Exact Mass: 861.6

Exact Mass Matches: 861.6

Found 52 metabolites which its exact mass value is equals to given mass value 861.6, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PC(18:0/PGF1alpha)

(2-{[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-(octadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium

C46H88NO11P (861.6095)


PC(18:0/PGF1alpha) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(18:0/PGF1alpha), in particular, consists of one chain of one octadecanoyl at the C-1 position and one chain of Prostaglandin F1alpha 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

PC(PGF1alpha/18:0)

(2-{[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-(octadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium

C46H88NO11P (861.6095)


PC(PGF1alpha/18:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(PGF1alpha/18:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of octadecanoyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).

   

PC(18:0/PGF1alpha)

PC(18:0/PGF1alpha)

C46H88NO11P (861.6095)


   

PC(PGF1alpha/18:0)

PC(PGF1alpha/18:0)

C46H88NO11P (861.6095)


   

SHexCer 18:1;2O/22:1

SHexCer 18:1;2O/22:1

C46H87NO11S (861.6)


   

SHexCer 40:2;2O

SHexCer 40:2;2O

C46H87NO11S (861.6)


   

OxPC 38:3e+4O(1Cyc)

OxPC 38:3e+4O(1Cyc)

C46H88NO11P (861.6095)


   

SHexCer 22:1;2O/18:1

SHexCer 22:1;2O/18:1

C46H87NO11S (861.6)


   

SHexCer 18:0;2O/22:2

SHexCer 18:0;2O/22:2

C46H87NO11S (861.6)


   

SHexCer 22:0;2O/18:2

SHexCer 22:0;2O/18:2

C46H87NO11S (861.6)


   

SHexCer 19:1;2O/21:1

SHexCer 19:1;2O/21:1

C46H87NO11S (861.6)


   

SHexCer 20:1;2O/20:1

SHexCer 20:1;2O/20:1

C46H87NO11S (861.6)


   

SHexCer 25:1;2O/15:1

SHexCer 25:1;2O/15:1

C46H87NO11S (861.6)


   

SHexCer 24:0;2O/16:2

SHexCer 24:0;2O/16:2

C46H87NO11S (861.6)


   

SHexCer 27:1;2O/13:1

SHexCer 27:1;2O/13:1

C46H87NO11S (861.6)


   

SHexCer 28:1;2O/12:1

SHexCer 28:1;2O/12:1

C46H87NO11S (861.6)


   

SHexCer 14:1;2O/26:1

SHexCer 14:1;2O/26:1

C46H87NO11S (861.6)


   

SHexCer 21:1;2O/19:1

SHexCer 21:1;2O/19:1

C46H87NO11S (861.6)


   

SHexCer 16:0;2O/24:2

SHexCer 16:0;2O/24:2

C46H87NO11S (861.6)


   

SHexCer 15:1;2O/25:1

SHexCer 15:1;2O/25:1

C46H87NO11S (861.6)


   

SHexCer 17:1;2O/23:1

SHexCer 17:1;2O/23:1

C46H87NO11S (861.6)


   

SHexCer 24:1;2O/16:1

SHexCer 24:1;2O/16:1

C46H87NO11S (861.6)


   

SHexCer 16:1;2O/24:1

SHexCer 16:1;2O/24:1

C46H87NO11S (861.6)


   

SHexCer 26:1;2O/14:1

SHexCer 26:1;2O/14:1

C46H87NO11S (861.6)


   

SHexCer 20:0;2O/20:2

SHexCer 20:0;2O/20:2

C46H87NO11S (861.6)


   

PC O-18:0/20:3;O4

PC O-18:0/20:3;O4

C46H88NO11P (861.6095)


   
   
   
   
   

SHexCer 40:2;O2

SHexCer 40:2;O2

C46H87NO11S (861.6)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

ST(40:2)

ST(d18:2_22:0)

C46H87NO11S (861.6)


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