Exact Mass: 414.3219
Exact Mass Matches: 414.3219
Found 500 metabolites which its exact mass value is equals to given mass value 414.3219,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diosgenin
Diosgenin is a sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone. It has a role as an apoptosis inducer, an antiviral agent, an antineoplastic agent and a metabolite. It is a 3beta-sterol, a spiroketal, a hexacyclic triterpenoid and a sapogenin. It derives from a hydride of a spirostan. Diosgenin is a natural product found in Ophiopogon intermedius, Dracaena draco, and other organisms with data available. A spirostan found in DIOSCOREA and other plants. The 25S isomer is called yamogenin. Solasodine is a natural derivative formed by replacing the spiro-ring with a nitrogen, which can rearrange to SOLANINE. See also: Fenugreek seed (part of); Dioscorea polystachya tuber (part of). A sapogenin that is spirostan which is substituted by a hydroxy group at the 3beta position, contains a double bond at the 5-6 position, and has R- configuration at position 25. A natural product found in Dioscorea (wild yam) species, it is used as the starting point for the commercial synthesis of a number of steroids, including cortisone, pregnenolone and progesterone. Diosgenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Diosgenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Diosgenin can be found in a number of food items such as carrot, wild carrot, yam, and bitter gourd, which makes diosgenin a potential biomarker for the consumption of these food products. Diosgenin, a phytosteroid sapogenin, is the product of hydrolysis by acids, strong bases, or enzymes of saponins, extracted from the tubers of Dioscorea wild yam, such as the Kokoro. The sugar-free (aglycone) product of such hydrolysis, diosgenin is used for the commercial synthesis of cortisone, pregnenolone, progesterone, and other steroid products . Bottle Name:Diosgenin; Origin: Plant; Formula(Parent): C27H42O3; PRIME Parent Name:Diosgenin; PRIME in-house No.:T0108; SubCategory_DNP: The sterols, Cholestanes Origin: Plant; Formula(Parent): C27H42O3; Bottle Name:Diosgenin; PRIME Parent Name:Diosgenin; PRIME in-house No.:T0108; SubCategory_DNP: The sterols, Cholestanes CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2260 Diosgenin, a steroidal saponin, can inhibit STAT3 signaling pathway[1]. Diosgenin is an exogenous activator of Pdia3/ERp57[2]. Diosgenin inhibits aortic atherosclerosis progression by suppressing macrophage miR-19b expression[5]. Diosgenin, a steroidal saponin, can inhibit STAT3 signaling pathway[1]. Diosgenin is an exogenous activator of Pdia3/ERp57[2]. Diosgenin inhibits aortic atherosclerosis progression by suppressing macrophage miR-19b expression[5].
Yamogenin
Yamogenin is a triterpenoid. Yamogenin is a natural product found in Cordyline australis, Solanum spirale, and other organisms with data available. See also: Dioscorea polystachya tuber (part of). Diosgenin, a steroidal saponin, can inhibit STAT3 signaling pathway[1]. Diosgenin is an exogenous activator of Pdia3/ERp57[2]. Diosgenin inhibits aortic atherosclerosis progression by suppressing macrophage miR-19b expression[5]. Diosgenin, a steroidal saponin, can inhibit STAT3 signaling pathway[1]. Diosgenin is an exogenous activator of Pdia3/ERp57[2]. Diosgenin inhibits aortic atherosclerosis progression by suppressing macrophage miR-19b expression[5].
delta4-Dafachronic acid
CONFIDENCE standard compound; INTERNAL_ID 107
3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
(22alpha)-Hydroxy-campest-4-en-3-one
(22alpha)-Hydroxy-campest-4-en-3-one belongs to the class of organic compounds known as monohydroxy bile acids, alcohols, and derivatives. These are bile acids, alcohols, or any of their derivatives bearing a hydroxyl group. Thus, (22alpha)-hydroxy-campest-4-en-3-one is considered to be a sterol lipid molecule. (22alpha)-Hydroxy-campest-4-en-3-one is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. (22alpha)-Hydroxy-campest-4-en-3-one is involved in the brassinosteroid biosynthesis pathway. (22alpha)-Hydroxy-campest-4-en-3-one is created from either campest-4-en-3-one or 22alpha-hydroxy-campesterol through the actions of steroid 22-alpha-hydroxylase (EC 1.14.13.-) or Sax1, respectively. (22alpha)-Hydroxy-campest-4-en-3-one is then converted into 22alpha-hydroxy-5alpha-campestan-3-one by steroid reductase DET2 (EC 1.3.99.-).
