Exact Mass: 818.5755

Exact Mass Matches: 818.5755

Found 95 metabolites which its exact mass value is equals to given mass value 818.5755, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

alpha,alpha-Trehalose 6-mycolate

6-O-[3-hydroxy-2-tetradecyloctadec-11E-enoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside

C44H82O13 (818.5755)


A trehalose monomycolate comprising alpha,alpha-trehalose having the mycolate group attached to the 6-position.

   

Staphyloxanthin

2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-beta-D-glucopyranose

C51H78O8 (818.5696)


A xanthophyll that is beta-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bacterium Staphylococcus aureus its name. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids

   

Staphyloxanthin

3,4,5-Trihydroxy-6-{[(12-methyltetradecanoyl)oxy]methyl}oxan-2-yl 2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoic acid

C51H78O8 (818.5696)


   

PA(21:0/PGF1alpha)

[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-(henicosanoyloxy)propoxy]phosphonic acid

C44H83O11P (818.5673)


PA(21:0/PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(21:0/PGF1alpha), in particular, consists of one chain of one heneicosanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(PGF1alpha/21:0)

[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-(henicosanoyloxy)propoxy]phosphonic acid

C44H83O11P (818.5673)


PA(PGF1alpha/21:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(PGF1alpha/21:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of heneicosanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(a-21:0/PGF1alpha)

[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-[(18-methylicosanoyl)oxy]propoxy]phosphonic acid

C44H83O11P (818.5673)


PA(a-21:0/PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(a-21:0/PGF1alpha), in particular, consists of one chain of one 18-methyleicosanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(PGF1alpha/a-21:0)

[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-[(18-methylicosanoyl)oxy]propoxy]phosphonic acid

C44H83O11P (818.5673)


PA(PGF1alpha/a-21:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(PGF1alpha/a-21:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of 18-methyleicosanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(i-21:0/PGF1alpha)

[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-[(19-methylicosanoyl)oxy]propoxy]phosphonic acid

C44H83O11P (818.5673)


PA(i-21:0/PGF1alpha) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(i-21:0/PGF1alpha), in particular, consists of one chain of one 19-methyleicosanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PA(PGF1alpha/i-21:0)

[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-[(19-methylicosanoyl)oxy]propoxy]phosphonic acid

C44H83O11P (818.5673)


PA(PGF1alpha/i-21:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids 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, phosphatidic acids 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. PA(PGF1alpha/i-21:0), in particular, consists of one chain of one Prostaglandin F1alpha at the C-1 position and one chain of 19-methyleicosanoyl 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 PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs 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 PA backbone, mainly through the action of LOX (PMID: 33329396).

   

PG(i-20:0/18:1(12Z)-O(9S,10R))

[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(18-methylnonadecanoyl)oxy]-2-[(8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoyl)oxy]propoxy]phosphinic acid

C44H83O11P (818.5673)


PG(i-20:0/18:1(12Z)-O(9S,10R)) 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(i-20:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one 18-methylnonadecanoyl at the C-1 position and one chain of 9,10-epoxy-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 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(18:1(12Z)-O(9S,10R)/i-20:0)

[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(18-methylnonadecanoyl)oxy]-3-[(8-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}octanoyl)oxy]propoxy]phosphinic acid

C44H83O11P (818.5673)


PG(18:1(12Z)-O(9S,10R)/i-20:0) 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(18:1(12Z)-O(9S,10R)/i-20:0), in particular, consists of one chain of one 9,10-epoxy-octadecenoyl at the C-1 position and one chain of 18-methylnonadecanoyl 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(i-20:0/18:1(9Z)-O(12,13))

[(2S)-2,3-dihydroxypropoxy][(2R)-3-[(18-methylnonadecanoyl)oxy]-2-{[(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy}propoxy]phosphinic acid

C44H83O11P (818.5673)


PG(i-20:0/18:1(9Z)-O(12,13)) 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(i-20:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one 18-methylnonadecanoyl at the C-1 position and one chain of 12,13-epoxy-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 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(18:1(9Z)-O(12,13)/i-20:0)

[(2S)-2,3-dihydroxypropoxy][(2R)-2-[(18-methylnonadecanoyl)oxy]-3-{[(9Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxy}propoxy]phosphinic acid

C44H83O11P (818.5673)


PG(18:1(9Z)-O(12,13)/i-20:0) 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(18:1(9Z)-O(12,13)/i-20:0), in particular, consists of one chain of one 12,13-epoxy-octadecenoyl at the C-1 position and one chain of 18-methylnonadecanoyl 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).

