Exact Mass: 400.3427
Exact Mass Matches: 400.3427
Found 277 metabolites which its exact mass value is equals to given mass value 400.3427,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Calcidiol
Calfcifediol is a prehormone that is produced in the liver by hydroxylation of vitamin D3 (cholecalciferol) by the enzyme cholecalciferol 25-hydroxylase. Calcifediol is then converted in the kidneys into calcitriol (1,25-(OH)2D3), a secosteroid hormone that is the active form of vitamin D. It can also be converted into 24-hydroxycalcidiol in the kidneys via 24-hydroxylation. [Wikipedia]. 25-Hydroxycholecalciferol is found in many foods, some of which are green zucchini, green bell pepper, red bell pepper, and other animal fat. The major circulating metabolite of vitamin D3 (calciferon). It is produced in the liver and is the best indicator of the bodys vitamin D stores. It is effective in the treatment of rickets and osteomalacia, both in azotemic and non-azotemic patients. Calcifediol also has mineralizing properties. A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues H - Systemic hormonal preparations, excl. sex hormones and insulins > H05 - Calcium homeostasis > H05B - Anti-parathyroid agents D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D050071 - Bone Density Conservation Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
7a-Hydroxy-cholestene-3-one
7a-Hydroxy-cholestene-3-one is a metabolite in bile acid synthesis. It is derived from 7a-hydroxy-cholesterol and can be further metabolized to 7a,12a,-dihydroxy-cholest-4-en-3-one. Analysis of 7a-Hydroxycholestene-3-one (HCO) in serum may serve as a novel, simple, and sensitive method for the detection of bile acid malabsorption in patients with chronic diarrhea of unknown origin (PMID 9952217) [HMDB] 7a-Hydroxy-cholestene-3-one is a metabolite in bile acid synthesis. It is derived from 7a-hydroxy-cholesterol and can be further metabolized to 7a,12a,-dihydroxy-cholest-4-en-3-one. Analysis of 7a-Hydroxycholestene-3-one (HCO) in serum may serve as a novel, simple, and sensitive method for the detection of bile acid malabsorption in patients with chronic diarrhea of unknown origin (PMID 9952217).
Gefarnate
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
7-Ketocholesterol
7-Ketocholesterol is a major oxidation product of cholesterol (oxysterol) found in human atherosclerotic plaque and is more atherogenic than cholesterol in some animal studies. Oxysterols (oxygenated forms of cholesterol) are present at low levels in the circulation and accumulate is plasma and tissues in some pathologies. In atherosclerotic lesions, 7-oxygenated oxysterols, predominantly 7-ketocholesterol, accumulate and have been implicated in the pathology of the disease. There is some in vivo and in vitro evidence that sterol 27-hydroxylase acts on 7-ketocholesterol to initiate its degradation to more polar, water-soluble products. Recent studies indicate an alternative mechanism, in which 7-ketocholesterol is reduced to 7 beta-hydroxycholesterol by 11 beta-hydroxysteroid dehydrogenase type 1. 7-Ketocholesterol can inhibit cholesterol 7 alpha-hydroxylase, the rate-limiting step in bile acid biosynthesis, as well as strongly inhibiting HMG-CoA reductase, the rate-limiting enzyme in cholesterol biosynthesis. It has even been suggested that 7-ketocholesterol is formed enzymically as an endogenous regulator of cholesterol biosynthesis. However, when tested as a pharmacological cholesterol-lowering agent, inhibition of HMG-CoA reductase was rapidly overcome and the 7-ketocholesterol metabolised. In vitro, 7-ketocholesterol has wide-ranging and potent effects, most of which have the potential to contribute to atherosclerosis. For example, 7-ketocholesterol can be cytotoxic and can induce apoptosis in vascular cells. These effects, either individually or more likely, in combination, all implicate 7-ketocholesterol in the initiation and development of atherosclerosis, but further work is needed to establish whether or not its role is a direct causal one. 7-Ketocholesterol is the second most abundant oxysterol found in human atherosclerotic plaque, after the enzymically formed 27-hydroxycholesterol (cholest-5-ene-3beta,27-diol). 