Exact Mass: 412.309
Exact Mass Matches: 412.309
Found 500 metabolites which its exact mass value is equals to given mass value 412.309,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Testosterone cypionate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
Doxercalciferol
H - Systemic hormonal preparations, excl. sex hormones and insulins > H05 - Calcium homeostasis > H05B - Anti-parathyroid agents D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols D050071 - Bone Density Conservation Agents
10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
A very long-chain omega-3 fatty acid that is octacosanoic acid having six double bonds located at positions 10, 13, 16, 19, 22 and 25 (the 10Z,13Z,16Z,19Z,22Z,25Z-isomer).
Unknown 370
Unknown 370 is found in fruits. Unknown 370 is isolated from the avocado fruit (Persea americana). Isolated from the avocado fruit (Persea americana). Unknown 370 is found in fruits.
(5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol
(5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol is found in mushrooms. (5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol is a constituent of Armillaria mellea (honey mushroom). Constituent of Armillaria mellea (honey mushroom). (5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol is found in mushrooms.
(24R)-Ergost-4-ene-3,6-dione
(24S)-Ergost-4-ene-3,6-dione is found in pulses. (24S)-Ergost-4-ene-3,6-dione is isolated from Glycine max (soybean).
(9E)-Valenciaxanthin
(9Z)-Valenciaxanthin is found in citrus. (9Z)-Valenciaxanthin is a constituent of Californian Valencia orange juice.
Portensterol
Portensterol is a constituent of Tricholoma portentosum and Clitocybe nebularis (clouded agaric) Constituent of Tricholoma portentosum and Clitocybe nebularis (clouded agaric).
Amasterol
Amasterol is found in green vegetables. Amasterol is isolated from Amaranthus viridis (calalu Isolated from Amaranthus viridis (calalu). Amasterol is found in green vegetables.
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is found in mushrooms. 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is isolated from Suillus granulatus (granulated bolete). Isolated from Suillus granulatus (granulated bolete). 4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol is found in mushrooms.
Valenciachrome
Constituent of Californian Valencia orange juice (Citrus species). Valenciachrome is found in sweet orange and citrus. Valenciachrome is found in citrus. Valenciachrome is a constituent of Californian Valencia orange juice (Citrus sp.).
25-Hydroxyvitamin D2
9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol. Biologically active metabolite of vitamin D2 which is more active in curing rickets than its parent. The compound is believed to attach to the same receptor as vitamin D2 and 25-hydroxyvitamin D3. [HMDB] 9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol. Biologically active metabolite of vitamin D2 which is more active in curing rickets than its parent. The compound is believed to attach to the same receptor as vitamin D2 and 25-hydroxyvitamin D3. D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols D050071 - Bone Density Conservation Agents
4a-Formyl-5a-cholesta-8,24-dien-3b-ol
4a-Formyl-5a-cholesta-8,24-dien-3b-ol is an intermediate in the biosynthesis of cholesterol, in a reaction catalyzed by the enzyme methylsterol monooxygenase (EC 1.14.13.72, 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol,hydrogen-donor:oxygen oxidoreductase (hydroxylating)). (MetaCyc).
Calcipotriol
Calcipotriol is only found in individuals that have used or taken this drug. It is a synthetic derivative of calcitriol or Vitamin D.The precise mechanism of calcipotriol in remitting psoriasis is not well-understood. However, it has been shown to have comparable affinity with calcitriol for the Vitamin D receptor, while being less than 1\\% as active as the calcitriol in regulating calcium metabolism. The Vitamin D receptor (VDR) belongs to the steroid/thyroid receptor superfamily, and is found on the cells of many different tissues including the thyroid, bone, kindney, and T cells of the immune system. T cells are known to play a role in psoriasis, and it is thought that the binding of calcipotriol to the VDR modulates the T cells gene transcription of cell differentiation and proliferation related genes. D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene is found in mushrooms. 4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene is isolated from Suillus granulatus (granulated bolete). Isolated from Suillus granulatus (granulated bolete). 4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene is found in mushrooms.
