Exact Mass: 426.3028
Exact Mass Matches: 426.3028
Found 500 metabolites which its exact mass value is equals to given mass value 426.3028,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Leupeptin
A tripeptide composed of N-acetylleucyl, leucyl and argininal residues joined in sequenceby peptide linkages. It is an inhibitor of the calpains, a family of calcium-activated proteases which promote cell death. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D007976 - Leupeptins Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID L006; [MS2] KO009038 KEIO_ID L006
Prostaglandin PGE2 1-glyceryl ester
2-Arachidonoyl glycerol (2-AG) has been isolated from porcine brain,1 and has been characterized as the natural endocannabinoid ligand for the CB1 receptor.2 Incubation of 2-AG with COX-2 and specific prostaglandin H2 (PGH2) isomerases in cell cultures and isolated enzyme preparations results in prostaglandin glycerol ester formation.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. The 2-glyceryl ester moiety equilibrates rapidly (within minutes) with the more stable 1-glyceryl ester, producing a 10:90 2:1-glyceryl ester mixture in typical aqueous media. While the stability and metabolism of these prostaglandin products has been investigated,4 little is known about their intrinsic biological activity. [HMDB] 2-Arachidonoyl glycerol (2-AG) has been isolated from porcine brain,1 and has been characterized as the natural endocannabinoid ligand for the CB1 receptor.2 Incubation of 2-AG with COX-2 and specific prostaglandin H2 (PGH2) isomerases in cell cultures and isolated enzyme preparations results in prostaglandin glycerol ester formation.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. The 2-glyceryl ester moiety equilibrates rapidly (within minutes) with the more stable 1-glyceryl ester, producing a 10:90 2:1-glyceryl ester mixture in typical aqueous media. While the stability and metabolism of these prostaglandin products has been investigated,4 little is known about their intrinsic biological activity.
Stigmast-22-ene-3,6-dione
Stigmast-22-ene-3,6-dione is found in fruits. Stigmast-22-ene-3,6-dione is a constituent of Phoenix dactylifera (date) Constituent of Phoenix dactylifera (date). Stigmast-22-ene-3,6-dione is found in fruits.
Stigmast-4-ene-3,6-dione
Constituent of mature wheat straw (Triticum aestivum). Stigmast-4-ene-3,6-dione is found in many foods, some of which are soy bean, wheat, cereals and cereal products, and bamboo shoots. Stigmast-4-ene-3,6-dione is found in bamboo shoots. Stigmast-4-ene-3,6-dione is a constituent of mature wheat straw (Triticum aestivum).
7-Oxostigmasterol
7-Oxostigmasterol is found in barley. 7-Oxostigmasterol is isolated from roots of French bea Isolated from roots of French bean. 7-Oxostigmasterol is found in barley and pulses.
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one is found in fruits. (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one is a constituent of the roots of Phaseolus vulgaris (kidney bean) and the stems of Phoenix dactylifera (date).
Momordenol
Momordenol is found in fruits. Momordenol is a constituent of Momordica charantia (bitter melon) Constituent of Momordica charantia (bitter melon). Momordenol is found in fruits.
29-Norcycloartane-3,24-dione
29-Norcycloartane-3,24-dione is found in fruits. 29-Norcycloartane-3,24-dione is a constituent of fruit peel of Musa sapientum (banana) Constituent of fruit peel of Musa sapientum (banana). 29-Norcycloartane-3,24-dione is found in fruits.
13'-Hydroxy-gamma-tocotrienol
13-hydroxy-r-tocotrienol is a precursor in dehydrogenation to form 13-carboxy-r-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Gamma-tocotrienol targets cancer cells by inhibiting Id1, a key cancer-promoting protein. Gamma-tocotrienol was shown to trigger cell apoptosis and well as anti-proliferation of cancer cells. This mechanism was also observed in separate prostate cancer and melanoma cell line studies. 13-hydroxy-r-tocotrienol is a precursor in dehydrogenation to form 13-carboxy-r-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one
(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one is found in fruits. (3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). (3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one is found in fruits.