7-Ketocholesterol differs from cholesterol by a ketone functional group present at the 7-position. It is produced from cholesterol via the epimeric cholesterol 7-hydroperoxides (cholest-5-ene-3beta-ol-7-hydroperoxide) which decompose to the epimeric 7-hydroxycholesterols (cholest-5-ene-3beta,7-diol) and 7-ketocholesterol. 7-Ketocholesterol is a major dietary oxysterol. It has also been widely suggested that 7-ketocholesterol present in atherosclerotic tissue may be derived from the diet. Certainly, 7-ketocholesterol is a major oxysterol found in cholesterol-rich processed foodstuffs. Dietary 7-ketocholesterol is rapidly metabolised by the liver to 7beta-hydroxycholesterol (cholest-5-ene-3beta,7beta-diol), unusual bile acids and perhaps even cholesterol itself. Its conversion to 7beta-hydroxycholesterol is well documented. (PMID: 15798369, 10224662). 7-Ketocholesterol is a major oxidation product of cholesterol (oxysterol) found in human atherosclerotic plaque and is more atherogenic than cholesterol in some animal studies. Oxysterols (oxygenated forms of cholesterol) are present at low levels in the circulation and accumulate is plasma and tissues in some pathologies. In atherosclerotic lesions, 7-oxygenated oxysterols, predominantly 7-ketocholesterol, accumulate and have been implicated in the pathology of the disease. There is some in vivo and in vitro evidence that sterol 27-hydroxylase acts on 7-ketocholesterol to initiate its degradation to more polar, water-soluble products. Recent studies indicate an alternative mechanism, in which 7-ketocholesterol is reduced to 7 beta-hydroxycholesterol by 11 beta-hydroxysteroid dehydrogenase type 1. 7-Ketocholesterol, toxic oxysterol, inhibits the rate-limiting step in bile acid biosynthesis cholesterol 7 alpha-hydroxylase, as well as strongly inhibiting HMG-CoA reductase (the rate-limiting enzyme in cholesterol biosynthesis). 7-Ketocholesterol induces cell apoptosis[1].
5-Methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone
5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone is found in alcoholic beverages. 5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone is a constituent of Hypericum perforatum (St. Johns Wort) Constituent of Hypericum perforatum (St. Johns Wort). 5-methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone is found in tea, alcoholic beverages, and herbs and spices.
(3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol
(3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol is found in fruits. (3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol is a constituent of Stenocereus thurberi (organ pipe cactus) Constituent of Stenocereus thurberi (organ pipe cactus). (3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol is found in fruits.
5,6-trans-25-Hydroxyvitamin D3
5,6-trans-25-Hydroxyvitamin D3 is a vitamin D3 derivative, and is found in normal plasma. 5,6-trans-25-Hydroxyvitamin D3 is a 25-hydroxylated metabolite of the secosteroid that is active in inhibiting 3H-thymidine incorporation into cultured normal human keratinocytes. The evidence strongly supports the existence of a heretofore unknown metabolic route in vitamin DS metabolism, namely, the conversion of 5,6-cis compounds to 5,6-trans compounds. The mechanism of this transformation is not clear at present; it could be enzymatic or nonenzymatic. The site of formation of 5,6-trans-25-hydroxyvitamin D3 is unknown. (PMID 6256855, 10876100, 6270082) [HMDB] 5,6-trans-25-Hydroxyvitamin D3 is a vitamin D3 derivative, and is found in normal plasma. 5,6-trans-25-Hydroxyvitamin D3 is a 25-hydroxylated metabolite of the secosteroid that is active in inhibiting 3H-thymidine incorporation into cultured normal human keratinocytes. The evidence strongly supports the existence of a heretofore unknown metabolic route in vitamin DS metabolism, namely, the conversion of 5,6-cis compounds to 5,6-trans compounds. The mechanism of this transformation is not clear at present; it could be enzymatic or nonenzymatic. The site of formation of 5,6-trans-25-hydroxyvitamin D3 is unknown. (PMID 6256855, 10876100, 6270082).
