Exact Mass: 830.355865

Exact Mass Matches: 830.355865

Found 46 metabolites which its exact mass value is equals to given mass value 830.355865, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

6'-HMG SDG

5-[(6-{2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C38H54O20 (830.3208284)


Constituent of the seeds of flax (Linum usitatissimum). 6-HMG SDG is found in tea, coffee and coffee products, and fats and oils. 6-HMG SDG is found in coffee and coffee products. 6-HMG SDG is a constituent of the seeds of flax (Linum usitatissimum).

   

PGP(a-13:0/5-iso PGF2VI)

[(2S)-3-({[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-[(10-methyldodecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C37H68O16P2 (830.3982388000001)


PGP(a-13:0/5-iso PGF2VI) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates 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 phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(a-13:0/5-iso PGF2VI), in particular, consists of one chain of one 10-methyldodecanoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(5-iso PGF2VI/a-13:0)

[(2S)-3-({[(2R)-3-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-2-[(10-methyldodecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C37H68O16P2 (830.3982388000001)


PGP(5-iso PGF2VI/a-13:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates 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 phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(5-iso PGF2VI/a-13:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 10-methyldodecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(i-13:0/5-iso PGF2VI)

[(2S)-3-({[(2R)-2-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-3-[(11-methyldodecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C37H68O16P2 (830.3982388000001)


PGP(i-13:0/5-iso PGF2VI) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates 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 phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(i-13:0/5-iso PGF2VI), in particular, consists of one chain of one 11-methyldodecanoyl at the C-1 position and one chain of 5-iso Prostaglandin F2alpha-VI 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

PGP(5-iso PGF2VI/i-13:0)

[(2S)-3-({[(2R)-3-{[(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3R)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoyl]oxy}-2-[(11-methyldodecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C37H68O16P2 (830.3982388000001)


PGP(5-iso PGF2VI/i-13:0) is an oxidized phosphoglycerophosphate (PGP). Oxidized phosphoglycerophosphates 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 phosphoglycerophosphates 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, phosphoglycerophosphates 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. PGP(5-iso PGF2VI/i-13:0), in particular, consists of one chain of one 5-iso Prostaglandin F2alpha-VI at the C-1 position and one chain of 11-methyldodecanoyl 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 PGPs can be synthesized via three different routes. In one route, the oxidized PGP is synthetized de novo following the same mechanisms as for PGPs 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 PGP backbone, mainely through the action of LOX (PMID: 33329396).

   

Chukrasin Methyl Ether

Chukrasin Methyl Ether

C43H58O16 (830.3724668)


   

7beta,15beta,16alpha-Trihydroxy-uzarigenin-3beta-O-(beta-D-digitoxosido-4-beta-D-xylosido-4-alpha-L-rhamnosid)|7beta,15beta,16alpha-Trihydroxy-uzarigenin-3beta-O-

7beta,15beta,16alpha-Trihydroxy-uzarigenin-3beta-O-(beta-D-digitoxosido-4-beta-D-xylosido-4-alpha-L-rhamnosid)|7beta,15beta,16alpha-Trihydroxy-uzarigenin-3beta-O-

C40H62O18 (830.3935951999999)


   
   
   
   

6'-HMG SDG

5-[(6-{2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butoxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

C38H54O20 (830.3208284)


   

Tetra-N-acetylchitotetraose

Tetra-N-acetylchitotetraose

C32H54N4O21 (830.3280394)


   
   

Ac-Asp-D-Gla-Leu-Ile-β-cyclohexyl-Ala-Cys-OH

Ac-Asp-D-Gla-Leu-Ile-β-cyclohexyl-Ala-Cys-OH

C36H58N6O14S (830.3731528000001)


   

Tetraacetyl-Chitotetraose

Tetraacetyl-Chitotetraose

C32H54N4O21 (830.3280394)


   

(2S,4R)-N-[(1R,2R)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-acetamido-3-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]amino]-3-oxopropyl]sulfanyl-3,4,5-trihydroxyoxan-2-yl]-2-hydroxypropyl]-4-propylpyrrolidine-2-carboxamide

(2S,4R)-N-[(1R,2R)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-acetamido-3-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]amino]-3-oxopropyl]sulfanyl-3,4,5-trihydroxyoxan-2-yl]-2-hydroxypropyl]-4-propylpyrrolidine-2-carboxamide

C33H58N4O18S (830.3466648000001)


   
   
   
   
   

GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)b-GlcNAc

GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc(b1-4)b-GlcNAc

C32H54N4O21 (830.3280394)


   

GlcNAc(b1-3)[GlcNAc(b1-4)][GlcNAc(b1-6)]b-GlcNAc

GlcNAc(b1-3)[GlcNAc(b1-4)][GlcNAc(b1-6)]b-GlcNAc

C32H54N4O21 (830.3280394)