(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol
(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol is found in mushrooms. (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol is a constituent of Tricholoma matsutake (matsutake) Constituent of Tricholoma matsutake (matsutake). (3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol is found in mushrooms.
Prostaglandin D2-1-glyceryl ester
2-Arachidonoyl glycerol (2-AG) has been isolated from porcine brain, and has been characterized as the natural endocannabinoid ligand for the CB1 receptor.1,2 Incubation of 2-AG with cyclooxygenase-2 (COX-2) and specific prostaglandin H2 (PGH2) isomerases in cell cultures and isolated enzyme preparations results in prostaglandin glycerol ester formation.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. In RAW 264.7 cells, PGD2-2-glyceryl ester is the main COX metabolite.3 The 2-glyceryl ester moiety equilibrates rapidly (within minutes) with the more stable 1-glyceryl ester, producing a 10:90 mixture of the 1- and 2-glyceryl esters in typical aqueous media. While the stability and metabolism of these PG products have been investigated, little is known about their intrinsic biological activity. [HMDB] 2-Arachidonoyl glycerol (2-AG) has been isolated from porcine brain, and has been characterized as the natural endocannabinoid ligand for the CB1 receptor.1,2 Incubation of 2-AG with cyclooxygenase-2 (COX-2) and specific prostaglandin H2 (PGH2) isomerases in cell cultures and isolated enzyme preparations results in prostaglandin glycerol ester formation.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. In RAW 264.7 cells, PGD2-2-glyceryl ester is the main COX metabolite.3 The 2-glyceryl ester moiety equilibrates rapidly (within minutes) with the more stable 1-glyceryl ester, producing a 10:90 mixture of the 1- and 2-glyceryl esters in typical aqueous media. While the stability and metabolism of these PG products have been investigated, little is known about their intrinsic biological activity.
4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis I and in cholesterol biosynthesis III (via desmosterol). It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from the enzymatic reduction of 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol or from the enzymatic oxidation of 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis II may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway. The sequence of reactions and the types of intermediates in cholesterol biosynthesis III (via desmosterol) may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway. In cholesterol biosynthesis I, 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol is an intermediate in the conversion of lanosterol to cholesterol. The enzymology of this multistep conversion was largely determined in rat liver and the human pathway is therefore inferred from this work. Indeed, the order of some of the reactions in this pathway may vary. The lanosterol-to-cholesterol conversion involves the oxidative removal of three methyl groups, reduction of double bonds, and migration of the lanosterol double bond to a new position in cholesterol. The reactions in the lanosterol pathway are catalyzed by membrane-bound enzymes. Human genes have been identified for all the enzymes in this pathway and human disorders of cholesterol metabolism have been associated with genetic defects in most of these enzymes. 4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis I and in cholesterol biosynthesis III (via desmosterol). It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from the enzymatic reduction of 4alpha-carboxy-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol or from the enzymatic oxidation of 4alpha-hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis II may vary. Alternate routes exist because reduction of the carbon 24,25 double bond on the hydrocarbon side chain of the sterol ring structure by sterol delta24-reductase can occur at multiple points in the pathway, giving rise to different intermediates. These intermediates, with or without a double bond in the hydrocarbon side chain, can serve as substrates for the other enzymes in the pathway.