4α-formyl-5α-cholesta-8,24-dien-3β-ol
4α-formyl-5α-cholesta-8,24-dien-3β-ol is considered to be practically insoluble (in water) and relatively neutral. 4α-formyl-5α-cholesta-8,24-dien-3β-ol is a sterol lipid molecule
N-Palmitoyl Arginine
N-palmitoyl arginine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Palmitic acid amide of Arginine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Palmitoyl Arginine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Palmitoyl Arginine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
N-Stearoyl Glutamine
N-stearoyl glutamine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Stearic acid amide of Glutamine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Stearoyl Glutamine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Stearoyl Glutamine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(22E)-(24R)-1alpha,24-Dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3/(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epicholecalciferol
25-hydoxyergocalciferol
Doxercalciferol
Durandro
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens
MG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/0:0)
MG(20:3(8Z,11Z,14Z)-2OH(5,6)/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(0:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)
MG(0:0/20:3(8Z,11Z,14Z)-2OH(5,6)/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).
DG(2:0/18:1(12Z)-O(9S,10R)/0:0)
DG(2:0/18:1(12Z)-O(9S,10R)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(12Z)-O(9S,10R)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-O(9S,10R)/2:0/0:0)
DG(18:1(12Z)-O(9S,10R)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(12Z)-O(9S,10R)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(12Z)-O(9S,10R))
DG(2:0/0:0/18:1(12Z)-O(9S,10R)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-O(9S,10R)/0:0/2:0)
DG(18:1(12Z)-O(9S,10R)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(2:0/18:1(9Z)-O(12,13)/0:0)
DG(2:0/18:1(9Z)-O(12,13)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(9Z)-O(12,13)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(9Z)-O(12,13)/2:0/0:0)
DG(18:1(9Z)-O(12,13)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(9Z)-O(12,13)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(9Z)-O(12,13))
DG(2:0/0:0/18:1(9Z)-O(12,13)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(9Z)-O(12,13)/0:0/2:0)
DG(18:1(9Z)-O(12,13)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Campest-4-en-3,6-dione
Campest-4-en-3,6-dione 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. Campest-4-en-3,6-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Campest-4-en-3,6-dione can be found in date, which makes campest-4-en-3,6-dione a potential biomarker for the consumption of this food product.
Valenciaxanthin
(9e)-valenciaxanthin is a member of the class of compounds known as sesterterpenoids. Sesterterpenoids are terpenes composed of five consecutive isoprene units (9e)-valenciaxanthin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (9e)-valenciaxanthin can be found in citrus, which makes (9e)-valenciaxanthin a potential biomarker for the consumption of this food product. Constituent of Californian Valencia orange juice (Citrus species). (9E)-Valenciaxanthin is found in citrus.
benzethonium
R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
6-Hexadecyl-3,6-dihydro-6-methoxy-1,2-dioxin-3-acetic acid methyl ester
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol
(-)-epistypodiol|(14R)-form-Stypodiol|epistypodiol
(25S)-neospirost-4-en-3-one|(25S)-Spirost-4-en-3-on|(25S)-spirost-4-en-3-one|Diosgenone|Tamogenone
aglaiabbreviatin A
A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
16-deacetoxy-12-epi-scalarafuranacetate|16-deacetyl-12-epi-scalarafuran|16-deaxetoxy-12-epi-scalarafuran acetate
1-Me ether-(2Z,6E,10E)-5-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl)-1,2,3-benzenediol
(22E)-24alpha-methyl-cholest-4,8(9),22(23)-triene-3alpha,7beta-diol
3beta-hydroxy-26-nor-9,19-cyclolanost-23-en-25-one
3beta-hydroxy-24-methylene-5-cholesten-7-one|cholesta-5,24(24)-dien-3beta-ol-7-one|ergosta-5,24(28)-dien-3beta-ol-7-one
(3S,5Z,7E,22E,24xi)-9,10-Secoergosta-5,7,10(19),22-tetraene-3,24-diol
(25S)-3-oxocholesta-1,4-dien-26-oic acid|(25S)-Delta(1,4)-dafachronic acid
(20S,22E)-cholesta-1,4,22-trien-18,20-diol-3-one|(20S,22E)-cholesta-1,4,22-triene-18,20-diol-3-one
4,4,14alpha-trimethyl-5alpha-chol-7,9(11)-dien-3-oxo-24-oic acid
(22E,24R)-3beta-hydroxy-5alpha-ergosta-7,22-dien-6-one|(22E,24R)-3beta-hydroxyergosta-7,22-dien-6-one|3beta-Hydroxy-5alpha-ergosta-7,22-dien-6-on|3beta-Hydroxy-5alpha-ergostadien-7.22-6-on
delta-(Z)-deoxyamplexichromanol|delta-tocotrienilic alcohol
3-hydroxy-9,10-secoergosta-1,3,5(10)-trien-9-one|sibogol C
(3S,6Z,22E,24xi)-9,10-Secoergosta-5(10),6,8(14),22-tetraene-3,24-diol
(3beta,22E)-3-Hydroxycholesta-5,22-diene-7,24-dione
(20S)-20-(acetylamino)-3beta-(methylamino)-9,10-seco-buxa-9(11),10(19)-diene|N20-acetylbuxamine G
5-[(8Z)-heptadec-8-en-1-yl]-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
(22E,24R*,25R*)-5alpha,8alpha-epidioxy-24,26-cyclo-cholesta-6,22-dien-3beta-ol
Cholest-5-en-23-yn-3beta,25-diol-7-one|Gelliusterol D
2-((2E,6E,10E)-5-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)-6-methylhydroquinone|2-(2E,6E,10E)-5-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl-6-methylhydroquinol|2-(5-Hydoxy-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-6-methyl-1,2-benzendiol|2-<(2E,6E,10E)-5-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl>-6-methylhydroquinone
1-(16-phenyl-12Z-hexadecenyl)-4-cyclohexene-(1S*,3S*)-diol
ST 28:3;O2
5,6-Epoxyergosterol is a natural product found in Ophiocordyceps sinensis with data available.
