Exact Mass: 1136.4895312

Exact Mass Matches: 1136.4895312

Found 19 metabolites which its exact mass value is equals to given mass value 1136.4895312, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Arginine vasopressin, (beta-mercapto)beta,beta-cyclopentamethylenepropionic acid(1)-

N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-benzyl-22-[(4-hydroxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide

C51H72N14O12S2 (1136.4895312)


   

CDP-DG(16:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-(hexadecanoyloxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C51H86N4O18P2S (1136.5132796)


CDP-DG(16:0/LTE4) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols 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, CDP-diacylglycerols 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. CDP-DG(16:0/LTE4), in particular, consists of one chain of one hexadecanoyl 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 CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs 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 CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

   

CDP-DG(LTE4/16:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C51H86N4O18P2S (1136.5132796)


CDP-DG(LTE4/16:0) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols 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, CDP-diacylglycerols 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. CDP-DG(LTE4/16:0), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of hexadecanoyl 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 CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs 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 CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

   

CDP-DG(i-16:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-[(14-methylpentadecanoyl)oxy]propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C51H86N4O18P2S (1136.5132796)


CDP-DG(i-16:0/LTE4) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols 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, CDP-diacylglycerols 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. CDP-DG(i-16:0/LTE4), in particular, consists of one chain of one 14-methylpentadecanoyl 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 CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs 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 CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

   

CDP-DG(LTE4/i-16:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-[(14-methylpentadecanoyl)oxy]propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C51H86N4O18P2S (1136.5132796)


CDP-DG(LTE4/i-16:0) is an oxidized CDP-diacylglycerol (CDP-DG). Oxidized CDP-diacylglycerols are glycerophospholipids in which a cytidine diphosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized CDP-diacylglycerols 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, CDP-diacylglycerols 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. CDP-DG(LTE4/i-16:0), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 14-methylpentadecanoyl 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 CDP-DGs can be synthesized via three different routes. In one route, the oxidized CDP-DG is synthetized de novo following the same mechanisms as for CDP-DGs 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 CDP-DG backbone, mainly through the action of LOX (PMID: 33329396).

   

Oktakis(tetramethylammonium)-T8-silisesquioxane

Oktakis(tetramethylammonium)-T8-silisesquioxane

C32H96N8O20Si8 (1136.4894776)


   
   
   
   
   
   

(2s)-2-{3-[(2-{[(1s)-1-carboxy-2-methylpropyl](methyl)carbamoyl}-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]ethyl)sulfanyl]-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]-n-methyl-3-(methylsulfanyl)propanamido}-3-methylbutanoic acid

(2s)-2-{3-[(2-{[(1s)-1-carboxy-2-methylpropyl](methyl)carbamoyl}-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]ethyl)sulfanyl]-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]-n-methyl-3-(methylsulfanyl)propanamido}-3-methylbutanoic acid

C51H68N12O14S2 (1136.4419148000002)


   

(2s)-2-[(2r,3s)-3-{[(2s)-2-{[(1r)-1-carboxy-2-methylpropyl](methyl)carbamoyl}-2-[(2r)-2-{[(2s)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]ethyl]sulfanyl}-2-[(2r)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]-n-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid

(2s)-2-[(2r,3s)-3-{[(2s)-2-{[(1r)-1-carboxy-2-methylpropyl](methyl)carbamoyl}-2-[(2r)-2-{[(2s)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]ethyl]sulfanyl}-2-[(2r)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]-n-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid

C51H68N12O14S2 (1136.4419148000002)


   

[(3r,4r,5r,6s)-5-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-{[(2s,5s,6r,9s,12r,13r,16s,18r)-2,6,13,17,17-pentamethyl-6-(4-methylpentanoyl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-1(20)-en-16-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(3r,4r,5r,6s)-5-{[(2s,3r,4r,5s,6r)-5-{[(2s,3r,4s,5r)-4-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-{[(2s,5s,6r,9s,12r,13r,16s,18r)-2,6,13,17,17-pentamethyl-6-(4-methylpentanoyl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-1(20)-en-16-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C53H84O24S (1136.5072984)


   

(2s)-2-[(2r,3s)-3-{[(2r)-2-{[(1s)-1-carboxy-2-methylpropyl](methyl)carbamoyl}-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]ethyl]sulfanyl}-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]-n-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid

(2s)-2-[(2r,3s)-3-{[(2r)-2-{[(1s)-1-carboxy-2-methylpropyl](methyl)carbamoyl}-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]ethyl]sulfanyl}-2-[(2s)-2-{[(2r)-1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene]amino}-n-methylpropanamido]-n-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid

C51H68N12O14S2 (1136.4419148000002)


   

(2s)-n-[(1s)-1-{[(2s,6s,9s,15s,21s,24z)-21-[(2-bromo-5-hydroxy-1h-indol-3-yl)methyl]-2-ethyl-8,20,23-trihydroxy-6-(2-methylpropyl)-4,5,14-trioxo-28-oxa-3,7,13,19,22,29-hexaazatricyclo[24.2.1.0⁹,¹³]nonacosa-1(29),7,19,22,24,26-hexaen-15-yl]-c-hydroxycarbonimidoyl}butyl]-2-{[(2s,3s)-1,2-dihydroxy-3-methylpentylidene]amino}-3-methylpentanimidic acid

(2s)-n-[(1s)-1-{[(2s,6s,9s,15s,21s,24z)-21-[(2-bromo-5-hydroxy-1h-indol-3-yl)methyl]-2-ethyl-8,20,23-trihydroxy-6-(2-methylpropyl)-4,5,14-trioxo-28-oxa-3,7,13,19,22,29-hexaazatricyclo[24.2.1.0⁹,¹³]nonacosa-1(29),7,19,22,24,26-hexaen-15-yl]-c-hydroxycarbonimidoyl}butyl]-2-{[(2s,3s)-1,2-dihydroxy-3-methylpentylidene]amino}-3-methylpentanimidic acid

C54H77BrN10O12 (1136.4905502000001)


   

2-[3-({2-[(1-carboxy-2-methylpropyl)(methyl)carbamoyl]-2-{2-[(1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene)amino]-n-methylpropanamido}ethyl}sulfanyl)-2-{2-[(1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene)amino]-n-methylpropanamido}-n-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid

2-[3-({2-[(1-carboxy-2-methylpropyl)(methyl)carbamoyl]-2-{2-[(1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene)amino]-n-methylpropanamido}ethyl}sulfanyl)-2-{2-[(1,3-dihydroxy-2-{[hydroxy(quinoxalin-2-yl)methylidene]amino}propylidene)amino]-n-methylpropanamido}-n-methyl-3-(methylsulfanyl)propanamido]-3-methylbutanoic acid

C51H68N12O14S2 (1136.4419148000002)