Prostaglandin PGE2 glyceryl ester
GE2 glycerol ester is a COX-2 oxidative metabolite of 2-arachidonoyl glycerol, modulates inhibitory synaptic transmission in mouse hippocampal neurons. 2-Arachidonoyl glycerol (2-AG) has been isolated from porcine brain,1 and has been characterized as the natural endocannabinoid ligand for the CB1 receptor.2 Incubation of 2-AG with COX-2 and specific prostaglandin H2 (PGH2) isomerases in cell cultures and isolated enzyme preparations results in prostaglandin glycerol ester formation.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. The 2-glyceryl ester moiety equilibrates rapidly (within minutes) with the more stable 1-glyceryl ester, producing a 10:90 2:1-glyceryl ester mixture in typical aqueous media. While the stability and metabolism of these prostaglandin products has been investigated,4 little is known about their intrinsic biological activity. Prostaglandins are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. GE2 glycerol ester is a COX-2 oxidative metabolite of 2-arachidonoyl glycerol, modulates inhibitory synaptic transmission in mouse hippocampal neurons
4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol
4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol is also known as 4alpha-Formyl-4-methylzymosterol. 4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol is considered to be practically insoluble (in water) and relatively neutral. 4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol is a sterol lipid molecule
Prostaglandin H2 2-glyceryl Ester
Prostaglandin H2 2-glyceryl Ester is also known as 2-Glyceryl-prostaglandin H2. Prostaglandin H2 2-glyceryl Ester is considered to be practically insoluble (in water) and relatively neutral. Prostaglandin H2 2-glyceryl Ester is an eicosanoid lipid molecule
(23R)-1alpha-Hydroxy-25,27-didehydrovitamin D3 26,23-lactone
Leupeptin
MG(PGE2/0:0/0:0)
MG(PGE2/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(PGD2/0:0/0:0)
MG(PGD2/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/0:0)
MG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/PGE2/0:0)
MG(0:0/PGE2/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/PGD2/0:0)
MG(0:0/PGD2/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0)
MG(0:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
5alpha-Stigmast-22-ene-3,6-dione
5alpha-stigmast-22-ene-3,6-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5alpha-stigmast-22-ene-3,6-dione can be found in date, which makes 5alpha-stigmast-22-ene-3,6-dione a potential biomarker for the consumption of this food product.
6beta-Hydroxystigmasta-4,22-dien-3-one
6beta-hydroxystigmasta-4,22-dien-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6beta-hydroxystigmasta-4,22-dien-3-one can be found in date, which makes 6beta-hydroxystigmasta-4,22-dien-3-one a potential biomarker for the consumption of this food product.
4alpha-formyl-ergosta-7,24(241)-dien-3beta-ol
4alpha-formyl-ergosta-7,24(241)-dien-3beta-ol belongs to ergosterols and derivatives class of compounds. Those are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. 4alpha-formyl-ergosta-7,24(241)-dien-3beta-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4alpha-formyl-ergosta-7,24(241)-dien-3beta-ol can be found in a number of food items such as canola, tree fern, malabar spinach, and jute, which makes 4alpha-formyl-ergosta-7,24(241)-dien-3beta-ol a potential biomarker for the consumption of these food products.
29-Norcycloartane-3,24-dione
Stigmast-22-ene-3,6-dione
Di-Ac-(RS,Z)-2,3-Dihydroxy-1-octadec-9-enyloxypropane
(3beta,5beta,6beta,7alpha,11alpha)-5,6-Epoxyergosta-8,24(28)-diene-3,7,11-triol
29-norlupan-3,20-dione|29-norlupane-3,20-dione|30-Nor-lupandion-(3.20)|30-nor-lupanedione-(3.20)
(3beta,4R,5alpha)-4-Methylergosta-8,14,24(28)-triene-3,4-diol|4alpha-methyl-5alpha-ergosta-8,14,24(28)-triene-3beta,4beta-diol
(3beta,5alpha)-3-Hydroxy-4,4-dimethylcholesta-8,24-dien-23-one
5alpha,8alpha-epidioxyergosta-6Z,22Z,25-trien-3beta-ol
(rel-5S,6R,8R,9R,10S,13R,14S,15R,16S)-6-acetoxy-9,16;15,16-diepoxy-13,14-dihydroxy-15-methoxylabdane|viteagnusin G
