Exact Mass: 789.4362798000001

Exact Mass Matches: 789.4362798000001

Found 96 metabolites which its exact mass value is equals to given mass value 789.4362798000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

31-O-Demethyltacrolimus

(18Z,23S,24R)-12-[(1E)-1-[(4S)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

C43H67NO12 (789.4663022)


31-O-Demethyltacrolimus is a metabolite of tacrolimus. Tacrolimus (also FK-506 or fujimycin, trade names Prograf, Advagraf, Protopic) is an immunosuppressive drug that is mainly used after allogeneic organ transplant to reduce the activity of the patients immune system and so lower the risk of organ rejection. It is also used in a topical preparation in the treatment of atopic dermatitis, severe refractory uveitis after bone marrow transplants, exacerbations of minimal change disease, and the skin condition vitiligo. (Wikipedia)

   

13-Demethyl tacrolimus

(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24S,25S,27R)-1,14,25-trihydroxy-12-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23-methoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

C43H67NO12 (789.4663022)


13-Demethyl tacrolimus is a metabolite of tacrolimus. Tacrolimus (also FK-506 or fujimycin, trade names Prograf, Advagraf, Protopic) is an immunosuppressive drug that is mainly used after allogeneic organ transplant to reduce the activity of the patients immune system and so lower the risk of organ rejection. It is also used in a topical preparation in the treatment of atopic dermatitis, severe refractory uveitis after bone marrow transplants, exacerbations of minimal change disease, and the skin condition vitiligo. (Wikipedia)

   

Tyr-pro-phe-pro-gly-pro-ile

2-({[1-(2-{[(1-{2-[({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}acetyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-methylpentanoate

C41H55N7O9 (789.406106)


   

PE(18:4(6Z,9Z,12Z,15Z)/PGJ2)

(2-aminoethoxy)[(2R)-2-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid

C43H68NO10P (789.4580598)


PE(18:4(6Z,9Z,12Z,15Z)/PGJ2) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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, phosphatidylethanolamines 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. PE(18:4(6Z,9Z,12Z,15Z)/PGJ2), in particular, consists of one chain of one 6Z,9Z,12Z,15Z-octadecatetraenoyl 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 PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PE(PGJ2/18:4(6Z,9Z,12Z,15Z))

(2-aminoethoxy)[(2R)-3-{[(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy}-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propoxy]phosphinic acid

C43H68NO10P (789.4580598)


PE(PGJ2/18:4(6Z,9Z,12Z,15Z)) is an oxidized phosphatidylethanolamine (PE). Oxidized phosphatidylethanolamines are glycerophospholipids in which a phosphorylethanolamine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylethanolamines 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, phosphatidylethanolamines 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. PE(PGJ2/18:4(6Z,9Z,12Z,15Z)), in particular, consists of one chain of one Prostaglandin J2 at the C-1 position and one chain of 6Z,9Z,12Z,15Z-octadecatetraenoyl 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 PEs can be synthesized via three different routes. In one route, the oxidized PE is synthetized de novo following the same mechanisms as for PEs 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 PE backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(13:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-oxo-3-{[(2R)-1-(phosphonooxy)-3-(tridecanoyloxy)propan-2-yl]oxy}propyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C39H68NO11PS (789.4250468)


PA(13:0/LTE4) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(13:0/LTE4), in particular, consists of one chain of one tridecanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(LTE4/13:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-oxo-3-[(2R)-3-(phosphonooxy)-2-(tridecanoyloxy)propoxy]propyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C39H68NO11PS (789.4250468)


PA(LTE4/13:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(LTE4/13:0), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of tridecanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(a-13:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-[(10-methyldodecanoyl)oxy]-3-(phosphonooxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C39H68NO11PS (789.4250468)


PA(a-13:0/LTE4) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(a-13:0/LTE4), in particular, consists of one chain of one 10-methyldodecanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(LTE4/a-13:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-2-[(10-methyldodecanoyl)oxy]-3-(phosphonooxy)propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C39H68NO11PS (789.4250468)


PA(LTE4/a-13:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(LTE4/a-13:0), in particular, consists of one chain of one Leukotriene E4 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(i-13:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-[(11-methyldodecanoyl)oxy]-3-(phosphonooxy)propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C39H68NO11PS (789.4250468)