25-Hydroxytachysterol3
25-Hydroxytachysterol3 is a hydroxylated derivative of tachysterol3. 25-hydroxytachysterol is converted to 25-hydroxyprevitamin D3, which is then converted to the hydroxyvitamin D3 through a thermally induced rearrangement. It is now established that, during exposure to sunlight, the cutaneous reservoir of 7-dehydrocholesterol converts to previtamin D3. Once this thermally labile previtamin is formed, it undergoes a temperature-dependent isomerization to vitamin D3 over a period of 3 days. The plasma vitamin-D binding protein preferentially translocates vitamin D3 from the skin into the circulation. During prolonged exposure to the sun, the accumulation of previtamin D3 is limited to about 10 to 15\\% of the original 7-dehydrocholesterol content because the previtamin photoisomerizes to 2 biologically inert photoproducts, lumisterol3 and tachysterol3. (PMID 12617640). 25-Hydroxytachysterol3 is characterized by antirachitic activity and by its ability to elevate serum calcium concentration in conditions of hypoparathyroidism. 25-Hydroxytachysterol3 can be used in the preparation of 25-hydroxydihydrotachysterol 3 (25-OH-DHT3) is considered an effective adjunct in the treatment of hypoparathyroidism, particularly where rapid action in elevating serum calcium concentration is being sought. (25-OH-DHT3) exhibits substantially greater antirachitic activity than DHT 3 [HMDB] 25-Hydroxytachysterol3 is a hydroxylated derivative of tachysterol3. 25-hydroxytachysterol is converted to 25-hydroxyprevitamin D3, which is then converted to the hydroxyvitamin D3 through a thermally induced rearrangement. It is now established that, during exposure to sunlight, the cutaneous reservoir of 7-dehydrocholesterol converts to previtamin D3. Once this thermally labile previtamin is formed, it undergoes a temperature-dependent isomerization to vitamin D3 over a period of 3 days. The plasma vitamin-D binding protein preferentially translocates vitamin D3 from the skin into the circulation. During prolonged exposure to the sun, the accumulation of previtamin D3 is limited to about 10 to 15\\% of the original 7-dehydrocholesterol content because the previtamin photoisomerizes to 2 biologically inert photoproducts, lumisterol3 and tachysterol3. (PMID 12617640). 25-Hydroxytachysterol3 is characterized by antirachitic activity and by its ability to elevate serum calcium concentration in conditions of hypoparathyroidism. 25-Hydroxytachysterol3 can be used in the preparation of 25-hydroxydihydrotachysterol 3 (25-OH-DHT3) is considered an effective adjunct in the treatment of hypoparathyroidism, particularly where rapid action in elevating serum calcium concentration is being sought. (25-OH-DHT3) exhibits substantially greater antirachitic activity than DHT 3.
Alfacalcidol
Alfacalcidol is an active metabolite of Vitamin D, which performs important functions in regulation of the calcium balance and the bone metabolism. Alfacalcidol is Vitamin D-hormone analog which is activated by the enzyme 25-hydroxylase in the liver for systemic and in osteoblasts for local D-hormone actions. It possesses a unique pattern of pleiotropic effects on, e.g. gut, bone, pararthyroids, muscle and brain. Alfacalcidol is superior to plain vitamin D (cholecalciferol) because the final kidney activation of the latter is regulated by a negative feedback mechanism. (PMID:17438884,17668216). A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D050071 - Bone Density Conservation Agents
1-Phenyl-1,3-heneicosanedione
1-Phenyl-1,3-heneicosanedione is found in fats and oils. 1-Phenyl-1,3-heneicosanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-heneicosanedione is found in fats and oils.
