Exact Mass: 846.4167

Exact Mass Matches: 846.4167

Found 84 metabolites which its exact mass value is equals to given mass value 846.4167, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Mycobutin

72559-06-9

C46H62N4O11 (846.4415)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D012294 - Rifamycins C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   

Sucrose acetate isobutyrate

[(2R,3R,4S,5S)-5-[(Acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-tris[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoic acid

C40H62O19 (846.3885)


Clouding agent, stabiliser and specific gravity control agent for beverages, especially fruit drinks Sucrose acetoisobutyrate (SAIB) is a emulsifier and has E Number E444. Clouding agent, stabiliser and specific gravity control agent for beverages, especies fruit drinks

   

Rifabutin

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4-piperidine]-1(31),2,4,9,19,21,23,25,29-nonaen-13-yl acetate

C46H62N4O11 (846.4415)


Rifabutin is only found in individuals that have used or taken this drug. It is a broad-spectrum antibiotic that is being used as prophylaxis against disseminated Mycobacterium avium complex infection in HIV-positive patients. [PubChem]Rifabutin acts via the inhibition of DNA-dependent RNA polymerase in gram-positive and some gram-negative bacteria, leading to a suppression of RNA synthesis and cell death.

   

PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

[(2S)-3-({[(2R)-2,3-bis[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C42H72O13P2 (846.4448)


PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the g-linolenic acid moiety is derived from animal fats. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PGPs have a net charge of -1 at physiological pH and are found in high concentration in mitochondrial membranes and as components of pulmonary surfactant. PGP also serves as a precursor for the synthesis of cardiolipin. PGP is synthesized from CDP-diacylglycerol and glycerol-3-phosphate. PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) belongs to the class of glycerophosphoglycerophosphates, also called phosphatidylglycerophosphates (PGPs). These lipids contain a common glycerophosphate skeleton linked to at least one fatty acyl chain and a glycero-3-phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)), in particular, consists of two 6Z,9Z,12Z-octadecatrienoyl chains at positions C-1 and C-2. In E. coli, PGPs can be found in the cytoplasmic membrane. The are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to Phosphatidylglycerols (PGs) by the enzyme Phosphatidylglycerophosphatase.

   

PGP(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C42H72O13P2 (846.4448)


PGP(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of a-linolenic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PGPs have a net charge of -1 at physiological pH and are found in high concentration in mitochondrial membranes and as components of pulmonary surfactant. PGP also serves as a precursor for the synthesis of cardiolipin. PGP is synthesized from CDP-diacylglycerol and glycerol-3-phosphate. PGP(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z)), in particular, consists of one chain of g-linolenic acid at the C-1 position and one chain of a-linolenic acid at the C-2 position. The g-linolenic acid moiety is derived from animal fats, while the a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases.

   

PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z))

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C42H72O13P2 (846.4448)


PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of a-linolenic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil, while the g-linolenic acid moiety is derived from animal fats. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PGPs have a net charge of -1 at physiological pH and are found in high concentration in mitochondrial membranes and as components of pulmonary surfactant. PGP also serves as a precursor for the synthesis of cardiolipin. PGP is synthesized from CDP-diacylglycerol and glycerol-3-phosphate. PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)), in particular, consists of one chain of a-linolenic acid at the C-1 position and one chain of g-linolenic acid at the C-2 position. The a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil, while the g-linolenic acid moiety is derived from animal fats. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases.

   

PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))

[(2S)-3-({[(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C42H72O13P2 (846.4448)


PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)), in particular, consists of one chain of a-linolenic acid at the C-1 position and one chain of a-linolenic acid at the C-2 position. The a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil, while the a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PGPs have a net charge of -1 at physiological pH and are found in high concentration in mitochondrial membranes and as components of pulmonary surfactant. PGP also serves as a precursor for the synthesis of cardiolipin. PGP is synthesized from CDP-diacylglycerol and glycerol-3-phosphate. PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) is a phosphatidylglycerolphosphate or glycerophospholipid (PGP or GP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)), in particular, consists of one chain of a-linolenic acid at the C-1 position and one chain of a-linolenic acid at the C-2 position. The a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil, while the a-linolenic acid moiety is derived from seed oils, especially canola and soybean oil. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant at up to 11\\% of the total. It is well established that the concentration of Phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for diphosphatidylglycerol (cardiolipin). Phosphatidylglycerol is formed from phosphatidic acid by a sequence of enzymatic reactions that proceeds via the intermediate, cytidine diphosphate diacylglycerol (CDP-diacylglycerol). Bioynthesis proceeds by condensation of phosphatidic acid and cytidine triphosphate with elimination of pyrophosphate via the action of phosphatidate cytidyltransferase (or CDP-synthase). CDP-diacylglycerol then reacts with glycerol-3-phosphate via phosphatidylglycerophosphate synthase to form 3-sn-phosphatidyl-1-sn-glycerol 3-phosphoric acid, with the release of cytidine monophosphate (CMP). Finally, phosphatidylglycerol is formed by the action of specific phosphatases.

   

PGP(a-15:0/18:1(12Z)-2OH(9,10))

[(2S)-3-({[(2R)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-3-[(12-methyltetradecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C39H76O15P2 (846.4659)


PGP(a-15:0/18:1(12Z)-2OH(9,10)) 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-15:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one 12-methyltetradecanoyl 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 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(18:1(12Z)-2OH(9,10)/a-15:0)

[(2S)-3-({[(2R)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-2-[(12-methyltetradecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C39H76O15P2 (846.4659)


PGP(18:1(12Z)-2OH(9,10)/a-15:0) 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(18:1(12Z)-2OH(9,10)/a-15:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of 12-methyltetradecanoyl 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-12:0/PGF1alpha)

[(2S)-3-({[(2R)-2-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-3-[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C38H72O16P2 (846.4295)


PGP(i-12:0/PGF1alpha) 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-12:0/PGF1alpha), in particular, consists of one chain of one 10-methylundecanoyl 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 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(PGF1alpha/i-12:0)

[(2S)-3-({[(2R)-3-({7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]heptanoyl}oxy)-2-[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C38H72O16P2 (846.4295)


PGP(PGF1alpha/i-12:0) 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(PGF1alpha/i-12:0), in particular, consists of one chain of one Prostaglandin F1alpha 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 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-15:0/18:1(12Z)-2OH(9,10))

[(2S)-3-({[(2R)-2-{[(9S,10S,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-3-[(13-methyltetradecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C39H76O15P2 (846.4659)


PGP(i-15:0/18:1(12Z)-2OH(9,10)) 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-15:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one 13-methyltetradecanoyl 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 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(18:1(12Z)-2OH(9,10)/i-15:0)

[(2S)-3-({[(2R)-3-{[(9R,10R,12Z)-9,10-dihydroxyoctadec-12-enoyl]oxy}-2-[(13-methyltetradecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid

C39H76O15P2 (846.4659)


PGP(18:1(12Z)-2OH(9,10)/i-15:0) 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(18:1(12Z)-2OH(9,10)/i-15:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of 13-methyltetradecanoyl 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).

   
   
   

zygoeichwaloside H

zygoeichwaloside H

C41H66O16S (846.4071)


   

beta-Dihydro-entandrophragmin

beta-Dihydro-entandrophragmin

C43H58O17 (846.3674)


   

3beta-(2-O-sulfo-alpha-L-arabinopyranosyl)-27-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

3beta-(2-O-sulfo-alpha-L-arabinopyranosyl)-27-dihydroxyurs-12-en-28-oic acid 28-O-beta-D-glucopyranoside

C41H66O16S (846.4071)


   

3-O-[alpha-L-arabinofuranosyl(1->3)]-6-O-sulfonyl-beta-D-glucopyranosyl pseudojujubogenin|bacopaside-XI

3-O-[alpha-L-arabinofuranosyl(1->3)]-6-O-sulfonyl-beta-D-glucopyranosyl pseudojujubogenin|bacopaside-XI

C41H66O16S (846.4071)


   

