Exact Mass: 822.4586976

Exact Mass Matches: 822.4586976

Found 43 metabolites which its exact mass value is equals to given mass value 822.4586976, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PG(18:3(6Z,9Z,12Z)/PGJ2)

[(2S)-2,3-dihydroxypropoxy][(2R)-2-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid

C44H71O12P (822.4682895999999)


PG(18:3(6Z,9Z,12Z)/PGJ2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(18:3(6Z,9Z,12Z)/PGJ2), in particular, consists of one chain of one 6Z,9Z,12Z-octadecatrienoyl at the C-1 position and one chain of Prostaglandin J2 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(PGJ2/18:3(6Z,9Z,12Z))

[(2S)-2,3-dihydroxypropoxy][(2R)-3-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid

C44H71O12P (822.4682895999999)


PG(PGJ2/18:3(6Z,9Z,12Z)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(PGJ2/18:3(6Z,9Z,12Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 6Z,9Z,12Z-octadecatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(18:3(9Z,12Z,15Z)/PGJ2)

[(2S)-2,3-dihydroxypropoxy][(2R)-2-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid

C44H71O12P (822.4682895999999)


PG(18:3(9Z,12Z,15Z)/PGJ2) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(18:3(9Z,12Z,15Z)/PGJ2), in particular, consists of one chain of one 9Z,12Z,15Z-octadecatrienoyl at the C-1 position and one chain of Prostaglandin J2 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(PGJ2/18:3(9Z,12Z,15Z))

[(2S)-2,3-dihydroxypropoxy][(2R)-3-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid

C44H71O12P (822.4682895999999)


PG(PGJ2/18:3(9Z,12Z,15Z)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(PGJ2/18:3(9Z,12Z,15Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 9Z,12Z,15Z-octadecatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   
   

cyclo(-Ala1-Pro2-Tyr3-Leu4-Leu5-Pro6-Pro7-Ala8-)|gypsin C

cyclo(-Ala1-Pro2-Tyr3-Leu4-Leu5-Pro6-Pro7-Ala8-)|gypsin C

C42H62N8O9 (822.4639522)


   
   

Tetrakis(dipivaloylmethanato)zirconium

Tetrakis(dipivaloylmethanato)zirconium

C44H76O8Zr (822.4586976)


   

(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine,(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine,(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

C48H62N4O8 (822.4567412)


   

Acetyl-Amyloid β-Protein (15-20) amide trifluoroacetate salt

Acetyl-Amyloid β-Protein (15-20) amide trifluoroacetate salt

C42H62N8O9 (822.4639522)


   
   
   
   
   

[6-[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[6-[3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C44H70O12S (822.4587740000001)


   

[6-[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-tridec-9-enoyl]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-[(Z)-tridec-9-enoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C44H70O12S (822.4587740000001)


   

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

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

C44H70O12S (822.4587740000001)


   

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

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

C44H70O12S (822.4587740000001)


   

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

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

C44H70O12S (822.4587740000001)


   

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

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

C44H70O12S (822.4587740000001)


   
   
   
   
   
   
   
   
   

(6r,7e)-6-methyl-8-[(1s,4e,6z,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

(6r,7e)-6-methyl-8-[(1s,4e,6z,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

C47H66O12 (822.4554036000001)


   

(6r,7e)-6-methyl-8-[(1s,4e,6e,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

(6r,7e)-6-methyl-8-[(1s,4e,6e,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

C47H66O12 (822.4554036000001)


   

6-methyl-8-[(4e)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

6-methyl-8-[(4e)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

C47H66O12 (822.4554036000001)


   

8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(2-methylpropyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(2-methylpropyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

C42H62N8O9 (822.4639522)


   

(2s)-6-amino-2-({[(3s,6s,9s,12r,15r)-3-benzyl-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)hexanoic acid

(2s)-6-amino-2-({[(3s,6s,9s,12r,15r)-3-benzyl-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)hexanoic acid

C42H62N8O9 (822.4639522)


   

8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(sec-butyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(sec-butyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

C42H62N8O9 (822.4639522)


   

(1s,7s,10s,13s,19s,22s,25s,28s)-8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(2-methylpropyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

(1s,7s,10s,13s,19s,22s,25s,28s)-8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-25,28-bis(2-methylpropyl)-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

C42H62N8O9 (822.4639522)


   

6-methyl-8-{13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl}non-7-enoic acid

6-methyl-8-{13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl}non-7-enoic acid

C47H66O12 (822.4554036000001)


   

(1s,7s,10s,13s,19s,22s,25s,28s)-25,28-bis[(2s)-butan-2-yl]-8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

(1s,7s,10s,13s,19s,22s,25s,28s)-25,28-bis[(2s)-butan-2-yl]-8,11,20,23,26-pentahydroxy-22-[(4-hydroxyphenyl)methyl]-10,13-dimethyl-3,9,12,15,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹⁵,¹⁹]tritriaconta-8,11,20,23,26-pentaene-2,14,29-trione

C42H62N8O9 (822.4639522)


   

(6r,7e)-6-methyl-8-[(1s,4z,6z,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

(6r,7e)-6-methyl-8-[(1s,4z,6z,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

C47H66O12 (822.4554036000001)


   

(6r,7e)-6-methyl-8-[(1s,4z,6e,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

(6r,7e)-6-methyl-8-[(1s,4z,6e,8e,11r,13r,14r,15s,16e,19r,20r,21s,23r,24s,25s,26e,30e,33s,35s)-13,21,24,25-tetrahydroxy-14,20-dimethyl-3,10-dioxo-2,34,38,39-tetraoxatetracyclo[31.2.2.1¹¹,¹⁵.1¹⁹,²³]nonatriaconta-4,6,8,16,26,30,36-heptaen-35-yl]non-7-enoic acid

C47H66O12 (822.4554036000001)