5,8-epidioxy-24-methylcholesta-6,9(11),24(28)-trien-3beta-ol|5alpha,8alpha-Epidioxy-24-methylcholesta-6,9(11),24(28)-trien-3beta-ol
2-[(2E,6Z,10E)-5-oxo-13-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-6-methylhydroquinone
26,27-cyclo-24,27-dimethyl-3beta-hydroxycholest-5-en-7-one|7-oxopetrosterol
29-nor-3,4-seco-friedelan-4(23),20(30)-dien-3-oic acid
6beta-6-Hydroxystigmasta-4,24-dien-3-one|6beta-hydroxystigmasta-4,24(25)-dien-3-one
5-hydroxy-2-(14-(E)-nonadecenyl)chromone|peperovulcanone A
(20S,22E)-24-methylcholesta-1,4,22-triene-18,20-diol-3-one
(1E,4S,5E,7R)-2-O-acetyl-7-O-beta-D-glucopyranosylgermacra-1(10),5-diene
5alpha,6alpha-epoxy-3beta-hydroxy-(22E,24R)-ergosta-8,22-dien-7-one
(2beta)-2-hydroxy-24,29-dinorfriedel-4-ene-3,21-dione|triptocalline B
6beta-benzoyl-12-methyl-9(12)a,9(12)b-dihomopodocarpane-3beta,13beta-diol|dulcinodiol
(14alpha,22E)-14-hydroxyergosta-7,22-diene-3,6-dione
(1E,4S,5E,7R)-6O-acetyl-7-O-beta-D-glucopyranosylgermacra-1(10),5-diene
acetic acid 2-(5E,8E,10E,12E,14E,16E,18Z)-4-hydroxy-3,5,7,9,13,17-hexamethyl-eicosa-5,8,10,12,14,16,18-heptaenyl ester|dawenol
ergost-5,22-diene-3beta-ol-20,28-olide|plucheasterolide
8beta-hydroxy-15-malonyloxy-ent-labdan-18-oic acid
3,4-dihydroxy-5-(E,E,E-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl)benzoic acid
Ac-3-3beta-Hydroxy-27-norcholesta-5,25-dien-24-one
(25r)-4-spirosten-3,12-dione
(25R)-Spirost-4-ene-3,12-dione is a natural product found in Tribulus terrestris and Persicaria chinensis with data available.
GarcinoicAcid
(2e,6e,10e)-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid is a tocotrienol. GarcinoicAcid is a natural product found in Garcinia kola with data available.
C27H38O4_(2E,6E,10E)-13-[(2R)-6-Hydroxy-2,8-dimethyl-3,4-dihydro-2H-chromen-2-yl]-2,6,10-trimethyl-2,6,10-tridecatrienoic acid
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid_major
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid_3.4\\%
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Val Val Pro Ile
Val Val Pro Leu
(5Z,7E,22E,24E)-(1S,3R)-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol
(5Z,7E)-(1R,3R)-1-hydroxymethyl-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol
(23S)-1α-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
(23R)-1α-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
1-PGE(,2)-g
PGD2-1-Glyceryl ester
(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol
(23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
2-benzofuran-1,3-dione,2-[2-(2-hydroxyethoxy)ethoxy]ethanol,2,2,4-trimethylhexane
1,6-diisocyanatohexane,hexane-1,6-diamine,6-isocyanatohexan-1-amine
dibutoxy(oxo)phosphanium,tributyl(methyl)phosphanium
magnesium,(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate,(E)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate,dihydrate
1,3-BIS(2,6-DIISOPROPYLPHENYL)-IMIDAZOLIDINIUM-CHLORIDE
1,3-Bis(2,6-diisopropylphenyl)-2,2-difluoro-2,3-dihydro-1H-imidazole
4(or 5)-(di-1H-indol-1-ylmethyl)-α,α-dimethylcyclohexenebutan-1-ol
d,l-threo-1-phenyl-2-decanoylamino-3-morpholino-1-propanol hcl
Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium
prostaglandin E2 1-glyceryl ester
A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin E2 with the 1-hydroxy group of glycerol.
(2S)-2-({5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}amino)-N-[(2S)-2-acetamido-4-methylpentanoyl]-4-methylpentanamide
[3-carboxy-2-[(6E,8E)-15-carboxypentadeca-6,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-15-carboxypentadeca-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-15-carboxypentadeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,13E)-15-carboxypentadeca-7,13-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E)-15-carboxypentadeca-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(12E,14E)-15-carboxypentadeca-12,14-dienoyl]oxypropyl]-trimethylazanium
5-[2-[(4E)-4-[(2Z)-2-(3,5-dihydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
1-Butyryl-2-oleoyl-sn-glycerol
A 1,2-diacyl-sn-glycerol where butyryl and oleoyl are the 1- and 2-acyl groups respectively.