5-(12,15-Heneicosadienyl)-1,3-benzenediol
5-(12,15-Heneicosadienyl)-1,3-benzenediol is found in cereals and cereal products. 5-(12,15-Heneicosadienyl)-1,3-benzenediol is a constituent of wheat and rye flour. Constituent of wheat and rye flour. 5-(12,15-Heneicosadienyl)-1,3-benzenediol is found in cereals and cereal products.
3beta-Hydroxy-5-cholestenal
This compound belongs to the family of Monohydroxy Bile Acids, Alcohols and Derivatives. These are bile acids, alcohols or any of their derivatives bearing an hydroxyl group.
27alpha-Hydroxy-8-dehydrocholesterol
This compound belongs to the family of Dihydroxy Bile Acids, Alcohols and Derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups.
(1R,3Z)-3-[(2E)-2-[(1R,3As,7aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
(1R)-3-[2-[(1R,3Ar,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
(1R)-5-[2-[(1R,7Ar)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
(20S)-Hydroxyvitamin D3
22-Oxocholesterol
24,25-Epoxycholesterol
3-Hydroxycholest-5-en-7-one
3-Hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
Cholestane-2,3-dione
hydroxyvitamin d3
ketocholesterol
Sapogenins
Any of the aglycon moieties of saponins; they may be steroids or triterpenes. (ChEBI) Sapogenins are the aglycones, or non-saccharide, portions of the family of natural products known as saponins. Sapogenins contain steroid or other triterpene frameworks as their key organic feature. Sapogenins is found in soft-necked garlic. Any of the aglycon moieties of saponins; they may be steroids or triterpenes. (ChEBI)
(22E)-3beta,7alpha-dihydroxy-cholest-5,22-diene|(3beta,7alpha,22E)-Cholesta-5,22-diene-3,7-diol
24-keto-cholesterol|24-Ketocholesterol|24-oxocholesterol|3beta-hydroxycholest-5-en-24-one|cholest-5-en-3beta-ol-24-one|ZK134306
24(R)-cholesta-5,25-diene-3beta,24-diol|cholesta-5,25-diene-3beta,24xi-diol|cholesta-5,25-diene-3beta-24-diol
3beta-Dimethylamino-20alpha(F)-methylacetamido-5-pregnen|saracocine|saracosine
4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
25-hydroxy-4-cholesten-3-one|25-hydroxy-4-cholestene-3-one|25-Hydroxy-cholest-4-en-3-on|25-hydroxy-cholest-4-en-3-one|25-Hydroxycholest-4-en-3-one|ZK134308
6beta-Hydroxy-cholest-4-en-3-on|6beta-hydroxy-cholest-4-en-3-one|6beta-hydroxycholest-4-en-3-one|cholest-4-en-6beta-ol-3-one
25,26,27-trisnor-3beta-hydroxy-cycloartan-24-al|25,26,27-trisnor-3beta-hydroxycycloartan-24-al|wrightial
(3beta, 5alpha, 7alpha, 22E)-Cholesta-8(14), 22-diene-3, 7-diol
MLS001333092-01!5-Cholesten-3beta-ol-7-one566-28-9
7-KETOCHOLESTEROL
A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7. D004791 - Enzyme Inhibitors 7-Ketocholesterol, toxic oxysterol, inhibits the rate-limiting step in bile acid biosynthesis cholesterol 7 alpha-hydroxylase, as well as strongly inhibiting HMG-CoA reductase (the rate-limiting enzyme in cholesterol biosynthesis). 7-Ketocholesterol induces cell apoptosis[1].
