Exact Mass: 789.4663

Exact Mass Matches: 789.4663

Found 43 metabolites which its exact mass value is equals to given mass value 789.4663, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 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 (789.4663)


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 (789.4663)


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)

   

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 (789.4581)


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 (789.4581)


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).

   
   

Desmethyltacrolimus

Desmethyltacrolimus

C43H67NO12 (789.4663)


   

13-O-Demethyl tacrolimus

13-O-Demethyl tacrolimus

C43H67NO12 (789.4663)


   

Tacrolimus metabolite, M-VIII

Tacrolimus metabolite, M-VIII

C43H67NO12 (789.4663)


   

Tacrolimus metabolite M-I

Tacrolimus metabolite M-I

C43H67NO12 (789.4663)


   

Melonoside A

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

C43H67NO12 (789.4663)


   

31-O-Demethyl-FK506

31-O-Demethyl-FK506

C43H67NO12 (789.4663)


   

13-Demethyl tacrolimus

13-Demethyl tacrolimus

C43H67NO12 (789.4663)


   

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

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

C43H68NO10P (789.4581)


   

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

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

C43H68NO10P (789.4581)


   

SHexCer 20:3;2O/14:1;O

SHexCer 20:3;2O/14:1;O

C40H71NO12S (789.4697)


   

SHexCer 16:2;2O/18:2;O

SHexCer 16:2;2O/18:2;O

C40H71NO12S (789.4697)


   

SHexCer 15:3;2O/19:1;O

SHexCer 15:3;2O/19:1;O

C40H71NO12S (789.4697)


   

SHexCer 19:3;2O/15:1;O

SHexCer 19:3;2O/15:1;O

C40H71NO12S (789.4697)


   

SHexCer 14:2;2O/20:2;O

SHexCer 14:2;2O/20:2;O

C40H71NO12S (789.4697)


   

SHexCer 21:3;2O/13:1;O

SHexCer 21:3;2O/13:1;O

C40H71NO12S (789.4697)


   

SHexCer 16:3;2O/18:1;O

SHexCer 16:3;2O/18:1;O

C40H71NO12S (789.4697)


   

SHexCer 14:3;2O/20:1;O

SHexCer 14:3;2O/20:1;O

C40H71NO12S (789.4697)


   

SHexCer 18:3;2O/16:1;O

SHexCer 18:3;2O/16:1;O

C40H71NO12S (789.4697)


   

SHexCer 18:2;2O/16:2;O

SHexCer 18:2;2O/16:2;O

C40H71NO12S (789.4697)


   

SHexCer 22:3;2O/12:1;O

SHexCer 22:3;2O/12:1;O

C40H71NO12S (789.4697)


   

Lnaps 24:7/N-13:1

Lnaps 24:7/N-13:1

C43H68NO10P (789.4581)


   

Lnaps 13:1/N-24:7

Lnaps 13:1/N-24:7

C43H68NO10P (789.4581)


   
   

(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 (789.4581)


   

(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 (789.4581)


   

(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 (789.4581)


   

31-O-Demethyltacrolimus

31-O-Demethyltacrolimus

C43H67NO12 (789.4663)


   
   
   
   
   
   
   
   
   

(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 (789.4663)


   

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 (789.4663)


   

(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 (789.4663)