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate
benzethonium
R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE standard compound; INTERNAL_ID 2840 D000890 - Anti-Infective Agents
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid [IIN-based: Match]
Ala Ile Ile Pro
Ala Ile Leu Pro
Ala Ile Pro Ile
Ala Ile Pro Leu
Ala Leu Ile Pro
Ala Leu Leu Pro
Ala Leu Pro Ile
Ala Leu Pro Leu
Ala Pro Ile Ile
Ala Pro Ile Leu
Ala Pro Leu Ile
Ala Pro Leu Leu
Calcipotriene
D018977 - Micronutrients > D014815 - Vitamins > D004100 - Dihydroxycholecalciferols D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols C78284 - Agent Affecting Integumentary System > C29708 - Anti-psoriatic Agent D003879 - Dermatologic Agents
Ile Ala Ile Pro
Ile Ala Leu Pro
Ile Ala Pro Ile
Ile Ala Pro Leu
Ile Ile Ala Pro
Ile Ile Pro Ala
Ile Leu Ala Pro
Ile Leu Pro Ala
Ile Pro Ala Ile
Ile Pro Ala Leu
Ile Pro Ile Ala
Ile Pro Leu Ala
Leu Ala Ile Pro
Leu Ala Leu Pro
Leu Ala Pro Ile
Leu Ala Pro Leu
Leu Ile Ala Pro
Leu Ile Pro Ala
Leu Leu Ala Pro
Leu Leu Pro Ala
Leu Pro Ala Ile
Leu Pro Ala Leu
Leu Pro Ile Ala
Leu Pro Leu Ala
Pro Ala Ile Ile
Pro Ala Ile Leu
Pro Ala Leu Ile
Pro Ala Leu Leu
Pro Ile Ala Ile
Pro Ile Ala Leu
Pro Ile Ile Ala
Pro Ile Leu Ala
Pro Leu Ala Ile
Pro Leu Ala Leu
Pro Leu Ile Ala
Pro Leu Leu Ala
Pro Val Val Val
Ercalcidiol
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols D050071 - Bone Density Conservation Agents
Val Pro Val Val
24-hydroxyvitamin D2 / 24-hydroxyergocalciferol
24-epi-25-hydroxyvitamin D2 / 24-epi-25-hydroxyergocalciferol
1α,25-dihydroxy-20-epivitamin D2 / 1α,25-dihydroxy-20-epiergocalciferol
(5Z,7E)-(1S,3R)-1-fluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol
1α-hydroxy-24-oxo-26,27-cyclovitamin D3 / 1α-hydroxy-24-oxo-26,27-cyclocholecalciferol
(5Z,7E,22E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19),22-cholestatetraen-24-one
(5Z,7E,22E)-(1S,3R,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E)-(1S,3R,20S,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E)-(1S,3R,20S,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol
(5Z,7E,23Z)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol
(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol
(5Z,7E,22E,24E)-(1S,3R)-26a-homo-27-nor-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,26a-triol
(5Z,7E,22E)-(3S,25R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-3,25-diol
(5Z,7E,22E)-(3S,25S)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-3,25-diol
(5Z,7E,23E)-(3S)-9,10-seco-5,7,10(19),23-ergostatetraene-3,25-diol
Calcipotriol
(5x,6x)-5,6-Epoxyergosta-7,22-dien-3-ol
Portensterol
(9E)-Valenciaxanthin
Valenciachrome
1-Cyano-2-methylisothiourea
Unknown 370
4-Methoxy-3-geranylgeranyl-1,2-dihydroxybenzene
4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol
ST 27:4;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
24-hydroxyvitamin D2
D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols
25-Hydroxycalciferol
A hydroxycalciol that is vitamin D2 in which the hydrogen at position 25 has been replaced by a hydroxy group. D018977 - Micronutrients > D014815 - Vitamins > D004872 - Ergocalciferols D050071 - Bone Density Conservation Agents
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
1alpha-hydroxy-24-oxo-26,27-cyclovitamin D3 / 1alpha-hydroxy-24-oxo-26,27-cyclocholecalciferol
(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3
(22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3
(22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3
(23E)-1alpha,25-dihydroxy-16,17,23,24-tetradehydrovitamin D3
(23R)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrovitamin D3
1alpha,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3
(22E)-(25S)-25-hydroxy-26-methyl-22,23-didehydrovitamin D3