20S,25-epoxy-3beta,23beta,24beta,29-tetrahydroxydammaran-21-oic acid 3-O-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside|gentirigeoside B

20S,25-epoxy-3beta,23beta,24beta,29-tetrahydroxydammaran-21-oic acid 3-O-beta-D-glucopyranosyl(1->2)-beta-D-glucopyranoside|gentirigeoside B

C42H70O17 (846.4613)


   

20S,25-epoxy-3beta,23beta,24beta,29-tetrahydroxydammaran-21-oic acid 3-O-beta-D-glucopyranosyl-29-O-beta-D-glucopyranoside|gentirigeoside C

20S,25-epoxy-3beta,23beta,24beta,29-tetrahydroxydammaran-21-oic acid 3-O-beta-D-glucopyranosyl-29-O-beta-D-glucopyranoside|gentirigeoside C

C42H70O17 (846.4613)


   

Helicokinin II

Helicokinin II

C41H58N12O8 (846.45)


   

Ala-Hyp-Ala-Asn-Ser-D-Val-Trp-Ser

Ala-Hyp-Ala-Asn-Ser-D-Val-Trp-Ser

C37H54N10O13 (846.3872)


   

2alpha,3beta,16beta-trihydroxy-5alpha-pregn-20(21)-ene-carboxylic acid gamma-lactone 3-O-{O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside}

2alpha,3beta,16beta-trihydroxy-5alpha-pregn-20(21)-ene-carboxylic acid gamma-lactone 3-O-{O-beta-D-glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside}

C40H62O19 (846.3885)


   
   

Rifabutin

Rifabutin (Mycobutin)

C46H62N4O11 (846.4415)


C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent

   

SAIB 100S

[(2R,3R,4S,5S)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-tris[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate

C40H62O19 (846.3885)


   

p-hydroxybenzoic acid, compound with p,p-[hexane-1,6-diylbis(oxy)]bis(benzamidine) (2:1)

p-hydroxybenzoic acid, compound with p,p-[hexane-1,6-diylbis(oxy)]bis(benzamidine) (2:1)

C47H58N8O7 (846.4428)


   

Monopotassium glycyrrhizinate

Monopotassium glycyrrhizinate

C42H63KO15 (846.3804)


   

AC-SER-GLN-ASN-TYR-PRO-VAL-VAL-NH2

AC-SER-GLN-ASN-TYR-PRO-VAL-VAL-NH2

C38H58N10O12 (846.4235)


   

Sucrose diacetate hexaisobutyrate

Sucrose diacetate hexaisobutyrate

C40H62O19 (846.3885)


   

(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate

(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23,32-trioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1^{4,7}.0^{5,31}.0^{26,30}]tritriacontane-28,4-piperidin]-1,3,5(31),9,19,21,25,29-octaen-13-yl acetate

C46H62N4O11 (846.4415)


   

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-15,17,32-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4-piperidin-1-ium]-2-olate

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-15,17,32-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4-piperidin-1-ium]-2-olate

C46H62N4O11 (846.4415)


   

Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2,3:7,8]naphth[1,2-d]imidazole-2,4-piperidine]-5,10,26(3H,9H)-trione,16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1-(2-methylpropyl)-,[9S-(9R*,12E,14R*,15S*,16R*,17S*,18S*,19S*,20R*,21R*,22E,24Z)]-

Spiro[9,4-(epoxypentadeca[1,11,13]trienimino)-2H-furo[2,3:7,8]naphth[1,2-d]imidazole-2,4-piperidine]-5,10,26(3H,9H)-trione,16-(acetyloxy)-6,18,20-trihydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1-(2-methylpropyl)-,[9S-(9R*,12E,14R*,15S*,16R*,17S*,18S*,19S*,20R*,21R*,22E,24Z)]-

C46H62N4O11 (846.4415)


   

PGP(i-12:0/PGF1alpha)

PGP(i-12:0/PGF1alpha)

C38H72O16P2 (846.4295)


   

PGP(PGF1alpha/i-12:0)

PGP(PGF1alpha/i-12:0)

C38H72O16P2 (846.4295)