   

SM(d18:0/6 keto-PGF1alpha)

(2-{[(2S,3R)-2-{7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]-6-oxoheptanamido}-3-hydroxyoctadecyl phosphono]oxy}ethyl)trimethylazanium

C43H83N2O10P (818.5785)


SM(d18:0/6 keto-PGF1alpha) is a type of oxidized sphingolipid found in animal cell membranes. It usually consists of phosphorylcholine and ceramide. SM(d18:0/6 keto-PGF1alpha) consists of a sphingosine backbone and a 6-Keto-prostaglandin F1alpha chain. In humans, sphingomyelin is the only membrane phospholipid not derived from glycerol. Like all sphingolipids, SM has a ceramide core (sphingosine bonded to a fatty acid via an amide linkage). In addition, it contains one polar head group, which is either phosphocholine or phosphoethanolamine. The plasma membrane of cells is highly enriched in sphingomyelin and is considered largely to be found in the exoplasmic leaflet of the cell membrane. However, there is some evidence that there may also be a sphingomyelin pool in the inner leaflet of the membrane. Moreover, neutral sphingomyelinase-2, an enzyme that breaks down sphingomyelin into ceramide, has been found to localize exclusively to the inner leaflet further suggesting that there may be sphingomyelin present there. Sphingomyelin can accumulate in a rare hereditary disease called Niemann-Pick Disease, types A and B. Niemann-Pick disease is a genetically-inherited disease caused by a deficiency in the enzyme sphingomyelinase, which causes the accumulation of sphingomyelin in spleen, liver, lungs, bone marrow, and the brain, causing irreversible neurological damage. SMs play a role in signal transduction. Sphingomyelins are synthesized by the transfer of phosphorylcholine from phosphatidylcholine to a ceramide in a reaction catalyzed by sphingomyelin synthase.

   

SM(d18:0/TXB2)

(2-{[(2S,3R)-2-[(5Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enamido]-3-hydroxyoctadecyl phosphono]oxy}ethyl)trimethylazanium

C43H83N2O10P (818.5785)


SM(d18:0/TXB2) is a type of oxidized sphingolipid found in animal cell membranes. It usually consists of phosphorylcholine and ceramide. SM(d18:0/TXB2) consists of a sphingosine backbone and a Thromboxane B2 chain. In humans, sphingomyelin is the only membrane phospholipid not derived from glycerol. Like all sphingolipids, SM has a ceramide core (sphingosine bonded to a fatty acid via an amide linkage). In addition, it contains one polar head group, which is either phosphocholine or phosphoethanolamine. The plasma membrane of cells is highly enriched in sphingomyelin and is considered largely to be found in the exoplasmic leaflet of the cell membrane. However, there is some evidence that there may also be a sphingomyelin pool in the inner leaflet of the membrane. Moreover, neutral sphingomyelinase-2, an enzyme that breaks down sphingomyelin into ceramide, has been found to localize exclusively to the inner leaflet further suggesting that there may be sphingomyelin present there. Sphingomyelin can accumulate in a rare hereditary disease called Niemann-Pick Disease, types A and B. Niemann-Pick disease is a genetically-inherited disease caused by a deficiency in the enzyme sphingomyelinase, which causes the accumulation of sphingomyelin in spleen, liver, lungs, bone marrow, and the brain, causing irreversible neurological damage. SMs play a role in signal transduction. Sphingomyelins are synthesized by the transfer of phosphorylcholine from phosphatidylcholine to a ceramide in a reaction catalyzed by sphingomyelin synthase.