25-hydroxy-24-methyl-23,24-didehydrovitamin D3
DICYCLOHEXYLAMINE (2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
butyl prop-2-enoate,ethenyl acetate,ethenyl 8-methylnonanoate
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
2,2-(5-Cyclohexyl-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Nandrolone cyclohexylpropionate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3beta-Hydroxyergosta-8,24(28)-dien-7-one
An ergostanoid that is (5alpha)-ergosta-8,24(28)-diene substituted by a beta-hydroxy group at position 3 and an oxo group at position 7. It has been isolated from Aspergillus ochraceus.
Delta(1),Delta(7)-dafachronic acid
A member of the class of dafachronic acids that is (25S)-5alpha-cholestan-26-oic acid which is substituted at position 3 by an oxo group and which contains double bonds at the 1-2 and 7-8 positions. Found in Caenorhabditis elegans.
(1R,3S,E)-5-((E)-2-((1R,3AS,7aR)-1-((2R,5S,E)-5,6-dimethylhept-3-en-2-yl)-7a-methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-methylenecyclohexa
(9E)-Valenciaxanthin
(9Z)-Valenciaxanthin is found in citrus. (9Z)-Valenciaxanthin is a constituent of Californian Valencia orange juice. Constituent of Californian Valencia orange juice. (9Z)-Valenciaxanthin is found in citrus.
1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3/1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrocholecalciferol
(1S,2S,4S,5R,6R,7S,8R,9R,12S,13R)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2-piperidin-1-ium]-16-one
(5Z)-5-[(2E)-2-[1-[(E)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(10R,13R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
[(2S)-1-acetyloxy-3-hydroxypropan-2-yl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2S)-2-acetyloxy-3-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2R)-3-acetyloxy-2-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[(2S)-3-acetyloxy-2-hydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
[3-carboxy-2-[(9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(3R,9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,12E)-11-hydroxyhexadeca-6,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-heptadec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-heptadec-10-enoyl]oxypropyl]-trimethylazanium
16-Deacetoxy-12-epi-scalarafuranacetate
A natural product found in Spongia officinalis.
[3-carboxy-2-[(Z)-heptadec-7-enoyl]oxypropyl]-trimethylazanium
(2R)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8S,9R,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2R)-4-[4-[(8S,9S,10R)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(2S)-4-[4-[(8R,9S,10S)-10-(hydroxymethyl)-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-3-butyn-2-ol
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
[(1S)-3-carboxy-1-[(9Z,12Z)-3-hydroxyhexadeca-9,12-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoyloxy]propyl]-trimethylazanium
(1-hydroxy-3-octanoyloxypropan-2-yl) (Z)-tridec-9-enoate
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate
(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid
(1-heptanoyloxy-3-hydroxypropan-2-yl) (Z)-tetradec-9-enoate
(1-butanoyloxy-3-hydroxypropan-2-yl) (Z)-heptadec-9-enoate
(1-hexanoyloxy-3-hydroxypropan-2-yl) (Z)-pentadec-9-enoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (Z)-hexadec-9-enoate
(1-acetyloxy-3-hydroxypropan-2-yl) (Z)-nonadec-9-enoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (Z)-octadec-9-enoate
[1-carboxy-3-[3-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-undecoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
4alpha-formylzymosterol
A 4-formylzymosterol in which the formyl group at position 4 has alpha-configuration.
4-formylzymosterol
A 3beta-sterol that is zymosterol which carries a formyl group at position 4.