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
3-methyl-2-[[2-(methylamino)-1-oxopropyl]amino]-N-[3-methyl-1-(1-naphthalenylamino)-1-oxobutan-2-yl]butanamide
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta-ol
(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2S,3S)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
(2R,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
1,3-dihydroxypropan-2-yl (5Z,13E,15S)-6,9alpha-epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate
2-[[(2R)-3-dodecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[(2R)-2-hydroxy-3-undecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
(1-hydroxy-3-octanoyloxypropan-2-yl) (Z)-tetradec-9-enoate
(1-hydroxy-3-nonanoyloxypropan-2-yl) (Z)-tridec-9-enoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (Z)-hexadec-9-enoate
(1-heptanoyloxy-3-hydroxypropan-2-yl) (Z)-pentadec-9-enoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (Z)-heptadec-9-enoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (Z)-nonadec-9-enoate
(1-acetyloxy-3-hydroxypropan-2-yl) (Z)-icos-11-enoate
2-[(3-Dodecoxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-undecanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(3-octoxy-2-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
2-[(2-Acetyloxy-3-nonoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
(22E,24S)-5alpha,8alpha-epidioxy-24-methylcholesta-6,9,22-trien-3beta -ol
A natural product found in Melia toosendan.
prostaglandin I2 2-glyceryl ester
A 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin I2 with the 2-hydroxy group of glycerol.
Prostaglandin H2 2-glyceryl Ester
A 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin H2 with the 2-hydroxy group of glycerol.
prostaglandin D2 1-glyceryl ester
A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin D2 with the 1-hydroxy group of glycerol.
prostaglandin D2 2-glyceryl ester
A 2-monoglyceride resulting from the condensation of the carboxy group of prostaglandin D2 with the 2-hydroxy group of glycerol.
prostaglandin E2 2-glyceryl ester
A 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin E2 with the 2-hydroxy group of glycerol.
10-(6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl)-3,7-dimethyl-2-(2-methylprop-1-en-1-yl)deca-3,7-dienoic acid
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1r,2e,4s,7e)-4-isopropyl-1,7-dimethylcyclodeca-2,7-dien-1-yl]oxy}oxan-3-yl acetate
n-(5-carbamimidamido-1-oxopentan-2-yl)-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene]amino}-4-methylpentanimidic acid
(1s,2s,6r,7r,8r,10r,12s,13s)-12-hydroxy-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0²,⁷]hexadecan-8-yl benzoate
(1r,4r,5r,9r,10r,13r,14r,17s)-14-[(2r,5r)-5,6-dimethylhept-3-en-2-yl]-17-hydroxy-9,13-dimethylpentacyclo[8.7.0.0¹,¹³.0⁴,⁹.0⁵,¹⁷]heptadecane-3,6-dione
(2e,10e)-1-(2,5-dihydroxy-3-methylphenyl)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-5-one
2-[(2z,6e,9r,10e)-8,9-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
(2s,3s)-n-[(2s)-5-carbamimidamido-1-oxopentan-2-yl]-2-{[(2s)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene]amino}-3-methylpentanimidic acid
2-(17-carboxyheptadecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
(1r,3as,3bs,5r,9ar,9bs,10r,11ar)-5,10-dihydroxy-9a,11a-dimethyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-9-one
2-[(2e,6e,8r,9r,10e)-8,9-dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
1,4,4,10,10-pentamethyl-11-(3-methylbut-2-en-1-yl)-9-(2-methylbutanoyl)-3-oxatricyclo[7.3.1.0²,⁷]trideca-2(7),5-diene-8,13-dione