Calcifediol
A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues H - Systemic hormonal preparations, excl. sex hormones and insulins > H05 - Calcium homeostasis > H05B - Anti-parathyroid agents D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D050071 - Bone Density Conservation Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1α-hydroxyvitamin D3 / 1α-hydroxycholecalciferol
1α-hydroxy-3-epivitamin D3 / 1α-hydroxy-3-epicholecalciferol
(5E)-1α-hydroxyvitamin D3 / (5E)-1α-hydroxycholecalciferol
(5E,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
1β-hydroxyvitamin D3 / 1β-hydroxycholecalciferol
1β-hydroxy-3-epivitamin D3 / 1β-hydroxy-3-epicholecalciferol
(5E)-1β-hydroxyvitamin D3 / (5E)-1β-hydroxycholecalciferol
(5E,7E)-(1R,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
2β-hydroxyvitamin D3 / 2β-hydroxycholecalciferol
1α,25-dihydroxy-3-deoxyvitamin D3 / 1α,25-dihydroxy-3-deoxycholecalciferol
(22S)-22-hydroxyvitamin D3 / (22S)-22-hydroxycholecalciferol
(24R)-24-hydroxyvitamin D3 / (24R)-24-hydroxycholecalciferol
(24S)-24-hydroxyvitamin D3 / (24S)-24-hydroxycholecalciferol
25-hydroxy-14-epivitamin D3 / 25-hydroxy-14-epicholecalciferol
5,6-trans-25-Hydroxyvitamin D3
22-Hydroxyvitamin D3
D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
Alfacalcidol
A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D050071 - Bone Density Conservation Agents
5-Methyl-2,4-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxopropyl)-5-(4-methyl-3-pentenyl)cyclohexanone
1alpha-hydroxyvitamin D3 / 1alpha-hydroxycholecalciferol
1alpha-hydroxy-3-epivitamin D3 / 1alpha-hydroxy-3-epicholecalciferol
(5E)-1alpha-hydroxyvitamin D3 / (5E)-1alpha-hydroxycholecalciferol
(5E)-1alpha-hydroxy-3-epivitamin D3 / (5E)-1alpha-hydroxy-3-epicholecalciferol
1beta-hydroxyvitamin D3 / 1beta-hydroxycholecalciferol
1beta-hydroxy-3-epivitamin D3 / 1beta-hydroxy-3-epicholecalciferol
(5E)-1beta-hydroxyvitamin D3 / (5E)-1beta-hydroxycholecalciferol
(5E)-1beta-hydroxy-3-epivitamin D3 / (5E)-1beta-hydroxy-3-epicholecalciferol
2alpha-hydroxyvitamin D3 / 2alpha-hydroxycholecalciferol
2beta-hydroxyvitamin D3 / 2beta-hydroxycholecalciferol
1alpha,25-dihydroxy-3-deoxyvitamin D3 / 1alpha,25-dihydroxy-3-deoxycholecalciferol
calcidiol
A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3.
Dedrogyl
A - Alimentary tract and metabolism > A11 - Vitamins > A11C - Vitamin a and d, incl. combinations of the two > A11CC - Vitamin d and analogues H - Systemic hormonal preparations, excl. sex hormones and insulins > H05 - Calcium homeostasis > H05B - Anti-parathyroid agents D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols D050071 - Bone Density Conservation Agents
Colestolone
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D009676 - Noxae > D000963 - Antimetabolites
(22S)-22-hydroxyvitamin D3/(22S)-22-hydroxycholecalciferol
25-Hydroxycholest-4-en-3-one
A cholestanoid that is cholest-4-en-3-one which carries a hydroxy group at position 25.
(25R)-3beta-hydroxycholest-5-en-26-al
A 3beta-hydroxycholest-5-en-26-al in which the stereocentre at position 25 has R-configuration.
(4E)-4-[(2Z)-2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-2-ol
[(S)-3-Carboxylato-2-(palmitoyloxy)propyl]trimethylaminium
[3-Carboxy-2-(14-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(12-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(9-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(11-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(8-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(13-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-methylpentadecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(10-methylpentadecanoyloxy)propyl]-trimethylazanium
(3Z)-3-[(2E)-2-[1-(7-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
(3Z)-3-[(2E)-2-[1-(2-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
(20S)-Hydroxyvitamin D3
A hydroxycalciol that consists of vitamin D3 (calciol) carrying an additional hydroxy group at position 20 with S-configuration. D018977 - Micronutrients > D014815 - Vitamins > D006887 - Hydroxycholecalciferols
3beta-Hydroxycholest-5-en-26-al
A 26-oxo steroid resulting from the oxidation of one of the terminal methyl groups of cholesterol to the corresponding aldehyde.
