Exact Mass: 1007.4594554

Exact Mass Matches: 1007.4594554

Found 53 metabolites which its exact mass value is equals to given mass value 1007.4594554, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pglu-Leu-Thr-Phe-Thr-Ser-Ser-Trp-GlyNH2

2-{[hydroxy(5-hydroxy-3,4-dihydro-2H-pyrrol-2-yl)methylidene]amino}-N-[2-hydroxy-1-({1-[(2-hydroxy-1-{[2-hydroxy-1-({2-hydroxy-1-[(1-{[(C-hydroxycarbonimidoyl)methyl]-C-hydroxycarbonimidoyl}-2-(1H-indol-3-yl)ethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}propyl)-C-hydroxycarbonimidoyl]-2-phenylethyl}-C-hydroxycarbonimidoyl)propyl]-4-methylpentanimidate

C47H65N11O14 (1007.471223)


   

PGP(18:3(6Z,9Z,12Z)/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphoryl}oxy)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl]oxy}-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H79NO16P2S (1007.4594554)


PGP(18:3(6Z,9Z,12Z)/LTE4) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(18:3(6Z,9Z,12Z)/LTE4), in particular, consists of one chain of one 6Z,9Z,12Z-octadecatrienoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(LTE4/18:3(6Z,9Z,12Z))

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphoryl}oxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]-3-oxopropyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H79NO16P2S (1007.4594554)


PGP(LTE4/18:3(6Z,9Z,12Z)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(LTE4/18:3(6Z,9Z,12Z)), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 6Z,9Z,12Z-octadecatrienoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(18:3(9Z,12Z,15Z)/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphoryl}oxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H79NO16P2S (1007.4594554)


PGP(18:3(9Z,12Z,15Z)/LTE4) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(18:3(9Z,12Z,15Z)/LTE4), in particular, consists of one chain of one 9Z,12Z,15Z-octadecatrienoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(LTE4/18:3(9Z,12Z,15Z))

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphoryl}oxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H79NO16P2S (1007.4594554)


PGP(LTE4/18:3(9Z,12Z,15Z)) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates are glycerophospholipids in which a phosphoglycerol moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(LTE4/18:3(9Z,12Z,15Z)), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 9Z,12Z,15Z-octadecatrienoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

CDP-DG(a-13:0/PGE2)

[(1R,9R,15Z,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 10-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(a-13:0/PGE2) 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(a-13:0/PGE2), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/a-13:0)

(1R,9R,16Z,19R,22R,23S,24S,25S,27R)-27-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,22,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,12,20-tetraoxo-3,5,7,11,26-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[17.6.2]heptacos-16-en-9-yl 10-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(PGE2/a-13:0) 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(PGE2/a-13:0), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of 10-methyldodecanoyl 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(a-13:0/PGD2)

[(1R,9R,15Z,18S,19S,22R,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,19,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,21-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 10-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(a-13:0/PGD2) 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(a-13:0/PGD2), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/a-13:0)

(1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,12,22-tetraoxo-3,5,7,11,26-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[17.6.2]heptacos-16-en-9-yl 10-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(PGD2/a-13:0) 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(PGD2/a-13:0), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of 10-methyldodecanoyl 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(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-{[(5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)phosphinic acid

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of Lipoxin A4 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0)

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(10-methyldodecanoyl)oxy]-3-{[(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)phosphinic acid

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0) 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of 10-methyldodecanoyl 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-13:0/PGE2)

[(1R,9R,15Z,18R,21R,22S,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,21,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,19-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 11-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(i-13:0/PGE2) 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-13:0/PGE2), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Prostaglandin E2 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(PGE2/i-13:0)

(1R,9R,16Z,19R,22R,23S,24S,25S,27R)-27-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,22,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,12,20-tetraoxo-3,5,7,11,26-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[17.6.2]heptacos-16-en-9-yl 11-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(PGE2/i-13:0) 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(PGE2/i-13:0), in particular, consists of one chain of one Prostaglandin E2 at the C-1 position and one chain of 11-methyldodecanoyl 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-13:0/PGD2)

[(1R,9R,15Z,18S,19S,22R,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,19,23,24-pentahydroxy-22-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,11,21-tetraoxo-3,5,7,10,25-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[16.6.2]hexacos-15-en-9-yl]methyl 11-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(i-13:0/PGD2) 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-13:0/PGD2), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Prostaglandin D2 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(PGD2/i-13:0)

(1R,9R,16Z,19S,20S,23R,24S,25S,27R)-27-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,20,24,25-pentahydroxy-23-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4,6,12,22-tetraoxo-3,5,7,11,26-pentaoxa-4lambda5,6lambda5-diphosphabicyclo[17.6.2]heptacos-16-en-9-yl 11-methyldodecanoate

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(PGD2/i-13:0) 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(PGD2/i-13:0), in particular, consists of one chain of one Prostaglandin D2 at the C-1 position and one chain of 11-methyldodecanoyl 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-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-{[(5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)phosphinic acid

