Exact Mass: 821.5322694

Exact Mass Matches: 821.5322694

Found 112 metabolites which its exact mass value is equals to given mass value 821.5322694, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

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

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

C42H80NO12P (821.541785)


PS(18:0/18:1(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(18:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one octadecanoyl 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)/18:0)

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

C42H80NO12P (821.541785)


PS(18:1(12Z)-2OH(9,10)/18:0) 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)/18:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl 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 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(18:0/18:1(12Z)-2OH(9,10))

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

C42H80NO12P (821.541785)


   

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

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

C42H80NO12P (821.541785)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-tetratetraconta-8,11,14,17,20,23,26,29,32,35,38,41-dodecaenoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (8Z,11Z,14Z,17Z,20Z,23Z,26Z,29Z,32Z,35Z,38Z,41Z)-tetratetraconta-8,11,14,17,20,23,26,29,32,35,38,41-dodecaenoate

C49H76NO7P (821.5359116)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

PI-Cer 24:1;2O/12:1;O

PI-Cer 24:1;2O/12:1;O

C42H80NO12P (821.541785)


   

PI-Cer 16:0;2O/20:2;O

PI-Cer 16:0;2O/20:2;O

C42H80NO12P (821.541785)


   

PI-Cer 15:1;2O/21:1;O

PI-Cer 15:1;2O/21:1;O

C42H80NO12P (821.541785)


   

PI-Cer 13:1;2O/23:1;O

PI-Cer 13:1;2O/23:1;O

C42H80NO12P (821.541785)


   

PI-Cer 22:1;2O/14:1;O

PI-Cer 22:1;2O/14:1;O

C42H80NO12P (821.541785)


   

PI-Cer 12:2;2O/24:0;O

PI-Cer 12:2;2O/24:0;O

C42H80NO12P (821.541785)


   

PI-Cer 24:2;2O/12:0;O

PI-Cer 24:2;2O/12:0;O

C42H80NO12P (821.541785)


   

PI-Cer 19:2;2O/17:0;O

PI-Cer 19:2;2O/17:0;O

C42H80NO12P (821.541785)


   

PI-Cer 23:1;2O/13:1;O

PI-Cer 23:1;2O/13:1;O

C42H80NO12P (821.541785)


   

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

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

C42H80NO12P (821.541785)


   

PI-Cer 22:2;2O/14:0;O

PI-Cer 22:2;2O/14:0;O

C42H80NO12P (821.541785)


   

PI-Cer 17:1;2O/19:1;O

PI-Cer 17:1;2O/19:1;O

C42H80NO12P (821.541785)


   

PI-Cer 13:2;2O/23:0;O

PI-Cer 13:2;2O/23:0;O

C42H80NO12P (821.541785)


   

PI-Cer 20:1;2O/16:1;O

PI-Cer 20:1;2O/16:1;O

C42H80NO12P (821.541785)


   

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

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

C42H80NO12P (821.541785)


   

PI-Cer 21:2;2O/15:0;O

PI-Cer 21:2;2O/15:0;O

C42H80NO12P (821.541785)


   

PI-Cer 16:1;2O/20:1;O

PI-Cer 16:1;2O/20:1;O

C42H80NO12P (821.541785)


   

PI-Cer 17:2;2O/19:0;O

PI-Cer 17:2;2O/19:0;O

C42H80NO12P (821.541785)


   

PI-Cer 20:0;2O/16:2;O

PI-Cer 20:0;2O/16:2;O

C42H80NO12P (821.541785)


   

PI-Cer 14:2;2O/22:0;O

PI-Cer 14:2;2O/22:0;O

C42H80NO12P (821.541785)


   

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

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

C42H80NO12P (821.541785)


   

PI-Cer 20:2;2O/16:0;O

PI-Cer 20:2;2O/16:0;O

C42H80NO12P (821.541785)


   

PI-Cer 21:1;2O/15:1;O

PI-Cer 21:1;2O/15:1;O

C42H80NO12P (821.541785)


   

PI-Cer 14:1;2O/22:1;O

PI-Cer 14:1;2O/22:1;O

C42H80NO12P (821.541785)


   

PI-Cer 23:2;2O/13:0;O

PI-Cer 23:2;2O/13:0;O

C42H80NO12P (821.541785)


   

PI-Cer 12:0;2O/24:2;O

PI-Cer 12:0;2O/24:2;O

C42H80NO12P (821.541785)


   

PI-Cer 14:0;2O/22:2;O

PI-Cer 14:0;2O/22:2;O

C42H80NO12P (821.541785)


   

PI-Cer 15:2;2O/21:0;O

PI-Cer 15:2;2O/21:0;O

C42H80NO12P (821.541785)


   

PI-Cer 12:1;2O/24:1;O

PI-Cer 12:1;2O/24:1;O

C42H80NO12P (821.541785)


   

PI-Cer 16:2;2O/20:0;O

PI-Cer 16:2;2O/20:0;O

C42H80NO12P (821.541785)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-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-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

C49H76NO7P (821.5359116)


   

[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] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-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] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C49H76NO7P (821.5359116)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-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-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C49H76NO7P (821.5359116)


   

2-amino-3-[[2-(11,12-dihydroxyoctadecanoyloxy)-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-(11,12-dihydroxyoctadecanoyloxy)-3-[(Z)-octadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C42H80NO12P (821.541785)


   

