Exact Mass: 849.5755

Exact Mass Matches: 849.5755

Found 89 metabolites which its exact mass value is equals to given mass value 849.5755, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PS(20:0/18:1(12Z)-2OH(9,10))

(2S)-2-amino-3-({[(2R)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-3-(icosanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C44H84NO12P (849.5731)


PS(20:0/18:1(12Z)-2OH(9,10)) is an oxidized phosphatidylserine (PS). Oxidized phosphatidylserines are glycerophospholipids in which a phosphorylserine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylserines 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, phosphatidylserines 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. PS(20:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one eicosanoyl 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 PSs can be synthesized via three different routes. In one route, the oxidized PS is synthetized de novo following the same mechanisms as for PSs 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 PS backbone, mainly through the action of LOX (PMID: 33329396).

   

PS(18:1(12Z)-2OH(9,10)/20:0)

(2S)-2-amino-3-({[(2R)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-2-(icosanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C44H84NO12P (849.5731)


PS(18:1(12Z)-2OH(9,10)/20:0) is an oxidized phosphatidylserine (PS). Oxidized phosphatidylserines are glycerophospholipids in which a phosphorylserine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylserines 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, phosphatidylserines 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. PS(18:1(12Z)-2OH(9,10)/20:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of eicosanoyl 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 PSs can be synthesized via three different routes. In one route, the oxidized PS is synthetized de novo following the same mechanisms as for PSs 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 PS backbone, mainly through the action of LOX (PMID: 33329396).

   

PS(20:0/18:1(12Z)-2OH(9,10))

PS(20:0/18:1(12Z)-2OH(9,10))

C44H84NO12P (849.5731)


   

PS(18:1(12Z)-2OH(9,10)/20:0)

PS(18:1(12Z)-2OH(9,10)/20:0)

C44H84NO12P (849.5731)


   
   

PI-Cer 15:1;2O/23:1;O

PI-Cer 15:1;2O/23:1;O

C44H84NO12P (849.5731)


   

PI-Cer 12:0;2O/26:2;O

PI-Cer 12:0;2O/26:2;O

C44H84NO12P (849.5731)


   

PI-Cer 26:1;2O/12:1;O

PI-Cer 26:1;2O/12:1;O

C44H84NO12P (849.5731)


   

PI-Cer 22:0;2O/16:2;O

PI-Cer 22:0;2O/16:2;O

C44H84NO12P (849.5731)


   

PI-Cer 18:1;2O/20:1;O

PI-Cer 18:1;2O/20:1;O

C44H84NO12P (849.5731)


   

PI-Cer 18:2;2O/20:0;O

PI-Cer 18:2;2O/20:0;O

C44H84NO12P (849.5731)


   

PI-Cer 14:2;2O/24:0;O

PI-Cer 14:2;2O/24:0;O

C44H84NO12P (849.5731)


   

PI-Cer 20:2;2O/18:0;O

PI-Cer 20:2;2O/18:0;O

C44H84NO12P (849.5731)


   

PI-Cer 16:2;2O/22:0;O

PI-Cer 16:2;2O/22:0;O

C44H84NO12P (849.5731)


   

PI-Cer 13:2;2O/25:0;O

PI-Cer 13:2;2O/25:0;O

C44H84NO12P (849.5731)


   

PI-Cer 12:2;2O/26:0;O

PI-Cer 12:2;2O/26:0;O

C44H84NO12P (849.5731)


   

PI-Cer 15:2;2O/23:0;O

PI-Cer 15:2;2O/23:0;O

C44H84NO12P (849.5731)


   

PI-Cer 17:1;2O/21:1;O

PI-Cer 17:1;2O/21:1;O

C44H84NO12P (849.5731)


   

PI-Cer 24:2;2O/14:0;O

PI-Cer 24:2;2O/14:0;O

C44H84NO12P (849.5731)


   

PI-Cer 19:2;2O/19:0;O

PI-Cer 19:2;2O/19:0;O

C44H84NO12P (849.5731)


   

PI-Cer 20:1;2O/18:1;O

PI-Cer 20:1;2O/18:1;O

C44H84NO12P (849.5731)


   

PI-Cer 16:1;2O/22:1;O

PI-Cer 16:1;2O/22:1;O

C44H84NO12P (849.5731)


   

PI-Cer 12:1;2O/26:1;O

PI-Cer 12:1;2O/26:1;O

C44H84NO12P (849.5731)


   

PI-Cer 23:2;2O/15:0;O

PI-Cer 23:2;2O/15:0;O

C44H84NO12P (849.5731)


   

PI-Cer 23:1;2O/15:1;O

PI-Cer 23:1;2O/15:1;O

C44H84NO12P (849.5731)


   

PI-Cer 19:1;2O/19:1;O

PI-Cer 19:1;2O/19:1;O

C44H84NO12P (849.5731)


   

PI-Cer 16:0;2O/22:2;O

PI-Cer 16:0;2O/22:2;O

C44H84NO12P (849.5731)


   

PI-Cer 22:1;2O/16:1;O

PI-Cer 22:1;2O/16:1;O

C44H84NO12P (849.5731)


   

PI-Cer 21:2;2O/17:0;O

PI-Cer 21:2;2O/17:0;O

C44H84NO12P (849.5731)


   

PI-Cer 13:1;2O/25:1;O

PI-Cer 13:1;2O/25:1;O

C44H84NO12P (849.5731)


   

PI-Cer 24:1;2O/14:1;O

PI-Cer 24:1;2O/14:1;O

C44H84NO12P (849.5731)


   

PI-Cer 25:2;2O/13:0;O

PI-Cer 25:2;2O/13:0;O

C44H84NO12P (849.5731)


   

PI-Cer 25:1;2O/13:1;O

PI-Cer 25:1;2O/13:1;O

C44H84NO12P (849.5731)