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)) 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-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of Lipoxin A4 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0)

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-{[(5R,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoyl]oxy}propoxy]phosphoryl}oxy)phosphinic acid

C45H75N3O18P2 (1007.4520630000001)


CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0) 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(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0), in particular, consists of one chain of one Lipoxin A4 at the C-1 position and one chain of 11-methyldodecanoyl 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-14:0/20:3(8Z,11Z,14Z)-2OH(5,6))

{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}({[(2R)-2-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-3-[(12-methyltridecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinate

C46H79N3O17P2 (1007.4884464)


CDP-DG(i-14:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 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-14:0/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of one 12-methyltridecanoyl at the C-1 position and one chain of 5,6-dihydroxyeicosatrienoyl 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(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0)

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-2-[(12-methyltridecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

C46H79N3O17P2 (1007.4884464)


CDP-DG(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0) 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(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0), in particular, consists of one chain of one 5,6-dihydroxyeicosatrienoyl at the C-1 position and one chain of 12-methyltridecanoyl 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).

   

cyclo(L-Pro-L-Phe-L-Asp-L-Ser-L-Arg-L-Ala-L-Val-L-Thr-L-Tyr)|phakellistatin 16

cyclo(L-Pro-L-Phe-L-Asp-L-Ser-L-Arg-L-Ala-L-Val-L-Thr-L-Tyr)|phakellistatin 16

C48H69N11O13 (1007.5076064)


   
   

5,5-Dinitro-3,3-diiodo-3,4,5,6-trtrabromophenol-sulfonephthalein

5,5-Dinitro-3,3-diiodo-3,4,5,6-trtrabromophenol-sulfonephthalein

C19H6Br4I2N2O9S (1007.4617006000001)


   

Adipokinetic Hormone (Apis mellifera ligustica, Bombyx mori, Heliothis zea, Manduca sexta)

Adipokinetic Hormone (Apis mellifera ligustica, Bombyx mori, Heliothis zea, Manduca sexta) Pyr-Leu-Thr-Phe-Thr-Ser-Ser-Trp-Gly-NH2

C47H65N11O14 (1007.471223)


   
   
   
   
   

CDP-DG(i-14:0/20:3(8Z,11Z,14Z)-2OH(5,6))

CDP-DG(i-14:0/20:3(8Z,11Z,14Z)-2OH(5,6))

C46H79N3O17P2 (1007.4884464)


   

CDP-DG(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0)

CDP-DG(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0)

C46H79N3O17P2 (1007.4884464)


   

CDP-DG(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

CDP-DG(a-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C45H75N3O18P2 (1007.4520630000001)


   

CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0)

CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/a-13:0)

C45H75N3O18P2 (1007.4520630000001)


   

CDP-DG(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

CDP-DG(i-13:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))

C45H75N3O18P2 (1007.4520630000001)


   

CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0)

CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-13:0)

C45H75N3O18P2 (1007.4520630000001)


   

[Asp5]-Oxytocin

[Asp5]-Oxytocin

C43H65N11O13S2 (1007.4204520000001)


[Asp5]-Oxytocin is the first 5-position neurohypophyseal hormone analogue possessing significant biological activity. [Asp5]-Oxytocin causes uterine contractions in vitro, enhanced by Mg2+. [Asp5]-Oxytocin has the ability of rat uteroconstrictor, avian vasodilator, and rat antidiuretic[1].

   

[Glu4]-Oxytocin

[Glu4]-Oxytocin

C43H65N11O13S2 (1007.4204520000001)


[Glu4]-Oxytocin is an appropriate derivative of oxytocin for conducting a comprehensive investigation by a variety of methods of the conformation of “oxytocin-like” molecules in aqueous solution[1].

   

2-{1-[3-(3-bromo-4-hydroxyphenyl)-2-{2-[(1-hydroxy-2,2-dimethylpropylidene)amino]-n-methylpropanamido}propanoyl]-4-methylpyrrolidin-2-yl}-n-(3-methyl-1-{methyl[1-oxo-3-phenyl-1-(2-propanoylpyrrolidin-1-yl)propan-2-yl]carbamoyl}butyl)-4,5-dihydro-1,3-thiazole-4-carboximidic acid

2-{1-[3-(3-bromo-4-hydroxyphenyl)-2-{2-[(1-hydroxy-2,2-dimethylpropylidene)amino]-n-methylpropanamido}propanoyl]-4-methylpyrrolidin-2-yl}-n-(3-methyl-1-{methyl[1-oxo-3-phenyl-1-(2-propanoylpyrrolidin-1-yl)propan-2-yl]carbamoyl}butyl)-4,5-dihydro-1,3-thiazole-4-carboximidic acid

C50H70BrN7O8S (1007.4189680000001)


   

2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-n-(2-hydroxy-1-{[1-({2-hydroxy-1-[(2-hydroxy-1-{[2-hydroxy-1-({1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]-2-(1h-indol-3-yl)ethyl}-c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}ethyl)-c-hydroxycarbonimidoyl]propyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}propyl)-4-methylpentanimidic acid

