Exact Mass: 821.4995282

Exact Mass Matches: 821.4995282

Found 20 metabolites which its exact mass value is equals to given mass value 821.4995282, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PS(15:0/PGF1alpha)

(2S)-2-amino-3-({[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C41H76NO13P (821.5054015999999)


PS(15:0/PGF1alpha) 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(15:0/PGF1alpha), in particular, consists of one chain of one pentadecanoyl at the C-1 position and one chain of Prostaglandin F1alpha 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(PGF1alpha/15:0)

(2S)-2-amino-3-({[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-(pentadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

C41H76NO13P (821.5054015999999)


PS(PGF1alpha/15:0) 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(PGF1alpha/15:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of pentadecanoyl 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).

   

3-<4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)>oxy>olean-12-en-28-oic acid|3-{[O-beta-D-galactopyranosyl-(1[*]4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)]oxy}olean-12-en-28-oic acid

3-<4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)>oxy>olean-12-en-28-oic acid|3-{[O-beta-D-galactopyranosyl-(1[*]4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)]oxy}olean-12-en-28-oic acid

C44H71NO13 (821.4925155999999)


   

lotoidoside E|oleanolic acid 3-O-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoside

lotoidoside E|oleanolic acid 3-O-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoside

C44H71NO13 (821.4925155999999)


   

3-O-[beta-D-Galactopyranosyl-(1?4)-2-acetamido-2-deoxy-beta-D-glucopyranside]-3beta-3-Hydroxy-12-oleanen-28-oic acid

3-O-[beta-D-Galactopyranosyl-(1?4)-2-acetamido-2-deoxy-beta-D-glucopyranside]-3beta-3-Hydroxy-12-oleanen-28-oic acid

C44H71NO13 (821.4925155999999)


   
   
   
   

Tacrolimus

Tacrolimus monohydrate

C44H71NO13 (821.4925155999999)


C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C146638 - Calcineurin Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D016559 - Tacrolimus COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors > D065095 - Calcineurin Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Tacrolimus monohydrate (FK506 monohydrate), a macrocyclic lactone, binds to FK506 binding protein (FKBP) to form a complex and inhibits calcineurin phosphatase, which inhibits T-lymphocyte signal transduction and IL-2 transcription. Immunosuppressive properties[1].

   
   
   
   
   

(6Z,9Z,12Z,15Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]octadeca-6,9,12,15-tetraenamide

(6Z,9Z,12Z,15Z)-N-[(4E,8E,12E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]octadeca-6,9,12,15-tetraenamide

C44H71NO13 (821.4925155999999)


   

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydec-4-en-2-yl]docosa-4,7,10,13,16,19-hexaenamide

C44H71NO13 (821.4925155999999)


   

(3Z,6Z,9Z,12Z,15Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]octadeca-3,6,9,12,15-pentaenamide

(3Z,6Z,9Z,12Z,15Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxytetradeca-4,8-dien-2-yl]octadeca-3,6,9,12,15-pentaenamide

C44H71NO13 (821.4925155999999)


   

(6Z,9Z,12Z,15Z,18Z,21Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide

(6Z,9Z,12Z,15Z,18Z,21Z)-N-[(E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoct-4-en-2-yl]tetracosa-6,9,12,15,18,21-hexaenamide

C44H71NO13 (821.4925155999999)


   

(5Z,8Z,11Z,14Z,17Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-[(4E,8E)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxydodeca-4,8-dien-2-yl]icosa-5,8,11,14,17-pentaenamide

C44H71NO13 (821.4925155999999)