   

PGP(a-15:0/18:1(12Z)-2OH(9,10))

PGP(a-15:0/18:1(12Z)-2OH(9,10))

C39H76O15P2 (846.4659)


   

PGP(18:1(12Z)-2OH(9,10)/a-15:0)

PGP(18:1(12Z)-2OH(9,10)/a-15:0)

C39H76O15P2 (846.4659)


   

PGP(i-15:0/18:1(12Z)-2OH(9,10))

PGP(i-15:0/18:1(12Z)-2OH(9,10))

C39H76O15P2 (846.4659)


   

PGP(18:1(12Z)-2OH(9,10)/i-15:0)

PGP(18:1(12Z)-2OH(9,10)/i-15:0)

C39H76O15P2 (846.4659)


   

[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-1-butan-2-yl-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4-piperidine]-13-yl] acetate

[(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-1-butan-2-yl-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4-piperidine]-13-yl] acetate

C46H62N4O11 (846.4415)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (Z)-hexadec-7-enoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-(2-hydroxy-3-tetradecanoyloxypropoxy)phosphoryl]oxypropoxy]phosphoryl]oxypropyl] (Z)-hexadec-7-enoate

C39H76O15P2 (846.4659)


   

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] hexadecanoate

[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxypropoxy]phosphoryl]oxypropyl] hexadecanoate

C39H76O15P2 (846.4659)


   

[(7R,9E,11S,12R,13S,14R,15R,16S,17S,18R,19E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4-piperidine]-13-yl] acetate

[(7R,9E,11S,12R,13S,14R,15R,16S,17S,18R,19E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(32),2,4,9,19,21,24,26,30-nonaene-28,4-piperidine]-13-yl] acetate

C46H62N4O11 (846.4415)


   

[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropyl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C45H67O13P (846.4319)


   

[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4-piperidine]-13-yl] acetate

[(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21E)-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1-(2-methylpropyl)-6,23-dioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26,29-nonaene-28,4-piperidine]-13-yl] acetate

C46H62N4O11 (846.4415)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate

C45H67O13P (846.4319)


   

[(2S,3S,6S)-6-[3-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C46H70O12S (846.4588)


   

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoate

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[hydroxy-[(5S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoate

C45H67O13P (846.4319)


   

[(2S,3S,6S)-6-[3-[(9E,11E,13E,15E)-henicosa-9,11,13,15-tetraenoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-[(9E,11E,13E,15E)-henicosa-9,11,13,15-tetraenoyl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C46H70O12S (846.4588)


   

Sucrose, diacetate hexaisobutyrate

Sucrose, diacetate hexaisobutyrate

C40H62O19 (846.3885)


   

PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

C42H72O13P2 (846.4448)


   

PIP(29:1)

PIP(20:1_9:0)

C38H72O16P2 (846.4295)


Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved

   
   
   
   
   
   

PI 20:1/13:4;O2

PI 20:1/13:4;O2

C42H71O15P (846.453)


   

PI 20:2/13:3;O2

PI 20:2/13:3;O2

C42H71O15P (846.453)


   

PI 20:3/12:3;O3

PI 20:3/12:3;O3

C41H67O16P (846.4167)


   

PI 20:4/12:2;O3

PI 20:4/12:2;O3

C41H67O16P (846.4167)


   
   
   
   

(2s,4s,5s)-2-[(1s,3ar,3br,5ar,6s,7s,9ar,9br,11ar)-7-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

(2s,4s,5s)-2-[(1s,3ar,3br,5ar,6s,7s,9ar,9br,11ar)-7-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

C42H70O17 (846.4613)


   

[(2r,3r,4s,5r,6r)-4-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl]methoxysulfonic acid

[(2r,3r,4s,5r,6r)-4-{[(2s,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl]methoxysulfonic acid

C41H66O16S (846.4071)


   

2,3-dihydroxy-23,24,25,26,27-pentanorcholest-20-en-22,16-olide; (2α,3β,16β)-form,3-o-[beta-d-glucopyranosyl-(1→2)-beta-d-glucopyranosyl-(1→4)-beta-d-galactopyranoside]

