Exact Mass: 1080.4429688

Exact Mass Matches: 1080.4429688

Found 26 metabolites which its exact mass value is equals to given mass value 1080.4429688, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cys-phe-phe-D-trp-lys-thr-phe-D-cys

2-[(2-{[2-({6-amino-2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-sulphanylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-3-phenylpropylidene]amino}-1-hydroxy-3-(1H-indol-3-yl)propylidene)amino]-1-hydroxyhexylidene}amino)-1,3-dihydroxybutylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-3-sulphanylpropanoic acid

C54H68N10O10S2 (1080.4561068)


   

CDP-DG(i-12:0/LTE4)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-{[(2R)-1-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-[(10-methylundecanoyl)oxy]propan-2-yl]oxy}-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H78N4O18P2S (1080.4506827999999)


CDP-DG(i-12:0/LTE4) 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/LTE4), in particular, consists of one chain of one 10-methylundecanoyl 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 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(LTE4/i-12:0)

(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-3-[(2R)-3-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-[(10-methylundecanoyl)oxy]propoxy]-3-oxopropyl]sulphanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

C47H78N4O18P2S (1080.4506827999999)


CDP-DG(LTE4/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(LTE4/i-12:0), in particular, consists of one chain of one Leukotriene E4 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).

   
   
   
   

1 3 5 7 9 11 13 15-OCTACYCLOHEXYLPENTA-&

1 3 5 7 9 11 13 15-OCTACYCLOHEXYLPENTA-&

C48H88O12Si8 (1080.4429688)


   

[1,1:4,1:2,1:4,1-Quinquephenyl]-4,4-diamine, 3,4,5,6-tetrakis(4-amino[1,1-biphenyl]-4-yl)-

[1,1:4,1:2,1:4,1-Quinquephenyl]-4,4-diamine, 3,4,5,6-tetrakis(4-amino[1,1-biphenyl]-4-yl)-

C78H60N6 (1080.48792)


   

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]a-GalNAc

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]a-GalNAc

C41H68N4O29 (1080.3969038)


   

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc

NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]GalNAc

C41H68N4O29 (1080.3969038)


   

beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc

beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc

C41H68N4O29 (1080.3969038)


   

NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)b-GlcNAc

NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-4)GlcNAc(b1-4)b-GlcNAc

C41H68N4O29 (1080.3969038)


   
   
   
   
   

Laminin (925-933)(TFA)

Laminin (925-933)(TFA)

C42H63F3N12O16S (1080.4157594)


Laminin (925-933) (TFA) is a peptide derived from residues 925-933 of the Laminin B1 chain that binds to the laminin receptor[1].

   

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C49H76O24S (1080.4447016)


   

3-[18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

3-[18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-(1-hydroxyethyl)-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

C54H68N10O14 (1080.4916228000002)


   

3-[(3s,9s,15s,18s,21s,24s,29as)-18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-[(1r)-1-hydroxyethyl]-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

3-[(3s,9s,15s,18s,21s,24s,29as)-18,21-dibenzyl-1,4,7,10,13,16,19,22-octahydroxy-24-(c-hydroxycarbonimidoylmethyl)-9-[(1r)-1-hydroxyethyl]-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-25-oxo-3h,6h,9h,12h,15h,18h,21h,24h,27h,28h,29h,29ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22,25-nonaazacycloheptacosan-15-yl]propanoic acid

C54H68N10O14 (1080.4916228000002)


   

[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxidanesulfonic acid

[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4-hydroxy-6-({16-hydroxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl}oxy)oxan-3-yl]oxidanesulfonic acid

C49H76O24S (1080.4447016)


   

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(3s,4r,5r,6s)-5-{[(2s,3r,4r,5s,6s)-3,5-dihydroxy-6-methyl-4-{[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-{[(1s,2s,4s,8s,9s,12s,13r,14r,16r)-16-hydroxy-7,9,13-trimethyl-6-[3-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-6,18-dien-14-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C49H76O24S (1080.4447016)