SCHEMBL16431292
13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
10Z,13Z,16Z,19Z,22Z-octacosapentaenoic acid
(25S)-Delta(4)-dafachronic acid
A Delta(4)-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group). Found in Caenorhabditis elegans.
Smilagenone
Smilagenone is found in root vegetables. Smilagenone is a constituent of the wild yam Dioscorea deltoidea. Constituent of the wild yam Dioscorea deltoidea. Smilagenone is found in root vegetables.
Stenocereol
Stenocereol is found in fruits. Stenocereol is a constituent of Stenocereus thurberi (organ pipe cactus) Constituent of Stenocereus thurberi (organ pipe cactus). Stenocereol is found in fruits.
(3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol
(3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol is found in root vegetables. (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol is a constituent of the tubers of Colocasia esculenta (taro). Constituent of the tubers of Colocasia esculenta (taro). (3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol is found in root vegetables.
Ergostane-3,6-dione
Ergostane-3,6-dione is found in date. Ergostane-3,6-dione is a constituent of Phoenix dactylifera (date) Constituent of Phoenix dactylifera (date). Ergostane-3,6-dione is found in date and fruits.
4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol
4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis. It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from 4-alpha-methylzymosterol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis 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. [HMDB] 4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis. It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from 4-alpha-methylzymosterol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis 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.
4alpha-Formyl-5alpha-cholesta-8-en-3beta-ol
4alpha-formyl-5alpha-cholesta-8-en-3beta-ol is a 3-beta-hydroxysterol that is an intermediate in cholesterol biosynthesis II (via 24,25-dihydrolanosterol). It is a substrate for C-4 methyl sterol oxidase (SC4MOL) and can be generated from the enzymatic oxidation of 4alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol or from the enzymatic reduction of 4alpha-carboxy-5alpha-cholesta-8-en-3beta-ol. The sequence of reactions and the types of intermediates in cholesterol biosynthesis II (via 24,25-dihydrolanosterol) 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.
1-Phenyl-1,3-docosanedione
1-Phenyl-1,3-docosanedione is found in fats and oils. 1-Phenyl-1,3-docosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-docosanedione is found in fats and oils.
Setariol
Setariol is found in cereals and cereal products. Setariol is a constituent of the leaves of Setaria italica (foxtail millet). Constituent of the leaves of Setaria italica (foxtail millet). Setariol is found in cereals and cereal products.
4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol
4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol is considered to be practically insoluble (in water) and relatively neutral. 4α-hydroxymethyl-5α-cholesta-8,24-dien-3β-ol is a sterol lipid molecule
DG(8:0/13:0/0:0)
DG(8:0/13:0/0:0) 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(8:0/13:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/13:0)
DG(8:0/0:0/13:0) 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(8:0/i-13:0/0:0)
DG(8:0/i-13:0/0:0) 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(8:0/i-13:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/i-13:0)
DG(8:0/0:0/i-13:0) 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(8:0/a-13:0/0:0)
DG(8:0/a-13:0/0:0) 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(8:0/a-13:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/a-13:0)
DG(8:0/0:0/a-13:0) 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(13:0/8:0/0:0)
DG(13:0/8:0/0:0) 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(13:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(13:0/0:0/8:0)
DG(13:0/0:0/8:0) 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(i-13:0/8:0/0:0)
DG(i-13:0/8:0/0:0) 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(i-13:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(a-13:0/8:0/0:0)
DG(a-13:0/8:0/0:0) 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(a-13:0/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(a-13:0/0:0/8:0)
DG(a-13:0/0:0/8:0) 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.
Docosahexaenoylcholine
Docosahexaenoylcholine, also known as choline docosahexaenoic acid, belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. Docosahexaenoylcholine has been identified in blood (PMID: 31396400).
N-Myristoyl Tryptophan
N-myristoyl tryptophan 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 Myristic acid amide of Tryptophan. 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-Myristoyl Tryptophan 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-Myristoyl Tryptophan 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.