NA

C40H62O19 (846.3885)


{"Ingredient_id": "HBIN004040","Ingredient_name": "2,3-dihydroxy-23,24,25,26,27-pentanorcholest-20-en-22,16-olide; (2\u03b1,3\u03b2,16\u03b2)-form,3-o-[beta-d-glucopyranosyl-(1\u21922)-beta-d-glucopyranosyl-(1\u21924)-beta-d-galactopyranoside]","Alias": "NA","Ingredient_formula": "C40H62O19","Ingredient_Smile": "NA","Ingredient_weight": "846.91","OB_score": "NA","CAS_id": "186901-40-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8940","PubChem_id": "NA","DrugBank_id": "NA"}

   

bacopaside iii

NA

C41H66O16S (846.4071)


{"Ingredient_id": "HBIN017496","Ingredient_name": "bacopaside iii","Alias": "NA","Ingredient_formula": "C41H66O16S","Ingredient_Smile": "CC(=CC1COC23CC4(CO2)C(C3C1(C)O)CCC5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)COS(=O)(=O)O)O)O)O)O)C)C)C","Ingredient_weight": "847 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2088","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15922618","DrugBank_id": "NA"}

   

(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidine]-1,3,5(31),9,19,21,23,25,29-nonaen-13-yl acetate

(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21z)-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidine]-1,3,5(31),9,19,21,23,25,29-nonaen-13-yl acetate

C46H62N4O11 (846.4415)


   

(2s,4s,5s)-2-[(1s,3ar,3br,5ar,6s,7s,9ar,9br,11ar)-3a,3b,6,9a-tetramethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

(2s,4s,5s)-2-[(1s,3ar,3br,5ar,6s,7s,9ar,9br,11ar)-3a,3b,6,9a-tetramethyl-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

C42H70O17 (846.4613)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s)-3,5-dihydroxy-2-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s)-3,5-dihydroxy-2-{[(1s,2r,5r,7s,10r,11r,14r,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

C41H66O16S (846.4071)


   

3-({4-[(2-amino-1,3-dihydroxybutylidene)amino]-2-[(1,3-dihydroxy-2-{[1-hydroxy-5-(c-hydroxycarbonimidoylamino)-2-{[(2z)-1-hydroxydec-2-en-1-ylidene]amino}pentylidene]amino}propylidene)amino]-1-hydroxybutylidene}amino)-2-hydroxy-3-{[1-hydroxy-3-(c-hydroxycarbonimidoyl)propan-2-yl]-c-hydroxycarbonimidoyl}propanoic acid

3-({4-[(2-amino-1,3-dihydroxybutylidene)amino]-2-[(1,3-dihydroxy-2-{[1-hydroxy-5-(c-hydroxycarbonimidoylamino)-2-{[(2z)-1-hydroxydec-2-en-1-ylidene]amino}pentylidene]amino}propylidene)amino]-1-hydroxybutylidene}amino)-2-hydroxy-3-{[1-hydroxy-3-(c-hydroxycarbonimidoyl)propan-2-yl]-c-hydroxycarbonimidoyl}propanoic acid

C35H62N10O14 (846.4447)


   

(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl)methoxysulfonic acid

(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-2-yl)methoxysulfonic acid

C41H66O16S (846.4071)


   

(1r,2s,4s,8s,9s,12s,13s,15r,16r,18s)-16-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-hydroxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one

(1r,2s,4s,8s,9s,12s,13s,15r,16r,18s)-16-{[(2r,3r,4r,5r,6r)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-hydroxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one

C40H62O19 (846.3885)


   

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s)-3,5-dihydroxy-2-{[(1s,2r,5r,7s,10r,11r,14s,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

[(2r,3s,4s,5r,6s)-6-{[(2s,3r,4s,5s)-3,5-dihydroxy-2-{[(1s,2r,5r,7s,10r,11r,14s,15s,16s,17r,20r)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid

C41H66O16S (846.4071)


   

2-(3a,3b,6,9a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

2-(3a,3b,6,9a-tetramethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

C42H70O17 (846.4613)