   

PI-Cer 17:2;2O/21:0;O

PI-Cer 17:2;2O/21:0;O

C44H84NO12P (849.5731)


   

PI-Cer 14:0;2O/24:2;O

PI-Cer 14:0;2O/24:2;O

C44H84NO12P (849.5731)


   

PI-Cer 14:1;2O/24:1;O

PI-Cer 14:1;2O/24:1;O

C44H84NO12P (849.5731)


   

PI-Cer 20:0;2O/18:2;O

PI-Cer 20:0;2O/18:2;O

C44H84NO12P (849.5731)


   

PI-Cer 26:2;2O/12:0;O

PI-Cer 26:2;2O/12:0;O

C44H84NO12P (849.5731)


   

PI-Cer 18:0;2O/20:2;O

PI-Cer 18:0;2O/20:2;O

C44H84NO12P (849.5731)


   

PI-Cer 22:2;2O/16:0;O

PI-Cer 22:2;2O/16:0;O

C44H84NO12P (849.5731)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoate

C51H80NO7P (849.5672)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C51H80NO7P (849.5672)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

C51H80NO7P (849.5672)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]propan-2-yl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]propan-2-yl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

C51H80NO7P (849.5672)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C51H80NO7P (849.5672)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C51H80NO7P (849.5672)


   
   

DGTS 41:10;O2

DGTS 41:10;O2

C51H79NO9 (849.5755)


   
   
   
   
   

Hex2Cer 14:0;O2/18:1;O

Hex2Cer 14:0;O2/18:1;O

C44H83NO14 (849.5813)


   

Hex2Cer 14:1;O2/18:0;O

Hex2Cer 14:1;O2/18:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 15:1;O2/17:0;O

Hex2Cer 15:1;O2/17:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 16:1;O2/16:0;O

Hex2Cer 16:1;O2/16:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 17:1;O2/15:0;O

Hex2Cer 17:1;O2/15:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 18:1;O2/14:0;O

Hex2Cer 18:1;O2/14:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 19:1;O2/13:0;O

Hex2Cer 19:1;O2/13:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 20:1;O2/12:0;O

Hex2Cer 20:1;O2/12:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 21:1;O2/11:0;O

Hex2Cer 21:1;O2/11:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 22:1;O2/10:0;O

Hex2Cer 22:1;O2/10:0;O

C44H83NO14 (849.5813)


   

Hex2Cer 32:1;O2;O

Hex2Cer 32:1;O2;O

C44H83NO14 (849.5813)


   

Hex2Cer 32:1;O3

Hex2Cer 32:1;O3

C44H83NO14 (849.5813)


   

LacCer 14:0;O2/18:1;O

LacCer 14:0;O2/18:1;O

C44H83NO14 (849.5813)


   

LacCer 14:1;O2/18:0;O

LacCer 14:1;O2/18:0;O

C44H83NO14 (849.5813)


   

LacCer 15:1;O2/17:0;O

LacCer 15:1;O2/17:0;O

C44H83NO14 (849.5813)


   

LacCer 16:1;O2/16:0;O

LacCer 16:1;O2/16:0;O

C44H83NO14 (849.5813)


   

LacCer 17:1;O2/15:0;O

LacCer 17:1;O2/15:0;O

C44H83NO14 (849.5813)


   

LacCer 18:1;O2/14:0;O

LacCer 18:1;O2/14:0;O

C44H83NO14 (849.5813)


   

LacCer 19:1;O2/13:0;O

LacCer 19:1;O2/13:0;O

C44H83NO14 (849.5813)


   

LacCer 20:1;O2/12:0;O

LacCer 20:1;O2/12:0;O

C44H83NO14 (849.5813)


   

LacCer 21:1;O2/11:0;O

LacCer 21:1;O2/11:0;O

C44H83NO14 (849.5813)


   

LacCer 22:1;O2/10:0;O

LacCer 22:1;O2/10:0;O

C44H83NO14 (849.5813)


   

LacCer 32:1;O2;O

LacCer 32:1;O2;O

C44H83NO14 (849.5813)


   

IPC 14:1;O2/24:1;O

IPC 14:1;O2/24:1;O

C44H84NO12P (849.5731)


   

IPC 14:2;O2/24:0;O

IPC 14:2;O2/24:0;O

C44H84NO12P (849.5731)


   

IPC 15:2;O2/23:0;O

IPC 15:2;O2/23:0;O

C44H84NO12P (849.5731)


   

IPC 16:1;O2/22:1;O

IPC 16:1;O2/22:1;O

C44H84NO12P (849.5731)


   

IPC 16:2;O2/22:0;O

IPC 16:2;O2/22:0;O

C44H84NO12P (849.5731)


   

IPC 17:2;O2/21:0;O

IPC 17:2;O2/21:0;O

C44H84NO12P (849.5731)


   

IPC 18:1;O2/20:1;O

IPC 18:1;O2/20:1;O

C44H84NO12P (849.5731)


   

IPC 18:2;O2/20:0;O

IPC 18:2;O2/20:0;O

C44H84NO12P (849.5731)


   

IPC 19:2;O2/19:0;O

IPC 19:2;O2/19:0;O

C44H84NO12P (849.5731)


   

IPC 20:1;O2/18:1;O

IPC 20:1;O2/18:1;O

C44H84NO12P (849.5731)


   

IPC 20:2;O2/18:0;O

IPC 20:2;O2/18:0;O

C44H84NO12P (849.5731)


   

IPC 21:2;O2/17:0;O

IPC 21:2;O2/17:0;O

C44H84NO12P (849.5731)


   

IPC 22:2;O2/16:0;O

IPC 22:2;O2/16:0;O

C44H84NO12P (849.5731)