(25R)-5alpha,8alpha-epidioxy-24R,26-cyclo-cholest-6,22E-dien-3beta-ol
all-trans-retinyl octanoate
An all-trans-retinyl ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of all-trans-retinol.
2-[(2e,6e,9e,11s)-11-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,9,14-tetraen-1-yl]-6-methylbenzene-1,4-diol
3-({5-[2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentyl}oxy)-3-oxopropanoic acid
(3e,6s)-6-[(1s,3r,7s,8r,11s,12s,15r,16r)-7-hydroxy-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]hept-3-en-2-one
5-{3a,3b,6,6,9a-pentamethyl-7-oxo-1h,2h,3h,4h,5h,5ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-1-yl}-5-methyloxolan-2-one
6,10-dimethyl-5-(6-methylhept-3-en-2-yl)-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadeca-8,18-dien-13-ol
4-hydroxy-9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,3ar,5as,9as,9br,11ar)-1-[(2r,5s,6s)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
(1r,2s,4s,5z,12s,13r,16z)-25-(hydroxymethyl)-11,22-diazapentacyclo[11.11.2.1²,²².0²,¹².0⁴,¹¹]heptacosa-5,16,25-trien-13-ol
10-{4-hydroxy-7-octyl-6,8-dioxabicyclo[3.2.1]octan-5-yl}decanoic acid
(2s,4ar,4br,6ar,12as,12br,14ar)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthene-2,10-diol
(2s,5s,7s,11r,14r,15r)-14-[(2s,3e,5s)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyl-18-oxatetracyclo[8.7.1.0²,⁷.0¹¹,¹⁵]octadeca-1(17),9-dien-5-ol
(2s,4ar,4br,6as,12as,12br,14ar)-1,1,4a,6a,8,12b-hexamethyl-2h,3h,4h,4bh,5h,6h,12h,12ah,13h,14h,14ah-naphtho[2,1-a]xanthene-2,10-diol
(6s,8r,11r,12s,15s,16r)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-[(1s)-1-(methylamino)ethyl]tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadeca-1(18),2-dien-17-one
2-[(3e)-6-(3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-en-1-yl]-2,8-dimethyl-3,4-dihydro-1-benzopyran-6-ol
2-methyl-1-[3,3,7-trimethyl-8,10-bis(3-methylbut-2-en-1-yl)-2-oxatricyclo[5.3.1.0⁴,¹¹]undec-1(10)-en-11-yl]butan-1-one
2-[(1z,3s,6e,10e)-3-hydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol
methyl(1-{6,10,15,19-tetramethyl-17-oxa-19-azapentacyclo[12.8.0.0³,¹¹.0⁶,¹⁰.0¹⁵,²⁰]docosa-1,3-dien-7-yl}ethyl)amine
3-{[(3s)-5-[(1s,2s,4as,5s,8ar)-2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentyl]oxy}-3-oxopropanoic acid
(1r,3ar,7s,9ar,9bs,11ar)-1-[(2r,3e,5r)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthrene-7-peroxol
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,3e,5s)-5,6-dimethylhept-3-en-2-yl]-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-one
4-{3a,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}pent-2-enoic acid
(2r)-2-[(3e,7e,9r)-10-hydroxy-4,8-dimethyl-9-(2-methylprop-1-en-1-yl)deca-3,7-dien-1-yl]-2,8-dimethyl-3,4-dihydro-1-benzopyran-6-ol
n-[(1s,3r,6s,8r,11s,12s,15s,16r)-12,16-dimethyl-15-[(1s)-1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl]-n-methylacetamide
6-[(3e,5e,7e,9e)-2-hydroxy-3,7,12-trimethylpentadeca-3,5,7,9,11,14-hexaen-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol
(2s,2's,8'ar)-2',4'b,7,8',8',10'a-hexamethyl-2',3',4',4'a,5',6',7',8'a,9',10'-decahydro-3h-spiro[1-benzofuran-2,1'-phenanthrene]-5,7'-diol
6,9-epoxy-ergosta-7,22-dien-3-ol
{"Ingredient_id": "HBIN012149","Ingredient_name": "6,9-epoxy-ergosta-7,22-dien-3-ol","Alias": "NA","Ingredient_formula": "C28H44O2","Ingredient_Smile": "CC(C)C(C)C=CC(C)C1CCC2C1(CCC34C2=CC(O3)C5C4(CCC(C5)O)C)C","Ingredient_weight": "412.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7092","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "139587755","DrugBank_id": "NA"}