   

{6-[(3,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxysulfonic acid

{6-[(3,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}oxan-4-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxysulfonic acid

C41H66O16S (846.4071)


   

(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21e)-1'-[(2r)-butan-2-yl]-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidine]-1,3,5(31),9,19,21,23,25,29-nonaen-13-yl acetate

(7s,9e,11s,12r,13s,14r,15r,16r,17s,18s,19e,21e)-1'-[(2r)-butan-2-yl]-2,15,17,23-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,32-dioxo-8,33-dioxa-24,27,29-triazaspiro[pentacyclo[23.6.1.1⁴,⁷.0⁵,³¹.0²⁶,³⁰]tritriacontane-28,4'-piperidine]-1,3,5(31),9,19,21,23,25,29-nonaen-13-yl acetate

C46H62N4O11 (846.4415)


   

2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)-3a,3b,6,9a-tetramethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl)-4,5-dihydroxy-6,6-dimethyloxane-2-carboxylic acid

C42H70O17 (846.4613)


   

[(3r,4r,5r,6s)-6-{[(1s,2s,5r,6s,9s,10s,13s,16s,18r)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-16-yl]oxy}-4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid

[(3r,4r,5r,6s)-6-{[(1s,2s,5r,6s,9s,10s,13s,16s,18r)-5,10-dihydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-8-oxo-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-16-yl]oxy}-4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]oxidanesulfonic acid

C41H66O16S (846.4071)


   

(2s,3r)-3-{[(2r)-4-{[(2r,3s)-2-amino-1,3-dihydroxybutylidene]amino}-2-{[(2r)-1,3-dihydroxy-2-{[(2r)-1-hydroxy-5-(c-hydroxycarbonimidoylamino)-2-{[(2e)-1-hydroxydec-2-en-1-ylidene]amino}pentylidene]amino}propylidene]amino}-1-hydroxybutylidene]amino}-2-hydroxy-3-{[(2r)-1-hydroxy-3-(c-hydroxycarbonimidoyl)propan-2-yl]-c-hydroxycarbonimidoyl}propanoic acid

(2s,3r)-3-{[(2r)-4-{[(2r,3s)-2-amino-1,3-dihydroxybutylidene]amino}-2-{[(2r)-1,3-dihydroxy-2-{[(2r)-1-hydroxy-5-(c-hydroxycarbonimidoylamino)-2-{[(2e)-1-hydroxydec-2-en-1-ylidene]amino}pentylidene]amino}propylidene]amino}-1-hydroxybutylidene]amino}-2-hydroxy-3-{[(2r)-1-hydroxy-3-(c-hydroxycarbonimidoyl)propan-2-yl]-c-hydroxycarbonimidoyl}propanoic acid

C35H62N10O14 (846.4447)


   

16-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-15-hydroxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one

16-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-15-hydroxy-9,13-dimethyl-7-methylidene-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-6-one

C40H62O19 (846.3885)


   

3-({4-[(2-amino-1,3-dihydroxybutylidene)amino]-2-[(1,3-dihydroxy-2-{[1-hydroxy-5-(c-hydroxycarbonimidoylamino)-2-[(1-hydroxydec-2-en-1-ylidene)amino]pentylidene]amino}propylidene)amino]-1-hydroxybutylidene}amino)-2-hydroxy-3-{[1-hydroxy-3-(c-hydroxycarbonimidoyl)propan-2-yl]-c-hydroxycarbonimidoyl}propanoic acid

3-({4-[(2-amino-1,3-dihydroxybutylidene)amino]-2-[(1,3-dihydroxy-2-{[1-hydroxy-5-(c-hydroxycarbonimidoylamino)-2-[(1-hydroxydec-2-en-1-ylidene)amino]pentylidene]amino}propylidene)amino]-1-hydroxybutylidene}amino)-2-hydroxy-3-{[1-hydroxy-3-(c-hydroxycarbonimidoyl)propan-2-yl]-c-hydroxycarbonimidoyl}propanoic acid

C35H62N10O14 (846.4447)