PA(i-13:0/LTE4) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(i-13:0/LTE4), in particular, consists of one chain of one 11-methyldodecanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(LTE4/i-13:0)

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

C39H68NO11PS (789.4250468)


PA(LTE4/i-13:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(LTE4/i-13:0), in particular, consists of one chain of one Leukotriene E4 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

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

(2S)-2-amino-3-({[(2R)-2-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-3-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C40H72NO12P (789.4791882)


PS(14:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 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(14:0/20:3(8Z,11Z,14Z)-2OH(5,6)), in particular, consists of one chain of one tetradecanoyl 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 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(20:3(8Z,11Z,14Z)-2OH(5,6)/14:0)

(2S)-2-amino-3-({[(2R)-3-{[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy}-2-(tetradecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C40H72NO12P (789.4791882)


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

   
   
   

cyclo-(Pro-Gly-Phe-Asp-Phe-Ile-Leu)|gypsophin F

cyclo-(Pro-Gly-Phe-Asp-Phe-Ile-Leu)|gypsophin F

C41H55N7O9 (789.406106)


   
   
   

13-O-Demethyl tacrolimus

13-O-Demethyl tacrolimus

C43H67NO12 (789.4663022)


   

Tacrolimus metabolite, M-VIII

Tacrolimus metabolite, M-VIII

C43H67NO12 (789.4663022)


   

Tacrolimus metabolite M-I

Tacrolimus metabolite M-I

C43H67NO12 (789.4663022)


   

Indinavir-N-glucuronide

Indinavir-N-glucuronide

C42H55N5O10 (789.394873)


   

Melonoside A

N-((28-O-beta-D-glucuronopyranosyl)-11,18-dioxo-2S-methoxy-5Z,21Z-octacosadienoyl)-tyramine

C43H67NO12 (789.4663022)


   

β-Casomorphin, bovine

β-Casomorphin, bovine

C41H55N7O9 (789.406106)


   
   

Tyr-pro-phe-pro-gly-pro-ile

2-({[1-(2-{[(1-{2-[({1-[2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl}(hydroxy)methylidene)amino]-3-phenylpropanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]amino}acetyl)pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-methylpentanoate

C41H55N7O9 (789.406106)


   

13-Demethyl tacrolimus

13-Demethyl tacrolimus

C43H67NO12 (789.4663022)


   
   
   
   
   
   
   

PE(18:4(6Z,9Z,12Z,15Z)/PGJ2)

PE(18:4(6Z,9Z,12Z,15Z)/PGJ2)

C43H68NO10P (789.4580598)


   

PE(PGJ2/18:4(6Z,9Z,12Z,15Z))

PE(PGJ2/18:4(6Z,9Z,12Z,15Z))

C43H68NO10P (789.4580598)


   

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

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

C40H72NO12P (789.4791882)


   

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

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

C40H72NO12P (789.4791882)


   

Curacomycin

Curacomycin

C37H56ClN9O8 (789.3940166)


A homodetic cyclic peptide found in several Streptomyces species, consisting of 3-hydroxyasparagine, L-ornithine, L-isoleucine, D-leucine, D-valine and 5-chloro-L-tryptophan joined in sequence in a cyclic arrangement by peptide linkages. It exhibits antibacterial properties.

   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   
   

(2R)-2-amino-3-[[3-[(9E,11E,13E,15E)-henicosa-9,11,13,15-tetraenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2R)-2-amino-3-[[3-[(9E,11E,13E,15E)-henicosa-9,11,13,15-tetraenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C43H68NO10P (789.4580598)


   

(2R)-2-amino-3-[[3-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2R)-2-amino-3-[[3-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C43H68NO10P (789.4580598)


   

(2R)-2-amino-3-[[3-[(9E,11E,13E)-henicosa-9,11,13-trienoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

(2R)-2-amino-3-[[3-[(9E,11E,13E)-henicosa-9,11,13-trienoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C43H68NO10P (789.4580598)


   

31-O-Demethyltacrolimus

31-O-Demethyltacrolimus

C43H67NO12 (789.4663022)


   

BiotinylPE(23:1)

BiotinylPE(10:1_13:0)

C38H68N3O10PS (789.4362798000001)


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RTSPSSR

RTSPSSR

C30H55N13O12 (789.409295)


RTSPSSR is synthesized peptide, which binds specifically to claudin-1 and visulizes the CRC tumor in mice, through near-infrared fluorescence imaging[1].