((1R,2R,5R)-2-(2,6-Dimethoxy-4-(2-methyloctan-2-yl)phenyl)-7,7-dimethyl-4-bicyclo(3.1.1)hept-3-enyl) methanol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists
Diosgenin
Diosgenin, a steroidal saponin, can inhibit STAT3 signaling pathway[1]. Diosgenin is an exogenous activator of Pdia3/ERp57[2]. Diosgenin inhibits aortic atherosclerosis progression by suppressing macrophage miR-19b expression[5]. Diosgenin, a steroidal saponin, can inhibit STAT3 signaling pathway[1]. Diosgenin is an exogenous activator of Pdia3/ERp57[2]. Diosgenin inhibits aortic atherosclerosis progression by suppressing macrophage miR-19b expression[5].
1,25-Dihydroxy-16-ene-vitamin D3
25-Hydroxy-24-oxocholecalciferol
Kuguacin C
Kuguacin c is a member of the class of compounds known as oxosteroids. Oxosteroids are steroid derivatives carrying a C=O group attached to steroid skeleton. Kuguacin c is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Kuguacin c can be found in bitter gourd, which makes kuguacin c a potential biomarker for the consumption of this food product.
Esters
Esters is a member of the class of compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Esters is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Esters can be found in pineapple, which makes esters a potential biomarker for the consumption of this food product. In chemistry, an ester is a chemical compound derived from an acid (organic or inorganic) in which at least one ‚ÄìOH (hydroxyl) group is replaced by an ‚ÄìO‚Äìalkyl (alkoxy) group. Usually, esters are derived from a carboxylic acid and an alcohol. Glycerides, which are fatty acid esters of glycerol, are important esters in biology, being one of the main classes of lipids, and making up the bulk of animal fats and vegetable oils. Esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Phosphoesters form the backbone of DNA molecules. Nitrate esters, such as nitroglycerin, are known for their explosive properties, while polyesters are important plastics, with monomers linked by ester moieties . Esters is a member of the class of compounds known as cholesteryl esters. Cholesteryl esters are compounds containing an esterified cholestane moiety. Esters is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Esters can be found in pineapple, which makes esters a potential biomarker for the consumption of this food product. In chemistry, an ester is a chemical compound derived from an acid (organic or inorganic) in which at least one –OH (hydroxyl) group is replaced by an –O–alkyl (alkoxy) group. Usually, esters are derived from a carboxylic acid and an alcohol. Glycerides, which are fatty acid esters of glycerol, are important esters in biology, being one of the main classes of lipids, and making up the bulk of animal fats and vegetable oils. Esters with low molecular weight are commonly used as fragrances and found in essential oils and pheromones. Phosphoesters form the backbone of DNA molecules. Nitrate esters, such as nitroglycerin, are known for their explosive properties, while polyesters are important plastics, with monomers linked by ester moieties .
6beta-Hydroxycampest-4-ene-3-one
6beta-hydroxycampest-4-ene-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 6beta-hydroxycampest-4-ene-3-one can be found in date, which makes 6beta-hydroxycampest-4-ene-3-one a potential biomarker for the consumption of this food product.
Cabralealactone
A tetracyclic triterpenoid isolated from the stems of Aglaia abbreviata.
9-Octadecenoic acid (9Z)-, 2-[2-(2-hydroxyethoxy)ethoxy]ethyl ester
(3beta,7alpha,24R)-Ergosta-5,22-diene-3,7-diol|3beta,7alpha-dihydroxy-24-methyl-cholest-5,22-diene
(6??, 24?鈥?-form-24, 25-Epoxy-6, hydroxycholest-4-en-3-one
(5S)-5-methyl-5-[(5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
24-methylenecholest-5-en-3beta,16beta-diol|24-methylenecholest-5-ene-3beta,16beta-diol
(3S,5Z,7E)-3,25-Dihydroxy-9,10-secocholesta-5,7,10(19)-trien-23-one
3beta-hydroxy-8alpha,9alpha-oxido-8,9-secoergosta-7,22-dien-12-one|tylopiol B
Dehydro-Gamma-Tocopherol
A natural product found in Stemona cochinchinensis and Stemona curtisii.
