Exact Mass: 1053.4272688

Exact Mass Matches: 1053.4272688

Found 19 metabolites which its exact mass value is equals to given mass value 1053.4272688, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

CDP-DG(18:3(6Z,9Z,12Z)/PGJ2)

[(1R,9R,15Z,18S,22R,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,23,24-tetrahydroxy-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]hexacosa-15,19-dien-9-yl]methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

C50H77N3O17P2 (1053.4727972)


CDP-DG(18:3(6Z,9Z,12Z)/PGJ2) 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(18:3(6Z,9Z,12Z)/PGJ2), in particular, consists of one chain of one 6Z,9Z,12Z-octadecatrienoyl at the C-1 position and one chain of Prostaglandin J2 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(PGJ2/18:3(6Z,9Z,12Z))

(1R,9R,16Z,19S,23R,24S,25S,27R)-27-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,24,25-tetrahydroxy-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]heptacosa-16,20-dien-9-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

C50H77N3O17P2 (1053.4727972)


CDP-DG(PGJ2/18:3(6Z,9Z,12Z)) 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(PGJ2/18:3(6Z,9Z,12Z)), in particular, consists of one chain of one Prostaglandin J2 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 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(18:3(9Z,12Z,15Z)/PGJ2)

[(1R,9R,15Z,18S,22R,23S,24S,26R)-26-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,23,24-tetrahydroxy-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]hexacosa-15,19-dien-9-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C50H77N3O17P2 (1053.4727972)


CDP-DG(18:3(9Z,12Z,15Z)/PGJ2) 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(18:3(9Z,12Z,15Z)/PGJ2), in particular, consists of one chain of one 9Z,12Z,15Z-octadecatrienoyl at the C-1 position and one chain of Prostaglandin J2 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(PGJ2/18:3(9Z,12Z,15Z))

(1R,9R,16Z,19S,23R,24S,25S,27R)-27-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,6,24,25-tetrahydroxy-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]heptacosa-16,20-dien-9-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C50H77N3O17P2 (1053.4727972)


CDP-DG(PGJ2/18:3(9Z,12Z,15Z)) 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(PGJ2/18:3(9Z,12Z,15Z)), in particular, consists of one chain of one Prostaglandin J2 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 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).

   
   

C42H71NO29

NCGC00384677-01_C42H71NO29_

C42H71NO29 (1053.4111556)


   

(Deamino-Cys1,β-(3-pyridyl)-D-Ala2,Arg8)-Vasopressin trifluoroacetate salt

(Deamino-Cys1,β-(3-pyridyl)-D-Ala2,Arg8)-Vasopressin trifluoroacetate salt

C45H63N15O11S2 (1053.4272688)


   

Atosiban acetate

Atosiban acetate

C45H71N11O14S2 (1053.4623146)


Atosiban acetate (RW22164 acetate;RWJ22164 acetate) is a nonapeptide competitive vasopressin/oxytocin receptor antagonist, and is a desamino-oxytocin analogue. Atosiban is the main tocolytic agent and has the potential for spontaneous preterm labor research[1].

   
   
   

CDP-DG(18:3(9Z,12Z,15Z)/PGJ2)

CDP-DG(18:3(9Z,12Z,15Z)/PGJ2)

C50H77N3O17P2 (1053.4727972)


   

CDP-DG(PGJ2/18:3(9Z,12Z,15Z))

CDP-DG(PGJ2/18:3(9Z,12Z,15Z))

C50H77N3O17P2 (1053.4727972)


   

[(3r,6s)-6-{[(3r)-6-{[(3r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(3r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-{[(5r)-3,4-dihydroxy-6-methyl-5-{[(4r)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl 3-methylbutanoate

[(3r,6s)-6-{[(3r)-6-{[(3r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(3r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-{[(5r)-3,4-dihydroxy-6-methyl-5-{[(4r)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl 3-methylbutanoate

C42H71NO29 (1053.4111556)


   

(2r)-6-amino-n-[(3s,7s,11s)-7,11-bis({[(2r)-6-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene]amino})-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}hexanimidic acid

(2r)-6-amino-n-[(3s,7s,11s)-7,11-bis({[(2r)-6-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene]amino})-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}hexanimidic acid

C48H63N9O18 (1053.4290858)


   

[(2r,3s,4r,5r,6r)-6-{[(2r,3s,4r,5r,6r)-6-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-{[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl 3-methylbutanoate

[(2r,3s,4r,5r,6r)-6-{[(2r,3s,4r,5r,6r)-6-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-{[(2r,3r,4s,5s,6r)-3,4-dihydroxy-6-methyl-5-{[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl 3-methylbutanoate

C42H71NO29 (1053.4111556)


   

tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one)

tris(1-hydroxy-5-methoxy-3-methyl-6-({7-[(1e)-3-methylbuta-1,3-dien-1-yl]-1h-indol-3-yl}methyl)pyrazin-2-one)

C60H63N9O9 (1053.4748508)


   

6-amino-n-{7,11-bis[(6-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl}-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}hexanimidic acid

6-amino-n-{7,11-bis[(6-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-1-hydroxyhexylidene)amino]-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl}-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}hexanimidic acid

C48H63N9O18 (1053.4290858)


   

{6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-[(3,4-dihydroxy-6-methyl-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}methyl 3-methylbutanoate

{6-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3-[(3,4-dihydroxy-6-methyl-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}methyl 3-methylbutanoate

C42H71NO29 (1053.4111556)