   

(18e)-12-[(1e)-1-(3,4-dihydroxycyclohexyl)prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

(18e)-12-[(1e)-1-(3,4-dihydroxycyclohexyl)prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

C43H67NO12 (789.4663022)


   

2-[(5s,8r,11r,14s,17s)-17-(3-aminopropyl)-14-[(2s)-butan-2-yl]-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

2-[(5s,8r,11r,14s,17s)-17-(3-aminopropyl)-14-[(2s)-butan-2-yl]-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

C37H56ClN9O8 (789.3940166)


   

2-[17-(3-aminopropyl)-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-14-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

2-[17-(3-aminopropyl)-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-14-(sec-butyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

C37H56ClN9O8 (789.3940166)


   

12-[1-(3,4-dihydroxycyclohexyl)prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

12-[1-(3,4-dihydroxycyclohexyl)prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

C43H67NO12 (789.4663022)


   

15-benzyl-12-ethyl-1,7-dihydroxy-3-(hydroxymethyl)-5,11-dimethyl-9-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-6-(sec-butyl)-3h,6h,9h,12h,15h,18h,19h,20h,20ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclooctadecane-4,10,13,16-tetrone

15-benzyl-12-ethyl-1,7-dihydroxy-3-(hydroxymethyl)-5,11-dimethyl-9-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-6-(sec-butyl)-3h,6h,9h,12h,15h,18h,19h,20h,20ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclooctadecane-4,10,13,16-tetrone

C43H59N5O9 (789.4312564)


   

(3s,6s,9s,12s,15r,20as)-15-benzyl-6-[(2s)-butan-2-yl]-12-ethyl-1,7-dihydroxy-3-(hydroxymethyl)-5,11-dimethyl-9-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3h,6h,9h,12h,15h,18h,19h,20h,20ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclooctadecane-4,10,13,16-tetrone

(3s,6s,9s,12s,15r,20as)-15-benzyl-6-[(2s)-butan-2-yl]-12-ethyl-1,7-dihydroxy-3-(hydroxymethyl)-5,11-dimethyl-9-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3h,6h,9h,12h,15h,18h,19h,20h,20ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclooctadecane-4,10,13,16-tetrone

C43H59N5O9 (789.4312564)


   

(2r)-2-[(2r,5s,8r,11r,14s,17s)-17-(3-aminopropyl)-14-[(2r)-butan-2-yl]-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

(2r)-2-[(2r,5s,8r,11r,14s,17s)-17-(3-aminopropyl)-14-[(2r)-butan-2-yl]-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

C37H56ClN9O8 (789.3940166)


   

(1r,9s,12s,13r,14s,17r,18z,21s,23s,24r,25s,27r)-12-[(1e)-1-[(1r,3r,4r)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

(1r,9s,12s,13r,14s,17r,18z,21s,23s,24r,25s,27r)-12-[(1e)-1-[(1r,3r,4r)-3,4-dihydroxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-17-(prop-2-en-1-yl)-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone

C43H67NO12 (789.4663022)


   

(2s)-2-[(2s,5s,8s,11s,14s,17s)-17-(3-aminopropyl)-14-[(2s)-butan-2-yl]-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

(2s)-2-[(2s,5s,8s,11s,14s,17s)-17-(3-aminopropyl)-14-[(2s)-butan-2-yl]-5-[(5-chloro-1h-indol-3-yl)methyl]-3,6,9,12,15,18-hexahydroxy-8-isopropyl-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]-2-hydroxyethanimidic acid

C37H56ClN9O8 (789.3940166)


   

(3r,12s,18r,21r,24s)-15,21-dibenzyl-18-[(2r)-butan-2-yl]-5,14,17,20,23-pentahydroxy-3-[(1s)-1-hydroxyethyl]-12-(hydroxymethyl)-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione

(3r,12s,18r,21r,24s)-15,21-dibenzyl-18-[(2r)-butan-2-yl]-5,14,17,20,23-pentahydroxy-3-[(1s)-1-hydroxyethyl]-12-(hydroxymethyl)-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaene-2,11-dione

C41H55N7O9 (789.406106)