(3beta,7beta)-Ergosta-5,24(28)-diene-3,7-diol|24-methylene-cholest-5-ene-3beta,7beta-diol|24-methylenecholest-5-ene-3beta,7beta-diol|cholesta-5,24(24)-diene-3beta,7beta-diol|ergosta-5,24(28)-diene-3beta,7beta-diol
(23E)-25-methoxy-cholesta-5,23-dien-3beta-ol|3beta-hydroxy-25-methoxy-(23E)-cholesta-5,23-diene
(3S,5Z,7E)-3,25-Dihydroxy-9,10-secocholesta-5,7,10(19)-trien-24-one
(24S)-24-methylcholest-5,9-diene-1alpha,3beta-diol
rel-2R,3R,5S-trihydroxy-6R-nonadecyltetrahydropyran-4-one
25,26,27-trisnor-3-oxo-lanost-9(11)-en-24-oic acid
(3beta,5alpha,6alpha)-3,6-Dihydroxycholesta-9(11),20(22)-dien-23-one
(8alphaOH)-8,25-Dihydroxy-9,10-secocholesta-4,6,10(19)-trien-3-one
(2aS,3S,6R,7aR,8bR,14aR,14bR,14cR)-icosahydro-3,8b,12,12,14,14b-hexamethyl-11H-3,6-epoxynaphtho[2,1:4,5]indeno[7,1-bc]oxocin-11-one|cylindrictone D
5alpha,8alpha-Epidioxycholesta-6,22-dien-3beta-ol|ergosterol-5,8-endoperoxide
25-hydroxy-ergosta-7,24(28)-dien-3beta-ol|phellinol
cholest-9(11)-en-3alpha-ol-18(21)-olide|sylvestristerol B
cholest-5-en-3alpha-ol-18(21)-olide|sylvestristerol A
3-Oxo-24.25.26.27-tetranor-9alpha-tirucall-7-en-23-saeure-methylester
25,26,27-trisnor-3-ketocycloartan-24-oic acid|3-Oxo-25.26.27-trinor-cycloartansaeure-(24)|3-Oxo-9beta.19-cyclo-25.26.27-trinor-lanostansaeure-(24)|4,4,14-trimethyl-3-oxo-9beta,19-cyclo-5alpha-cholan-24-oic acid|4,4,14-Trimethyl-3-oxo-9beta,19-cyclo-5alpha-cholan-24-saeure
(4R,5S,8S,9S,10S,13S,14R,17R,19E)-22,29,30-trinorshion-19-en-3-one-21-acid|astershionone E
3alpha-hydroxy-25,26,27-trinordammar-22(23)-en-24,20alpha-olide
(+)-(2R,3R,4S,6S)-3-methyl-4,6-di(3-methyl-2-butenyl)-2-(2-methyl-1-oxobutyl)-3-(4-methyl-3-pentenyl)cyclohexanone|hyperscabrin C
(22E,24S),5alpha,8alpha-epidioxy-24-methylchlolesta-6,22-dien-3beta-ol
3beta,24xi-dihydroxy-ergosta-5,25-dienolide|ergosta-5,25-diene-3beta,24xi-diol|physalindicanol B
(3beta,6beta)-Ergosta-4,24(28)-diene-3,6-diol|24-methylenecholest-4-en-3beta,6beta-diol|24-methylenecholest-4-ene-3beta,6beta-diol
1alpha-hydroxycholesterol|24-methylenecholest-5-ene-1alpha,3beta-diol
(22R,23R,24S)-epoxy-22,23-methyl-24-cholestene-5-ol-3beta
5,8alpha-Epidioxy-5alpha-cholesta-6,9(11)-dien-3beta-ol|5alpha,8alpha-Epidioxycholesta-6,9(11)-dien-3beta-ol
3beta,6alpha-Dihydroxy-5alpha-cholesta-9(11),24-dien-23-on|Marthasteron|Marthasterone
(3S,5E,7E,22E)-9,10-Secoergosta-5,7,22-triene-3,25-diol
(22Z)-5alpha,8alpha-epidioxy-24xi-methyl-27-nor-cholesta-6,22-dien-3beta-ol
4alpha-hydroxymethyl-5alpha-cholesta-7,24-dien-3beta-ol
Ala Ile Ile Val
Ala Ile Leu Val
Ala Ile Val Ile
Ala Ile Val Leu
Ala Leu Ile Val
Ala Leu Leu Val
Ala Leu Val Ile
Ala Leu Val Leu
Ala Val Ile Ile
Ala Val Ile Leu
Ala Val Leu Ile
Ala Val Leu Leu
Gly Ile Ile Ile
Gly Ile Ile Leu
Gly Ile Leu Ile
1α-hydroxy-22-oxovitamin D3 / 1α-hydroxy-22-oxocholecalciferol
24,25-epoxy-1α-hydroxyvitamin D3 / 24,25-epoxy-1α-hydroxycholecalciferol
25,26-epoxy-1α-hydroxyvitamin D3 / 25,26-epoxy-1α-hydroxycholecalciferol
(5Z,7E)-(1S,3R)-24,25-epoxy-23,23-dimethyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
25-hydroxy-23-oxovitamin D3 / 25-hydroxy-23-oxocholecalciferol
25-hydroxy-24-oxovitamin D3 / 25-hydroxy-24-oxocholecalciferol
25-hydroxy-1-oxo-3-epiprevitamin D3 / 25-hydroxy-1-oxo-3-epiprecholecalciferol
(5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),25-cholestatetraene-1,3,23-triol