(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
2-[(3S)-3-acetyloxyhexadecanoyl]oxyethyl-trimethylazanium
2-(Trimethylsilyloxy)nonadecanoic acid methyl ester
Ethyl (4AS,5S,8AS)-E-(+)-3-methyl-5-((5alpha-(4-methyl-3-pentenyl)-2,5beta,8abeta-trimethyl-3,4,4A,5,6,7,8,8A-octahydronaphthalenyl)-2-pentenoate
(3beta,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-3,25-diol
cholesta-5,7-dien-3beta,25-diol
A cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 25.
(24Z),26-hydroxydesmosterol
A cholestanoid that is desmosterol carrying an additional hydroxy susbstituent at position 26.
cholesta-5,7-dien-3beta,24S-diol
A cholestanoid that is 7-dehydrocholesterol carrying an additional hydroxy substituent at position 24 (24S-stereoisomer).
7alpha-Hydroxycholest-4-en-3-one
A cholestanoid consisting of a cholesterol core having an oxo group at the 3-position, a C=C bond at the 4,5-position and an alpha-hydroxy group at the 7-position.
(1r,3ar,3bs,5r,9ar,9bs,11ar)-1-[(2r,5r)-5-ethyl-6-methylheptan-2-yl]-5-hydroxy-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-7-one
(4e,8e,12e,16e)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
(1s)-3-{2-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-hexahydro-1h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,5s)-5-hydroxy-6-methylhept-6-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
(2s)-2,8-dimethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]chromen-6-ol
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,5r)-5-hydroxy-6-methylhept-6-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
16-(1-aminoethyl)-6-(dimethylamino)-7,7,13,18-tetramethyltetracyclo[9.7.0.0³,⁸.0¹³,¹⁷]octadeca-1,3-dien-15-ol
1-(5-ethyl-6-methylheptan-2-yl)-7-hydroxy-1h,2h,3h,3ah,3bh,6h,7h,8h,9h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-one
n-[(1s)-1-[(1s,3as,3bs,7r,9ar,9bs,11as)-7-(dimethylamino)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-n-methylacetamide
2-methyl-6-[(2e,7r,11r)-3,7,11,15-tetramethylhexadec-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
(1r,3as,3bs,7s,9ar,9bs,11ar)-1-[(2r,4e)-6-hydroxy-6-methylhept-4-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol
n-[(1r)-1-[(1r,3ar,3br,7s,9as,9br,11as)-7-(dimethylamino)-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-n-methylacetamide
(2r,3r,4s,6s)-3-methyl-4,6-di(3-methyl-2-butenyl)-2-(2-methyl-1-oxopropyl)-3-(4-meth-yl-3-pentenyl)-cyclohexanone
{"Ingredient_id": "HBIN006443","Ingredient_name": "(2r,3r,4s,6s)-3-methyl-4,6-di(3-methyl-2-butenyl)-2-(2-methyl-1-oxopropyl)-3-(4-meth-yl-3-pentenyl)-cyclohexanone","Alias": "NA","Ingredient_formula": "C27H44O2","Ingredient_Smile": "CC(C)C(=O)C1C(=O)C(CC(C1(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14315","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
abricin
{"Ingredient_id": "HBIN014233","Ingredient_name": "abricin","Alias": "NA","Ingredient_formula": "C27H44O2","Ingredient_Smile": "NA","Ingredient_weight": "400.64","OB_score": "40.7324","CAS_id": "73030-55-4","SymMap_id": "SMIT09065","TCMID_id": "NA","TCMSP_id": "MOL007682","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
