Exact Mass: 955.5482294000001

Exact Mass Matches: 955.5482294000001

Found 26 metabolites which its exact mass value is equals to given mass value 955.5482294000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

(Sar1,Thr8)-Angiotensin II

2-{[1-(2-{2-[2-(2-{5-[(diaminomethylidene)amino]-2-[2-(methylamino)acetamido]pentanamido}-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido}-3-(3H-imidazol-4-yl)propanoyl)pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

C44H69N13O11 (955.5239244)


   

PG(20:3(5Z,8Z,11Z)/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C49H82NO13PS (955.5244212)


PG(20:3(5Z,8Z,11Z)/LTE4) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(20:3(5Z,8Z,11Z)/LTE4), in particular, consists of one chain of one 5Z,8Z,11Z-eicosatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(LTE4/20:3(5Z,8Z,11Z))

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C49H82NO13PS (955.5244212)


PG(LTE4/20:3(5Z,8Z,11Z)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(LTE4/20:3(5Z,8Z,11Z)), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 5Z,8Z,11Z-eicosatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(20:3(8Z,11Z,14Z)/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C49H82NO13PS (955.5244212)


PG(20:3(8Z,11Z,14Z)/LTE4) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(20:3(8Z,11Z,14Z)/LTE4), in particular, consists of one chain of one 8Z,11Z,14Z-eicosatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(LTE4/20:3(8Z,11Z,14Z))

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C49H82NO13PS (955.5244212)


PG(LTE4/20:3(8Z,11Z,14Z)) is an oxidized phosphatidylglycerol (PG). Oxidized phosphatidylglycerols 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 phosphatidylglycerols 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, phosphatidylglycerols 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. PG(LTE4/20:3(8Z,11Z,14Z)), in particular, consists of one chain of one Leukotriene E4 at the C-1 position and one chain of 8Z,11Z,14Z-eicosatrienoyl 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 PGs can be synthesized via three different routes. In one route, the oxidized PG is synthetized de novo following the same mechanisms as for PGs 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 PG backbone, mainly through the action of LOX (PMID: 33329396).

   

cyclo-(Pro1-Pro2-Leu2-Leu1-Phe2-Pro3-Gly-Ser-Phe1)|japonicin A

cyclo-(Pro1-Pro2-Leu2-Leu1-Phe2-Pro3-Gly-Ser-Phe1)|japonicin A

C50H69N9O10 (955.5167134)


   

acacic acid 3-O-beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranoside|prosapogenin 2

acacic acid 3-O-beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-2-acetamido-2-deoxy-beta-D-glucopyranoside|prosapogenin 2

C48H77NO18 (955.5140382)


   
   

[(1R,2R,3S,4R,5S,6S)-3-[[(2S)-2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propoxy]-oxidophosphoryl]oxy-2,4,5,6-tetrahydroxycyclohexyl] phosphate

[(1R,2R,3S,4R,5S,6S)-3-[[(2S)-2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propoxy]-oxidophosphoryl]oxy-2,4,5,6-tetrahydroxycyclohexyl] phosphate

C49H81O14P2-3 (955.5101286)


   
   
   

PG(20:3(8Z,11Z,14Z)/LTE4)

PG(20:3(8Z,11Z,14Z)/LTE4)

C49H82NO13PS (955.5244212)


   

PG(LTE4/20:3(8Z,11Z,14Z))

PG(LTE4/20:3(8Z,11Z,14Z))

C49H82NO13PS (955.5244212)


   

2-[[(2R)-2-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxy-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C49H84N2O12PS+ (955.5482294000001)


   

2-[[(2R)-3-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-3-[(2R)-2-amino-3-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylpropanoyl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C49H84N2O12PS+ (955.5482294000001)


   

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

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

C48H77NO18 (955.5140382)


   

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

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

C48H77NO18 (955.5140382)


   

(4Z,7Z,10Z,13Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]hexadeca-4,7,10,13-tetraenamide

(4Z,7Z,10Z,13Z)-N-[(4E,8E,12E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxytetradeca-4,8,12-trien-2-yl]hexadeca-4,7,10,13-tetraenamide

C48H77NO18 (955.5140382)


   
   

CALP1 (TFA)

CALP1 (TFA)

C42H76F3N9O12 (955.5565251999999)


CALP1 TFA is a calmodulin (CaM) agonist (Kd of 88 μM) with binding to the CaM EF-hand/Ca2+-binding site. CALP1 TFA blocks calcium influx and apoptosis (IC50 of 44.78 μM) through inhibition of calcium channel opening. CALP1 TFA blocks glutamate receptor channels and blocks a store-operated nonselective cation channel. CALP1 TFA activates CaM-dependent phosphodiesterase activity[1][2][3][4].

   

CALP1 (TFA)

CALP1 (TFA)

C42H76F3N9O12 (955.5565251999999)


CALP1 TFA is a calmodulin (CaM) agonist (Kd of 88 μM) with binding to the CaM EF-hand/Ca2+-binding site. CALP1 TFA blocks calcium influx and apoptosis (IC50 of 44.78 μM) through inhibition of calcium channel opening. CALP1 TFA blocks glutamate receptor channels and blocks a store-operated nonselective cation channel. CALP1 TFA activates CaM-dependent phosphodiesterase activity[1][2][3][4].

   

9,24-dibenzyl-11,14,17,26,29,32-hexahydroxy-12-(hydroxymethyl)-27,30-bis(2-methylpropyl)-1,7,10,13,16,22,25,28,31-nonaazatetracyclo[31.3.0.0³,⁷.0¹⁸,²²]hexatriaconta-10,13,16,25,28,31-hexaene-2,8,23-trione

9,24-dibenzyl-11,14,17,26,29,32-hexahydroxy-12-(hydroxymethyl)-27,30-bis(2-methylpropyl)-1,7,10,13,16,22,25,28,31-nonaazatetracyclo[31.3.0.0³,⁷.0¹⁸,²²]hexatriaconta-10,13,16,25,28,31-hexaene-2,8,23-trione

C50H69N9O10 (955.5167134)


   

(3s,9s,12s,18s,24s,27s,30s,33s)-9,24-dibenzyl-11,14,17,26,29,32-hexahydroxy-12-(hydroxymethyl)-27,30-bis(2-methylpropyl)-1,7,10,13,16,22,25,28,31-nonaazatetracyclo[31.3.0.0³,⁷.0¹⁸,²²]hexatriaconta-10,13,16,25,28,31-hexaene-2,8,23-trione

(3s,9s,12s,18s,24s,27s,30s,33s)-9,24-dibenzyl-11,14,17,26,29,32-hexahydroxy-12-(hydroxymethyl)-27,30-bis(2-methylpropyl)-1,7,10,13,16,22,25,28,31-nonaazatetracyclo[31.3.0.0³,⁷.0¹⁸,²²]hexatriaconta-10,13,16,25,28,31-hexaene-2,8,23-trione

C50H69N9O10 (955.5167134)


   

10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl}oxy)-3,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl}oxy)-3,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C48H77NO18 (955.5140382)


   

(3s,4ar,5r,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4r,5s,6r)-6-({[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]oxy}-3,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

(3s,4ar,5r,6as,6br,8ar,10s,12ar,12br,14bs)-10-{[(2r,3r,4r,5s,6r)-6-({[(2s,3r,4s,5s)-4,5-dihydroxy-3-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]oxy}-3,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

C48H77NO18 (955.5140382)