Exact Mass: 955.4684454

Exact Mass Matches: 955.4684454

Found 21 metabolites which its exact mass value is equals to given mass value 955.4684454, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

CDP-DG(i-12:0/18:1(12Z)-2OH(9,10))

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-3-[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

C42H75N3O17P2 (955.4571480000001)


CDP-DG(i-12:0/18:1(12Z)-2OH(9,10)) 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(i-12:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one 10-methylundecanoyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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(18:1(12Z)-2OH(9,10)/i-12:0)

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-2-[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)phosphinic acid

C42H75N3O17P2 (955.4571480000001)


CDP-DG(18:1(12Z)-2OH(9,10)/i-12:0) 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(18:1(12Z)-2OH(9,10)/i-12:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of 10-methylundecanoyl 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).

   

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)


   

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate

C48H75O19- (955.4902300000001)


   

oleanolate 3-beta-D-glucuronoside-(3,1)-galactoside-28-glucoside

oleanolate 3-beta-D-glucuronoside-(3,1)-galactoside-28-glucoside

C48H75O19- (955.4902300000001)


   
   
   

(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)


   

Cholecystokinin Precursor (24-32) (rat)

Cholecystokinin Precursor (24-32) (rat)

C42H69N9O14S (955.4684454)


Cholecystokinin Precursor (24-32) (rat) is a cholecystokinin precursor that can be expressed in the heart, lungs, and kidneys as well as in the gastrointestinal tract and brain. Cholecystokinin is a brain-gut peptide that stimulates gallbladder contraction and pancreatic exocrine secretion and also acts as a neurotransmitter[1].

   

TRV120056

TRV120056

C43H65N13O12 (955.4875410000001)


TRV120056 is a Gq-biased agonists, exhibits 10-fold larger molecular efficacies at the AT1R-Gq fusion protein compared with the AT1R-βarr2 fusion protein[1].

   

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)