2-amino-3-[[2-[(Z)-12,13-dihydroxyoctadec-9-enoyl]oxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-[(Z)-12,13-dihydroxyoctadec-9-enoyl]oxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C42H80NO12P (821.541785)


   
   
   
   
   

PE P-44:11 or PE O-44:12

PE P-44:11 or PE O-44:12

C49H76NO7P (821.5359116)


   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

n-[(1e,3r,4r,5r,9s,10s,11s)-10-hydroxy-11-[(1s,3s,4r,5s,7r,8s,9r,12e,14e,17s,19r)-17-hydroxy-4-(hydroxymethyl)-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5r,9s,10s,11s)-10-hydroxy-11-[(1s,3s,4r,5s,7r,8s,9r,12e,14e,17s,19r)-17-hydroxy-4-(hydroxymethyl)-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

(14e,20e)-15-ethyl-1,16,22,24,26,28-hexahydroxy-12-[(2e)-5-hydroxy-4-methylhex-2-en-2-yl]-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

(14e,20e)-15-ethyl-1,16,22,24,26,28-hexahydroxy-12-[(2e)-5-hydroxy-4-methylhex-2-en-2-yl]-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

C45H75NO12 (821.528899)


   

n-[(1e,3r,4r,5s,9r,10s,11s)-6,10-dihydroxy-11-[(1s,3s,5s,7r,8s,12z,14z,17s,19r)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5s,9r,10s,11s)-6,10-dihydroxy-11-[(1s,3s,5s,7r,8s,12z,14z,17s,19r)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

n-[(1e,3r,4r,5r,9r,10s,11s)-10-hydroxy-11-[(1s,3s,4r,5s,7r,8r,12e,14e,17s,19r)-17-hydroxy-4-(hydroxymethyl)-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5r,9r,10s,11s)-10-hydroxy-11-[(1s,3s,4r,5s,7r,8r,12e,14e,17s,19r)-17-hydroxy-4-(hydroxymethyl)-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

(1s,9s,12r,14e,16r,17r,19s,20e,22s,24s,26r,27r,28r,30r,33r)-15-ethyl-1,16,22,24,26,28-hexahydroxy-12-[(2e,4s,5s)-5-hydroxy-4-methylhex-2-en-2-yl]-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

(1s,9s,12r,14e,16r,17r,19s,20e,22s,24s,26r,27r,28r,30r,33r)-15-ethyl-1,16,22,24,26,28-hexahydroxy-12-[(2e,4s,5s)-5-hydroxy-4-methylhex-2-en-2-yl]-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

C45H75NO12 (821.528899)


   

n-[(1e,3r,4r,5r,9s,10s,11s)-11-[(1s,3s,4s,5s,7r,8s,9r,12e,14e,17s,19s)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5r,9s,10s,11s)-11-[(1s,3s,4s,5s,7r,8s,9r,12e,14e,17s,19s)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

n-[(1e,3r,4r,5s,9s,10s,11s)-6,10-dihydroxy-11-[(1s,3s,4s,5s,7r,8s,9r,12z,14z,17s)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5s,9s,10s,11s)-6,10-dihydroxy-11-[(1s,3s,4s,5s,7r,8s,9r,12z,14z,17s)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

15-ethyl-1,16,22,24,26,28-hexahydroxy-12-(5-hydroxy-4-methylhex-2-en-2-yl)-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

15-ethyl-1,16,22,24,26,28-hexahydroxy-12-(5-hydroxy-4-methylhex-2-en-2-yl)-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

C45H75NO12 (821.528899)


   

n-[(1e,3r,4r,5r,9s,10s,11s)-11-[(1s,3s,4s,5s,7r,8s,9r,12e,14e,17s,19r)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5r,9s,10s,11s)-11-[(1s,3s,4s,5s,7r,8s,9r,12e,14e,17s,19r)-4,17-dihydroxy-3,5,7-trimethoxy-4,8,14-trimethyl-11-oxo-10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-trien-9-yl]-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

n-[(1e,3r,4r,5s,9s,10s,11s)-6,10-dihydroxy-11-[(1s,3s,4s,5s,7r,8s,9r,12e,14e,17s,19r)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-en-1-yl]-n-methylformamide

n-[(1e,3r,4r,5s,9s,10s,11s)-6,10-dihydroxy-11-[(1s,3s,4s,5s,7r,8s,9r,12e,14e,17s,19r)-17-hydroxy-3,5,7-trimethoxy-8,14-dimethyl-11-oxo-10,23-dioxaspiro[bicyclo[17.3.1]tricosane-4,2'-oxirane]-12,14,20-trien-9-yl]-4-methoxy-3,5,9-trimethyldodec-1-en-1-yl]-n-methylformamide

C45H75NO12 (821.528899)


   

(1r,12s,14e,16s,19s,20z,22s,24r,26s,27r,28s,30s,33r)-15-ethyl-1,16,22,24,26,28-hexahydroxy-12-[(2e,4r,5r)-5-hydroxy-4-methylhex-2-en-2-yl]-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

(1r,12s,14e,16s,19s,20z,22s,24r,26s,27r,28s,30s,33r)-15-ethyl-1,16,22,24,26,28-hexahydroxy-12-[(2e,4r,5r)-5-hydroxy-4-methylhex-2-en-2-yl]-17,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0⁴,⁹]tetratriaconta-14,20-diene-2,3,10-trione

C45H75NO12 (821.528899)