   

6-(2-Tetradecyl-3-ketooctadecanoyl)-alpha-D-trehalose

6-(2-Tetradecyl-3-ketooctadecanoyl)-alpha-D-trehalose

C44H82O13 (818.5755)


   

wiksphyllamin B

wiksphyllamin B

C51H78O8 (818.5696)


   

SCHEMBL10015148

SCHEMBL10015148

C51H78O8 (818.5696)


   

FA 44:3;O11

6-O-[3-hydroxy-2-tetradecyloctadec-11E-enoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside

C44H82O13 (818.5755)


   

Maradolipid

6-O-(13-methyl-tetradecanoyl)-6-O-(15-methyl-hexadecanoyl)-alpha,alpha-trehalose

C44H82O13 (818.5755)


   
   

PA(21:0/PGF1alpha)

PA(21:0/PGF1alpha)

C44H83O11P (818.5673)


   

PA(PGF1alpha/21:0)

PA(PGF1alpha/21:0)

C44H83O11P (818.5673)


   

PA(a-21:0/PGF1alpha)

PA(a-21:0/PGF1alpha)

C44H83O11P (818.5673)


   

PA(PGF1alpha/a-21:0)

PA(PGF1alpha/a-21:0)

C44H83O11P (818.5673)


   

PA(i-21:0/PGF1alpha)

PA(i-21:0/PGF1alpha)

C44H83O11P (818.5673)


   

PA(PGF1alpha/i-21:0)

PA(PGF1alpha/i-21:0)

C44H83O11P (818.5673)


   

PG(i-20:0/18:1(12Z)-O(9S,10R))

PG(i-20:0/18:1(12Z)-O(9S,10R))

C44H83O11P (818.5673)


   

PG(18:1(12Z)-O(9S,10R)/i-20:0)

PG(18:1(12Z)-O(9S,10R)/i-20:0)

C44H83O11P (818.5673)


   

PG(i-20:0/18:1(9Z)-O(12,13))

PG(i-20:0/18:1(9Z)-O(12,13))

C44H83O11P (818.5673)


   

PG(18:1(9Z)-O(12,13)/i-20:0)

PG(18:1(9Z)-O(12,13)/i-20:0)

C44H83O11P (818.5673)


   
   

SM(d18:0/6 keto-PGF1alpha)

SM(d18:0/6 keto-PGF1alpha)

C43H83N2O10P (818.5785)


   

[3,4,5-trihydroxy-6-(12-methyltetradecanoyloxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate

[3,4,5-trihydroxy-6-(12-methyltetradecanoyloxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate

C51H78O8 (818.5696)


   

2,3-Dipalmitoyl-alpha,alpha-trehalose

2,3-Dipalmitoyl-alpha,alpha-trehalose

C44H82O13 (818.5755)


A polyacyl alpha,alpha-trehalose carrying two palmitoyl (hexadecanoyl) substituents that are located at positions 2 and 3.

   

alpha,alpha-Trehalose 6,6-dipalmitate

alpha,alpha-Trehalose 6,6-dipalmitate

C44H82O13 (818.5755)


   

NAGlySer 26:7/19:2

NAGlySer 26:7/19:2

C50H78N2O7 (818.5809)


   

PMeOH 18:2_26:4

PMeOH 18:2_26:4

C48H83O8P (818.5825)


   

PMeOH 26:2_18:4

PMeOH 26:2_18:4

C48H83O8P (818.5825)


   

PEtOH 19:2_24:4

PEtOH 19:2_24:4

C48H83O8P (818.5825)


   

PMeOH 24:1_20:5

PMeOH 24:1_20:5

C48H83O8P (818.5825)


   

PMeOH 22:2_22:4

PMeOH 22:2_22:4

C48H83O8P (818.5825)


   

PEtOH 21:1_22:5

PEtOH 21:1_22:5

C48H83O8P (818.5825)


   

PMeOH 22:3_22:3

PMeOH 22:3_22:3

C48H83O8P (818.5825)


   

PMeOH 24:2_20:4

PMeOH 24:2_20:4

C48H83O8P (818.5825)


   

PMeOH 22:1_22:5

PMeOH 22:1_22:5

C48H83O8P (818.5825)


   

PMeOH 20:2_24:4

PMeOH 20:2_24:4

C48H83O8P (818.5825)


   

PEtOH 21:0_22:6

PEtOH 21:0_22:6

C48H83O8P (818.5825)


   

PEtOH 17:2_26:4

PEtOH 17:2_26:4

C48H83O8P (818.5825)


