-butyl)-1,4,7,10,16,19,22,25-octaazatricyclo[25.3.0.0¹²,¹⁶]triaconta-4,7,10,19,22,25-hexaene-2,17-dione

C45H62N8O9 (858.464)