Exact Mass: 914.5391288

Exact Mass Matches: 914.5391288

Found 19 metabolites which its exact mass value is equals to given mass value 914.5391288, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PC(16:1(9Z)/LTE4)

(2-{[(2R)-2-{[(2R)-2-amino-3-{[(4S,5R,6E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulphanyl}propanoyl]oxy}-3-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium

C47H83N2O11PS (914.5454898)


PC(16:1(9Z)/LTE4) 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(16:1(9Z)/LTE4), in particular, consists of one chain of one 9Z-hexadecenoyl at the C-1 position and one chain of Leukotriene E4 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(LTE4/16:1(9Z))

(2-{[(2R)-3-{[(2R)-2-amino-3-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulphanyl}propanoyl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium

C47H83N2O11PS (914.5454898)


PC(LTE4/16:1(9Z)) 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(LTE4/16:1(9Z)), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 9Z-hexadecenoyl 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).

   

methyl (3S,4S,9R,9R,13S,13S,14S,14S,17R,17S,18S,18R,20R,20R,22S)-3,22-dihydroxy-2,6,21-trioxo-2,3:3,4-dioxy-29-nordi(friedela)-1(10),1,3,5,5(10),7,7-heptaen-29-oate|xuxuarine Halpha

methyl (3S,4S,9R,9R,13S,13S,14S,14S,17R,17S,18S,18R,20R,20R,22S)-3,22-dihydroxy-2,6,21-trioxo-2,3:3,4-dioxy-29-nordi(friedela)-1(10),1,3,5,5(10),7,7-heptaen-29-oate|xuxuarine Halpha

C58H74O9 (914.5332554)


   

Gly Leu Leu Ser Val Leu Gly Ser Val Ala

Gly Leu Leu Ser Val Leu Gly Ser Val Ala

C41H74N10O13 (914.5436554)


   

methyl (3R,4R,9R,9R,13S,13S,14S,14S,17S,17R,18R,18S,20R,20R,22S)-3,22-dihydroxy-2,6,21-trioxo-2,3:3,4-dioxy-29-nordi(friedela)-1(10),1,3,5,5(10),7,7-heptaen-29-oate|xuxuarine Ibeta

methyl (3R,4R,9R,9R,13S,13S,14S,14S,17S,17R,18R,18S,20R,20R,22S)-3,22-dihydroxy-2,6,21-trioxo-2,3:3,4-dioxy-29-nordi(friedela)-1(10),1,3,5,5(10),7,7-heptaen-29-oate|xuxuarine Ibeta

C58H74O9 (914.5332554)


   

isoxuxuarine Halpha|methyl (3S,4S,9R,9R,13S,13S,14S,14S,17R,17S,18S,18R,20R,20R,22S)-3,22-dihydroxy-2,6,21-trioxo-3,3:2,4-dioxy-29-nordi(friedela)-1(10),1,3,5,5(10),7,7-heptaen-29-oate

isoxuxuarine Halpha|methyl (3S,4S,9R,9R,13S,13S,14S,14S,17R,17S,18S,18R,20R,20R,22S)-3,22-dihydroxy-2,6,21-trioxo-3,3:2,4-dioxy-29-nordi(friedela)-1(10),1,3,5,5(10),7,7-heptaen-29-oate

C58H74O9 (914.5332554)


   

avermectin B1e|rel-(2aE,4E,5?S,6S,6?R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-7-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5?,6,8,19-tetramethyl-6?-[(2S)-5-methylhexan-2-yl]-5?,6,6?,7,10,11,14,15,17a,20,20a,20b-dodecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2?-pyran]-17-one

avermectin B1e|rel-(2aE,4E,5?S,6S,6?R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-7-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-5?,6,8,19-tetramethyl-6?-[(2S)-5-methylhexan-2-yl]-5?,6,6?,7,10,11,14,15,17a,20,20a,20b-dodecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2?-pyran]-17-one

C51H78O14 (914.5391288)


   
   
   
   

[1-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C51H79O12P (914.5308864)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoxy]propan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C51H79O12P (914.5308864)


   

[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

C51H79O12P (914.5308864)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C51H79O12P (914.5308864)


   

[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

C51H79O12P (914.5308864)


   

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

[1-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoate

C51H79O12P (914.5308864)


   
   

BM213

BM213

C43H70N12O10 (914.53376)


BM213, a potent and selective agonist for C5aR1, shows antitumor activity in a mouse model of mammary carcinoma.

   

2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1-hydroxyethylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxy-3-methylbutylidene]amino}propanoic acid

2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1-hydroxyethylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxy-3-methylbutylidene]amino}propanoic acid

C41H74N10O13 (914.5436554)