   

PMeOH 22:0_22:6

PMeOH 22:0_22:6

C48H83O8P (818.5825)


   

PMeOH 26:1_18:5

PMeOH 26:1_18:5

C48H83O8P (818.5825)


   

PEtOH 21:2_22:4

PEtOH 21:2_22:4

C48H83O8P (818.5825)


   

[1-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

[1-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

C48H83O8P (818.5825)


   

[1-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-3-phosphonooxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

[1-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-3-phosphonooxypropan-2-yl] (12Z,15Z,18Z,21Z)-tetracosa-12,15,18,21-tetraenoate

C48H83O8P (818.5825)


   

[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropyl] tricosanoate

[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropyl] tricosanoate

C48H83O8P (818.5825)


   

[1-dodecanoyloxy-3-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate

[1-dodecanoyloxy-3-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate

C44H83O11P (818.5673)


   

[2-dodecanoyloxy-3-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate

[2-dodecanoyloxy-3-[(2-dodecanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxypropyl] (Z)-tetradec-9-enoate

C44H83O11P (818.5673)


   

2-[[(2S)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(E)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2S)-3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(E)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(E)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[(2S)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2S)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy-2-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[3-hexadecanoyloxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-tricosa-4,7,10,13,16,19,22-heptaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[3-hexadecanoyloxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-tricosa-4,7,10,13,16,19,22-heptaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2R)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(11E,14E,17E,20E)-tricosa-11,14,17,20-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-[(11E,14E,17E,20E)-tricosa-11,14,17,20-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(14E,16E)-tricosa-14,16-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(14E,16E)-tricosa-14,16-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

[(2R)-1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropan-2-yl] tricosanoate

[(2R)-1-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropan-2-yl] tricosanoate

C48H83O8P (818.5825)


   

2-[[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(8E,11E,14E,17E,20E)-tricosa-8,11,14,17,20-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-3-[(8E,11E,14E,17E,20E)-tricosa-8,11,14,17,20-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[(2S)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[(2S)-3-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(9E,12E)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropyl] tricosanoate

[(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-phosphonooxypropyl] tricosanoate

C48H83O8P (818.5825)


   

2-[[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-heptadec-4-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-heptadec-4-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(14E,17E,20E)-tricosa-14,17,20-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(14E,17E,20E)-tricosa-14,17,20-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[3-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[3-[(11Z,14Z)-henicosa-11,14-dienoyl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[hydroxy-[3-[(Z)-pentadec-9-enoyl]oxy-2-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-[(Z)-pentadec-9-enoyl]oxy-2-[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoyl]oxy-3-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoyl]oxy-3-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[hydroxy-[2-[(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoyl]oxy-3-undecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[2-[(7Z,10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-7,10,13,16,19,22,25-heptaenoyl]oxy-3-undecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[hydroxy-[3-nonanoyloxy-2-[(9Z,12Z,15Z,18Z,21Z,24Z,27Z)-triaconta-9,12,15,18,21,24,27-heptaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

2-[hydroxy-[3-nonanoyloxy-2-[(9Z,12Z,15Z,18Z,21Z,24Z,27Z)-triaconta-9,12,15,18,21,24,27-heptaenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   

2-[[2-[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]oxy-3-[(Z)-tridec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[[2-[(8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-8,11,14,17,20,23-hexaenoyl]oxy-3-[(Z)-tridec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

C47H81NO8P+ (818.5699)


   
   
   
   
   

PG O-18:0/20:3;O2

PG O-18:0/20:3;O2

C44H83O11P (818.5673)


   
   

PG P-20:0/18:2;O2

PG P-20:0/18:2;O2

C44H83O11P (818.5673)


   

PG P-20:1/18:1;O2

PG P-20:1/18:1;O2

C44H83O11P (818.5673)


   
   
   
   
   
   
   

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-{[(12-methyltetradecanoyl)oxy]methyl}oxan-2-yl (2e,4e,6e,8e,10e,12e,14e,16e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-{[(12-methyltetradecanoyl)oxy]methyl}oxan-2-yl (2e,4e,6e,8e,10e,12e,14e,16e,18e)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate

C51H78O8 (818.5696)