(5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
(5Z,7E,22E)-(1S,3R,24S)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
1α,25-dihydroxy-9,11-didehydrovitamin D3 / 1α,25-dihydroxy-9,11-didehydrocholecalciferol
1α,25-dihydroxy-16,17-didehydrovitamin D3 / 1α,25-dihydroxy-16,17-didehydrocholecalciferol
1α,25-dihydroxy-22,23-didehydrovitamin D3 / 1α,25-dihydroxy-22,23-didehydrocholecalciferol
(5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),23-cholestatetraene-1,3,25-triol
(1S,3R)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol
(1R,3S)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol
(5Z,7E)-(1S,3R,17S,20S)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
(5Z,7E)-(1S,3R,17S,20R)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol
(5Z,7E,22E)-(3S,24S)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol
(5Z,7E)-(1S,3S)-3-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,25-diol
18-(3-Hydroxy-3-methylbutyl)-20-methyl-9,10-secopregna-5,7,10(19),20-tetraene-1,3-diol
HU-308
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
Ergostane-3,6-dione
Stenocereol
Smilagenone
(3beta,5alpha,7alpha)-14-Methylcholesta-9(11),24-diene-3,7-diol
ascr#29
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,16R)-16-hydroxyheptadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#29
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-17-hydroxyheptadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
1alpha-hydroxy-22-oxovitamin D3 / 1alpha-hydroxy-22-oxocholecalciferol
24,25-epoxy-1alpha-hydroxyvitamin D3
25,26-epoxy-1alpha-hydroxyvitamin D3
24,25-epoxy-1alpha-hydroxy-23,23-dimethyl-26,27-dinorvitamin D3
(6E)-(8S)-8,25-dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one
(23S)-1alpha,23-dihydroxy-25,26-didehydrovitamin D3
1alpha,25-dihydroxy-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-9,11-didehydrocholecalciferol
1alpha,25-dihydroxy-16,17-didehydrovitamin D3
1alpha,25-dihydroxy-22,23-didehydrovitamin D3 / 1alpha,25-dihydroxy-22,23-didehydrocholecalciferol
(17S,20S)-1alpha,25-dihydroxy-17,20-methano-21-norvitamin D3
4,4-Diapolycopen-4-al
An apo carotenoid triterpenoid that is 4,4-diapolycopene in which one of the terminal methyl groups has been replaced by a formyl group.
Methenolone Enanthate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
7-Nor-Ergosterolide
A steroid lactone that is a derivative of ergostanoid, isolated from the culture extract of Aspergillus ochraceus.
(2E)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadec-2-enoic acid
(2E,16R)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadec-2-enoic acid
yamogenin
Diosgenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Diosgenin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Diosgenin can be found in a number of food items such as bitter gourd, asparagus, carrot, and wild carrot, which makes diosgenin a potential biomarker for the consumption of these food products. Diosgenin, a phytosteroid sapogenin, is the product of hydrolysis by acids, strong bases, or enzymes of saponins, extracted from the tubers of Dioscorea wild yam, such as the Kokoro. The sugar-free (aglycone) product of such hydrolysis, diosgenin is used for the commercial synthesis of cortisone, pregnenolone, progesterone, and other steroid products .