   

GlcNAc(a1-4)GlcNAc(b1-4)GlcNAc(b1-4)b-GlcNAc

GlcNAc(a1-4)GlcNAc(b1-4)GlcNAc(b1-4)b-GlcNAc

C32H54N4O21 (830.3280394)


   

GlcNAc(a1-4)GlcNAc(b1-4)GlcNAc(b1-4)a-GlcNAc

GlcNAc(a1-4)GlcNAc(b1-4)GlcNAc(b1-4)a-GlcNAc

C32H54N4O21 (830.3280394)


   

N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C32H54N4O21 (830.3280394)


   

beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->4)]-[beta-D-GlcpNAc-(1->6)]-D-GlcpNAc

beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->4)]-[beta-D-GlcpNAc-(1->6)]-D-GlcpNAc

C32H54N4O21 (830.3280394)


   

beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc

beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc

C32H54N4O21 (830.3280394)


   

GlcNAc(b1-3)[GlcNAc(b1-6)]GlcNAc(b1-4)b-GlcNAc

GlcNAc(b1-3)[GlcNAc(b1-6)]GlcNAc(b1-4)b-GlcNAc

C32H54N4O21 (830.3280394)


   

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose

C32H54N4O21 (830.3280394)


   

GlcNAc(b1-6)GlcNAc(b1-6)GlcNAc(b1-6)GlcNAc

GlcNAc(b1-6)GlcNAc(b1-6)GlcNAc(b1-6)GlcNAc

C32H54N4O21 (830.3280394)


   

GlcNAc(a1-4)GlcNAc(a1-4)GlcNAc(a1-4)a-GlcNAc

GlcNAc(a1-4)GlcNAc(a1-4)GlcNAc(a1-4)a-GlcNAc

C32H54N4O21 (830.3280394)


   

GlcNAc(a1-4)GlcNAc(a1-4)GlcNAc(a1-4)GlcNAc

GlcNAc(a1-4)GlcNAc(a1-4)GlcNAc(a1-4)GlcNAc

C32H54N4O21 (830.3280394)


   

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose

C32H54N4O21 (830.3280394)


   

[(3Z,6S,7R,9R,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

[(3Z,6S,7R,9R,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

C43H58O16 (830.3724668)


   

[(3Z,6S,7R,9R,10S,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

[(3Z,6S,7R,9R,10S,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

C43H58O16 (830.3724668)


   

[(1S,3Z,6S,7R,9R,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

[(1S,3Z,6S,7R,9R,15R,16S,19S,20S)-18-acetyloxy-6-(furan-3-yl)-9,19,20-trimethoxy-3-(1-methoxy-2-methylpropylidene)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-8-yl] 2-methylpropanoate

C43H58O16 (830.3724668)


   
   

PIP(28:2)

PIP(16:0_12:2)

C37H68O16P2 (830.3982388000001)


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3-[(3s,9s,12s,15s,18s,21s,24s)-9,18-dibenzyl-11,14,17,20,23-pentahydroxy-21-(c-hydroxycarbonimidoylmethyl)-15-isopropyl-2,8-dioxo-1,7,10,13,16,19,22-heptaazatricyclo[22.3.0.0³,⁷]heptacosa-10,13,16,19,22-pentaen-12-yl]propanoic acid

3-[(3s,9s,12s,15s,18s,21s,24s)-9,18-dibenzyl-11,14,17,20,23-pentahydroxy-21-(c-hydroxycarbonimidoylmethyl)-15-isopropyl-2,8-dioxo-1,7,10,13,16,19,22-heptaazatricyclo[22.3.0.0³,⁷]heptacosa-10,13,16,19,22-pentaen-12-yl]propanoic acid

C42H54N8O10 (830.3962704)


   

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(3-hydroxy-4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanoic acid

3-[(1s,4r,7s,10s,13s,16s)-2,5,11,24-tetrahydroxy-10-[(3-hydroxy-4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2¹⁸,²¹.1²³,²⁷]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-7-yl]propanoic acid

C42H50N6O12 (830.348654)


   

2,5-bis({[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino})-n-[1-({1-[(1-hydroxy-2-oxopiperidin-3-yl)-c-hydroxycarbonimidoyl]-4-(c-hydroxycarbonimidoylamino)butyl}-c-hydroxycarbonimidoyl)-4-(c-hydroxycarbonimidoylamino)butyl]pentanimidic acid

2,5-bis({[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino})-n-[1-({1-[(1-hydroxy-2-oxopiperidin-3-yl)-c-hydroxycarbonimidoyl]-4-(c-hydroxycarbonimidoylamino)butyl}-c-hydroxycarbonimidoyl)-4-(c-hydroxycarbonimidoylamino)butyl]pentanimidic acid

C36H50N10O13 (830.355865)