2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-n-(2-hydroxy-1-{[1-({2-hydroxy-1-[(2-hydroxy-1-{[2-hydroxy-1-({1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]-2-(1h-indol-3-yl)ethyl}-c-hydroxycarbonimidoyl)ethyl]-c-hydroxycarbonimidoyl}ethyl)-c-hydroxycarbonimidoyl]propyl}-c-hydroxycarbonimidoyl)-2-phenylethyl]-c-hydroxycarbonimidoyl}propyl)-4-methylpentanimidic acid

C47H65N11O14 (1007.471223)


   

(4r)-2-[(2s,4s)-1-[(2r)-3-(3-bromo-4-hydroxyphenyl)-2-[(2s)-2-[(1-hydroxy-2,2-dimethylpropylidene)amino]-n-methylpropanamido]propanoyl]-4-methylpyrrolidin-2-yl]-n-[(1r)-3-methyl-1-{methyl[(2s)-1-oxo-3-phenyl-1-[(2s)-2-propanoylpyrrolidin-1-yl]propan-2-yl]carbamoyl}butyl]-4,5-dihydro-1,3-thiazole-4-carboximidic acid

(4r)-2-[(2s,4s)-1-[(2r)-3-(3-bromo-4-hydroxyphenyl)-2-[(2s)-2-[(1-hydroxy-2,2-dimethylpropylidene)amino]-n-methylpropanamido]propanoyl]-4-methylpyrrolidin-2-yl]-n-[(1r)-3-methyl-1-{methyl[(2s)-1-oxo-3-phenyl-1-[(2s)-2-propanoylpyrrolidin-1-yl]propan-2-yl]carbamoyl}butyl]-4,5-dihydro-1,3-thiazole-4-carboximidic acid

C50H70BrN7O8S (1007.4189680000001)


   

[3-benzyl-12-(4-carbamimidamidobutyl)-1,4,7,10,17,20-hexahydroxy-19-(1-hydroxyethyl)-9-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-16-isopropyl-14-methyl-13,23-dioxo-3h,6h,9h,12h,14h,15h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[1,2-j]1,4,7,10,13,16,19,22-octaazacyclopentacosan-6-yl]acetic acid

[3-benzyl-12-(4-carbamimidamidobutyl)-1,4,7,10,17,20-hexahydroxy-19-(1-hydroxyethyl)-9-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-16-isopropyl-14-methyl-13,23-dioxo-3h,6h,9h,12h,14h,15h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[1,2-j]1,4,7,10,13,16,19,22-octaazacyclopentacosan-6-yl]acetic acid

C48H69N11O13 (1007.5076064)


   

(2s)-n-[(1s,2r)-2-hydroxy-1-{[(1s)-1-{[(1s,2r)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}propyl]-2-({hydroxy[(2s)-5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl]methylidene}amino)-4-methylpentanimidic acid

(2s)-n-[(1s,2r)-2-hydroxy-1-{[(1s)-1-{[(1s,2r)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}propyl]-2-({hydroxy[(2s)-5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl]methylidene}amino)-4-methylpentanimidic acid

C47H65N11O14 (1007.471223)


   

[(3s,6s,9s,12s,14r,16s,19s,22s,27as)-3-benzyl-12-(4-carbamimidamidobutyl)-1,4,7,10,17,20-hexahydroxy-19-[(1r)-1-hydroxyethyl]-9-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-16-isopropyl-14-methyl-13,23-dioxo-3h,6h,9h,12h,14h,15h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[1,2-j]1,4,7,10,13,16,19,22-octaazacyclopentacosan-6-yl]acetic acid

[(3s,6s,9s,12s,14r,16s,19s,22s,27as)-3-benzyl-12-(4-carbamimidamidobutyl)-1,4,7,10,17,20-hexahydroxy-19-[(1r)-1-hydroxyethyl]-9-(hydroxymethyl)-22-[(4-hydroxyphenyl)methyl]-16-isopropyl-14-methyl-13,23-dioxo-3h,6h,9h,12h,14h,15h,16h,19h,22h,25h,26h,27h,27ah-pyrrolo[1,2-j]1,4,7,10,13,16,19,22-octaazacyclopentacosan-6-yl]acetic acid

C48H69N11O13 (1007.5076064)


   

(2s)-2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-n-[(1s,2r)-2-hydroxy-1-{[(1s)-1-{[(1s,2r)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}propyl]-4-methylpentanimidic acid

(2s)-2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-n-[(1s,2r)-2-hydroxy-1-{[(1s)-1-{[(1s,2r)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-2-hydroxy-1-{[(1s)-1-[(c-hydroxycarbonimidoylmethyl)-c-hydroxycarbonimidoyl]-2-(1h-indol-3-yl)ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}ethyl]-c-hydroxycarbonimidoyl}propyl]-c-hydroxycarbonimidoyl}-2-phenylethyl]-c-hydroxycarbonimidoyl}propyl]-4-methylpentanimidic acid

C47H65N11O14 (1007.471223)