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide
25-Hydroxy-24-oxocalciol
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
(22E)-(24R)-24,25-dihydroxy-22,23-didehydrovitamin D3/(22E)-(24R)-24,25-dihydroxy-22,23-didehydrocholecalciferol
1alpha,25-dihydroxy-3alpha-methyl-3-deoxyvitamin D3/1alpha,25-dihydroxy-3alpha-methyl-3-deoxycholecalciferol
Delta(7)-dafachronic acid
A member of the class of dafachronic acids that is (5alpha)-3-oxocholest-7-ene in which the methyl group at position 26 has been oxidised to the correponding carboxylic acid. Found in Caenorhabditis elegans.
(1S,2S,4S,5R,6R,7S,8R,9R,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-piperidin-1-ium]-16-ol
(1S,2S,4S,5R,7S,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-ol
(2S,6E)-6-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-2-methylheptanoic acid
(3-Carboxy-2-heptadecanoyloxypropyl)-trimethylazanium
2-hydroxy-6-[(4Z)-4-[(2E)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-3-one
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
[3-Carboxy-2-(3-oxohexadecanoyloxy)propyl]-trimethylazanium
[3-carboxy-2-[(Z)-3-hydroxyhexadec-9-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(15-methylhexadecanoyloxy)propyl]-trimethylazanium
[(2S)-3-carboxy-2-[(Z)-3-hydroxyhexadec-9-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(11-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(14-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(10-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(12-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(8-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(13-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(9-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-methylhexadecanoyloxy)propyl]-trimethylazanium
[3-carboxy-2-[(E)-7-hydroxyhexadec-10-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-hydroxyhexadec-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-9-hydroxyhexadec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-12-hydroxyhexadec-10-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-12-hydroxyhexadec-9-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-4-hydroxyhexadec-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-10-hydroxyhexadec-8-enoyl]oxypropyl]-trimethylazanium
5-[(2E)-2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethyl]-6-methylidenecyclohex-3-ene-1,3-diol
[(E)-2-(carboxymethyl)-2,18-dihydroxy-3-oxooctadec-4-enyl]-trimethylazanium
(25R)-3beta-hydroxycholest-5-en-7-one-26-al
A 26-oxo steroid resulting from the oxidation of (25R)-3beta,26-dihydroxycholest-5-en-7-one to the corresponding aldehyde.
(22E,24R)-ergosta-7,22-diene-3beta,6beta-diol
An ergostanoid that is (22E)-ergosta-7,22-diene substituted by beta-hydroxy groups at positions 3 and 6. It has been isolated from Aspergillus ochraceus.
N-[2-(dimethylamino)ethyl]-2-[(1s,4s,5s)-5-isopropyl-2-methyl-4-{[(phenylcarbamoyl)amino]methyl}-2-cyclohexen-1-yl]acetamide
[3-Carboxy-2-(3-hydroxyhexadec-9-enoyloxy)propyl]-trimethylazanium
3beta,6alpha-dihydroxy-5alpha-cholesta-9(11),24-dien-23-one
2-[(1s,4s,5s)-5-Isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]-n-methyl-n-(3-pyridinylmethyl)acetamide
[(2R)-3-carboxy-2-(3-oxohexadecanoyloxy)propyl]-trimethylazanium
[(2R)-3-carboxy-2-[(Z)-3-hydroxyhexadec-9-enoyl]oxypropyl]-trimethylazanium
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] undecanoate
(1-Hexanoyloxy-3-hydroxypropan-2-yl) pentadecanoate
(1-Butanoyloxy-3-hydroxypropan-2-yl) heptadecanoate
(1-Hydroxy-3-pentanoyloxypropan-2-yl) hexadecanoate
(1-Heptanoyloxy-3-hydroxypropan-2-yl) tetradecanoate
(1-Hydroxy-3-propanoyloxypropan-2-yl) octadecanoate
(5R,6R,9S,13R)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-ol
[1-carboxy-3-[3-[(6E,9E)-dodeca-6,9-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
(25S)-Delta(7)-dafachronic acid
A Delta(7)-dafachronic acid that has S configuration at position 25 (the carbon attached to the carboxy group).
4alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol
4alpha-formyl-5alpha-cholest-8-en-3beta-ol
A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional formyl substituent at position 4alpha.
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] 10-methyldodecanoate
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] tridecanoate
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-22-one
5alpha,9alpha-Epidioxy-cholesta-6,8(14)-dien-3beta-ol
5alpha,8alpha-epidioxy-24-methyl-27-nor-cholest-6,22Z-dien-3beta-ol
solasodine(1+)
A secondary ammonium ion resulting from the protonation of the amino group of solasodine. The major species at pH 7.3.
(13Z,16Z,19Z,22Z,25Z)-octacosapentaenoic acid
A very long-chain omega-3 fatty acid that is octacosanoic acid having five double bonds located at positions 13, 16, 19, 22 and 25 (the 13Z,16Z,19Z,22Z,25Z-isomer).
4-hydroxymethylzymosterol
A 3beta-sterol that is zymosterol which carries a hyroxymethyl group at position 4.
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoic acid
A very long-chain omega-6 fatty acid that is octacosanoic acid having five double bonds located at positions 10, 13, 16, 19 and 22 (the 10Z,13Z,16Z,19Z,22Z-isomer).
4alpha-hydroxymethylzymosterol
A 4-hydroxymethylzymosterol in which the hydroxymethyl group at position 4 has alpha-configuration.
(3r,5as,5br,7as,8s,11as,11br,13r,13as)-8-ethyl-13-hydroxy-3,5b,8,11a,13a-pentamethyl-3h,4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-1-one
6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptan-2-ol
4-(docos-17-en-13,15-diyn-1-yl)-5-(hydroxymethyl)oxolan-2-one
4,6,6-trimethyl-3-(2,6,6-trimethyl-4-{2,6,6-trimethylbicyclo[3.1.1]hepta-1,3-dien-3-yl}bicyclo[3.1.1]hepta-1,3-dien-3-yl)bicyclo[3.1.1]hepta-2,4-dien-2-ol
2-[(7s,9ar,11as)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptan-3-ol
1-(5,6-dimethylheptan-2-yl)-7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-4-one
(1'r,2r,2's,4's,7's,8'r,9's,12's,13's,16'r,18's)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-16'-ol
(1's,2r,2's,4'r,5r,7'r,8'r,9's,12's,13'r,16's)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol
(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl octadeca-9,12-dienoate
(1s,3as,3bs,5as,9ar,9bs,11as)-1-[(2s)-2-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,3h,3ah,3bh,4h,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthrene-2,7-dione
(1s,2r,5r,6r,9r,10r,13s,15s)-5-[(2e,4s)-4,5-dimethylhex-2-en-1-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0¹,⁹.0²,⁶.0¹⁰,¹⁵]nonadec-18-en-13-ol
(5s)-5-[(1s,3ar,3br,5ar,9ar,9bs,11ar)-3a,3b,6,6,9a-pentamethyl-7-oxo-dodecahydrocyclopenta[a]phenanthren-1-yl]-5-methyloxolan-2-one
6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-3-methylideneheptan-4-ol
3-ethyl-6-{7-hydroxy-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}heptan-2-one
5-hydroxy-1-[(2r,4e)-6-hydroxy-6-methylhept-4-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-17'-en-16'-ol
(1r,3as,3bs,7s,9as,9bs,11ar)-9a-(hydroxymethyl)-11a-methyl-1-[(2r)-6-methyl-5-methylideneheptan-2-yl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
22-cyclopentyloxil-22-deisopenty-3β-hydroxyl-furostanol
{"Ingredient_id": "HBIN003689","Ingredient_name": "22-cyclopentyloxil-22-deisopenty-3\u03b2-hydroxyl-furostanol","Alias": "NA","Ingredient_formula": "C27H42O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4524","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
22-cyclopentyloxil-22-deisopentyl-3beta-hydroxyl-guranstanol
{"Ingredient_id": "HBIN003690","Ingredient_name": "22-cyclopentyloxil-22-deisopentyl-3beta-hydroxyl-guranstanol","Alias": "NA","Ingredient_formula": "C27H42O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26060","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
