Exact Mass: 781.4626

Exact Mass Matches: 781.4626

Found 23 metabolites which its exact mass value is equals to given mass value 781.4626, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PE(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI)

(2-aminoethoxy)[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid

C41H68NO11P (781.453)


PE(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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, phosphatidylethanolamines 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. PE(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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 PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))

(2-aminoethoxy)[(2R)-3-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid

C41H68NO11P (781.453)


PE(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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, phosphatidylethanolamines 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. PE(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 6Z,9Z,12Z,15Z-octadecatetraenoyl 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 PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   
   

PE(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI)

PE(18:4(6Z,9Z,12Z,15Z)/5-iso PGF2VI)

C41H68NO11P (781.453)


   

PE(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))

PE(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))

C41H68NO11P (781.453)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C45H68NO8P (781.4682)


   

(4Z,7Z,10Z,13Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]hexadeca-4,7,10,13-tetraenamide

(4Z,7Z,10Z,13Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytrideca-4,8-dien-2-yl]hexadeca-4,7,10,13-tetraenamide

C41H67NO13 (781.4612)


   

(3Z,6Z,9Z,12Z,15Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]octadeca-3,6,9,12,15-pentaenamide

(3Z,6Z,9Z,12Z,15Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyundec-4-en-2-yl]octadeca-3,6,9,12,15-pentaenamide

C41H67NO13 (781.4612)


   

(5Z,8Z,11Z,14Z,17Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxynon-4-en-2-yl]icosa-5,8,11,14,17-pentaenamide

C41H67NO13 (781.4612)


   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (6E,9E,12E,15E,18E,21E)-tetracosa-6,9,12,15,18,21-hexaenoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (6E,9E,12E,15E,18E,21E)-tetracosa-6,9,12,15,18,21-hexaenoate

C45H68NO8P (781.4682)


   

PC 22:4/11:3;O3

PC 22:4/11:3;O3

C41H68NO11P (781.453)


   
   
   
   

IPC 15:2;O2/20:5

IPC 15:2;O2/20:5

C41H68NO11P (781.453)


   
   

n-[(2s)-3-methyl-1-[(2s)-2-{methyl[(1s)-1-{[(1s)-3-methyl-1-{methyl[(1s)-2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl]carbamoyl}butyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxobutan-2-yl]butanimidic acid

n-[(2s)-3-methyl-1-[(2s)-2-{methyl[(1s)-1-{[(1s)-3-methyl-1-{methyl[(1s)-2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl]carbamoyl}butyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxobutan-2-yl]butanimidic acid

C41H63N7O6S (781.456)


   

(2e,4e,6e,8e,20e,30e,34e)-40-amino-11,15,17,19,23,25,27,29,33,37-decahydroxy-12-methyl-13-oxotetraconta-2,4,6,8,20,30,34-heptaenoic acid

(2e,4e,6e,8e,20e,30e,34e)-40-amino-11,15,17,19,23,25,27,29,33,37-decahydroxy-12-methyl-13-oxotetraconta-2,4,6,8,20,30,34-heptaenoic acid

C41H67NO13 (781.4612)


   

(2s)-2-{[(2s)-1-hydroxy-2-{n-methyl-1-[(2s)-1-[(2s)-3-methyl-2-(n-methylbutanamido)butanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropylidene]amino}-4-methyl-n-[(1s)-2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl]pentanimidic acid

(2s)-2-{[(2s)-1-hydroxy-2-{n-methyl-1-[(2s)-1-[(2s)-3-methyl-2-(n-methylbutanamido)butanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropylidene]amino}-4-methyl-n-[(1s)-2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl]pentanimidic acid

C41H63N7O6S (781.456)


   

n-[3-methyl-1-(2-{methyl[1-({3-methyl-1-[methyl({2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl})carbamoyl]butyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]carbamoyl}pyrrolidin-1-yl)-1-oxobutan-2-yl]butanimidic acid

n-[3-methyl-1-(2-{methyl[1-({3-methyl-1-[methyl({2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl})carbamoyl]butyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]carbamoyl}pyrrolidin-1-yl)-1-oxobutan-2-yl]butanimidic acid

C41H63N7O6S (781.456)


   

(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid

(2s)-1-[(2s)-2-[(2s)-2-{[(2r,3r)-1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido]-4-methylpentanoyl]-n-[(2s)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid

C42H63N5O9 (781.4626)


   

2-{[1-hydroxy-2-(n-methyl-1-{1-[3-methyl-2-(n-methylbutanamido)butanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropylidene]amino}-4-methyl-n-{2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl}pentanimidic acid

2-{[1-hydroxy-2-(n-methyl-1-{1-[3-methyl-2-(n-methylbutanamido)butanoyl]pyrrolidin-2-yl}formamido)-3-phenylpropylidene]amino}-4-methyl-n-{2-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)carbamoyl]propyl}pentanimidic acid

C41H63N7O6S (781.456)


   

1-[2-(2-{[1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido)-4-methylpentanoyl]-n-[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid

1-[2-(2-{[1,2-dihydroxy-3-(methylamino)decylidene]amino}-3-(4-hydroxyphenyl)-n-methylpropanamido)-4-methylpentanoyl]-n-[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]pyrrolidine-2-carboximidic acid

C42H63N5O9 (781.4626)