5,5'-diisopropyl-3,3',8,8'-tetramethyl-[2,2'-binaphthalene]-1,1'-diol
1-(6-hydroxy-2,8-dimethylchromen-2-yl)-4,8,12-trimethyltrideca-3,7,11-triene-5,6-diol
(1r,2s,3as,3bs,9bs,11as)-1-[(2s,5z)-2-hydroxy-5-isopropylhept-5-en-2-yl]-11a-methyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7-diol
2-[(2e,6e,10e)-15-hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-2,6,10-trien-1-yl]-6-methylcyclohexa-2,5-diene-1,4-dione
(2s,2'r,3s,3ar,4'r,4'as,6r,7ar,8'as)-3,3a-dihydroxy-2-methoxy-2',5',5',8'a-tetramethyl-decahydro-2h,2'h-spiro[furo[2,3-b]pyran-6,1'-naphthalen]-4'-yl acetate
1-(2,5-dihydroxy-3-methylphenyl)-13-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-5-one
(2r,3r)-2-{2-[(7s)-3,7-dihydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl}-3-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-2-methylcyclopentan-1-one
(2z,6e,10e)-12-(2,5-dihydroxy-3-methylphenyl)-6,10-dimethyl-2-(4-methylpent-3-en-1-yl)dodeca-2,6,10-trienoic acid
2-{9a,11a-dimethyl-7-oxo-1h,2h,3h,3ah,3bh,4h,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-6-methyl-5-methylideneheptanoic acid
(2z,6e,10e,14e)-16-(2,5-dihydroxy-3-methylphenyl)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
(3e,5r,6r,7e)-1-[(2r)-6-hydroxy-2,8-dimethylchromen-2-yl]-4,8,12-trimethyltrideca-3,7,11-triene-5,6-diol
5-[(6e)-14-(3-hydroxy-5-methoxyphenyl)tetradec-6-en-1-yl]benzene-1,3-diol
(4r,6e)-4-hydroxy-13-[(2r)-6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trien-5-one
(2e,6z,10e,13r)-1-(2,5-dihydroxy-3-methylphenyl)-13-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-5-one
n-(5-carbamimidamido-1-oxopentan-2-yl)-2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-4-methylpentylidene}amino)-3-methylpentanimidic acid
1-(5,6-dihydroxy-5-isopropylhex-3-en-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
4-hydroxy-13-(6-hydroxy-2,8-dimethyl-3,4-dihydro-1-benzopyran-2-yl)-2,6,10-trimethyltrideca-2,6,10-trien-5-one
3-{[(1r,2r,4br,7r,8as,10as)-7-hydroxy-1,2,4b,8,8-pentamethyl-3,5,6,7,8a,9,10,10a-octahydro-2h-phenanthren-1-yl]methyl}-4-hydroxybenzoic acid
2-{2-[(1-hydroxyethylidene)amino]-n,3-dimethylbutanamido}-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-4-methylpentanimidic acid
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[(1r,2e,4s,7e)-4-isopropyl-1,7-dimethylcyclodeca-2,7-dien-1-yl]oxy}oxan-2-yl]methyl acetate
(2s,2's,3r,3as,4's,4'ar,6s,7ar,8'ar)-3,3a-dihydroxy-2-methoxy-2',5',5',8'a-tetramethyl-decahydro-2h,2'h-spiro[furo[2,3-b]pyran-6,1'-naphthalen]-4'-yl acetate
25r-spirost-4-en-3,12-dione
{"Ingredient_id": "HBIN004751","Ingredient_name": "25r-spirost-4-en-3,12-dione","Alias": "NA","Ingredient_formula": "C27H38O4","Ingredient_Smile": "CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6=CC(=O)CCC56C)C)C)OC1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20202","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5α,8α-epidioxyergosta-6,9(11),22-trien-3α-ol
{"Ingredient_id": "HBIN011394","Ingredient_name": "5\u03b1,8\u03b1-epidioxyergosta-6,9(11),22-trien-3\u03b1-ol","Alias": "NA","Ingredient_formula": "C28H42O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
asebotoxin i
{"Ingredient_id": "HBIN017046","Ingredient_name": "asebotoxin i","Alias": "NA","Ingredient_formula": "C23H38O7","Ingredient_Smile": "CCC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O","Ingredient_weight": "426.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1848","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "135929163","DrugBank_id": "NA"}
