Exact Mass: 330.2406
Exact Mass Matches: 330.2406
Found 500 metabolites which its exact mass value is equals to given mass value 330.2406,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Deoxycorticosterone
11-Deoxycorticosterone (also called desoxycortone, 21-hydroxyprogesterone, DOC, or simply deoxycorticosterone) is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as a precursor to aldosterone. It is classified as a member of the 21-hydroxysteroids. 21-hydroxysteroids are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Deoxycorticosterone is very hydrophobic, practically insoluble (in water), and relatively neutral. Deoxycorticosterone can be synthesized from progesterone by 21-beta-hydroxylase and is then converted to corticosterone by 11-beta-hydroxylase. Corticosterone is then converted to aldosterone by aldosterone synthase. Deoxycorticosterone stimulates the collecting tubules in the kidney to continue to excrete potassium in much the same way that aldosterone does. Deoxycorticosterone has about 1/20 of the sodium retaining power of aldosterone and about 1/5 the potassium excreting power of aldosterone (Wikipedia). Deoxycorticosterone can be found throughout all human tissues and has been detected in amniotic fluid and blood. When present in sufficiently high levels, deoxycorticosterone can act as a hypertensive agent and a metabotoxin. A hypertensive agent increases blood pressure and causes the production of more urine. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of deoxycorticosterone are associated with congenital adrenal hyperplasia (CAH) and with adrenal tumors producing deoxycorticosterone (PMID: 20671982). High levels of this mineralocorticoid are associated with resistant hypertension, which can result in polyuria, polydipsia, increased blood volume, edema, and cardiac enlargement. Deoxycorticosterone can be used to treat adrenal insufficiency. In particular, desoxycorticosterone acetate (DOCA) is used as replacement therapy in Addisons disease. Desoxycorticosterol, also known as 21-hydroxy-4-pregnene-3,20-dione or 21-hydroxyprogesterone, is a member of the class of compounds known as 21-hydroxysteroids. 21-hydroxysteroids are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. Thus, desoxycorticosterol is considered to be a steroid lipid molecule. Desoxycorticosterol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Desoxycorticosterol can be synthesized from progesterone. Desoxycorticosterol can also be synthesized into 11-deoxycorticosterone-21-hemisuccinate and 5beta-dihydrodeoxycorticosterone. Desoxycorticosterol can be found in rice, which makes desoxycorticosterol a potential biomarker for the consumption of this food product. Desoxycorticosterol can be found primarily in amniotic fluid and blood, as well as throughout all human tissues. In humans, desoxycorticosterol is involved in the steroidogenesis. Desoxycorticosterol is also involved in several metabolic disorders, some of which include corticosterone methyl oxidase I deficiency (CMO I), 21-hydroxylase deficiency (CYP21), corticosterone methyl oxidase II deficiency - CMO II, and 11-beta-hydroxylase deficiency (CYP11B1). Desoxycorticosterol is a non-carcinogenic (not listed by IARC) potentially toxic compound. CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9329 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9427; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9356; ORIGINAL_PRECURSOR_SCAN_NO 9353 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9399; ORIGINAL_PRECURSOR_SCAN_NO 9396 CONFIDENCE standard compound; INTERNAL_ID 793; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9378; ORIGINAL_PRECURSOR_SCAN_NO 9376 H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D008901 - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor. Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor.
Testosterone Acetate
Testosterone Acetate, also known as 17b-Hydroxyandrost-4-en-3-one acetic acid or 17beta-Acetoxy-4-androsten-3-one, is classified as a member of the Steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Testosterone Acetate is considered to be practically insoluble (in water) and basic. Testosterone Acetate is a steroid lipid molecule D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-Hydroxyprogesterone
17-Hydroxyprogesterone also known as 17-OH progesterone (17-OHP), or hydroxyprogesterone (OHP), is an endogenous progestogen steroid hormone related to progesterone. Formally it is a 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. 17-Hydroxyprogesterone is found in all vertebrates. It is a chemical intermediate in the biosynthesis of many endogenous steroids, including androgens, estrogens, glucocorticoids, mineralocorticoids and neurosteroids. In particular, 17-Hydroxyprogesterone serves as an intermediate in the biosynthesis of hydrocortisone and gonadal steroid hormones. It is derived from progesterone via the enzyme known as 17-hydroxylase, a cytochrome P450 enzyme also known as CYP17A1. It can also be biosynthesized from 17-hydroxypregnenolone via the enzyme 3beta-hydroxysteroid dehydrogenase/delta5-4 isomerase (PMID: 1955079). 17-OHP is an agonist of the progesterone receptor (PR). It is also an antagonist of the mineralocorticoid receptor (MR) as well as a partial agonist of the glucocorticoid receptor (GR). 17-Hydroxyprogesterone is a natural progestin and in pregnancy it increases in the third trimester primarily due to fetal adrenal production. 17-Hydroxyprogesterone is primarily produced in the adrenal glands and to some degree in the gonads, specifically the corpus luteum of the ovary. Normal levels are 3-90 ng/dl in children, and in women, 15-70 ng/dl prior to ovulation, and 35-290 ng/dl during the luteal phase. Measurements of levels of 17-hydroxyprogesterone are useful in the evaluation of patients with suspected congenital adrenal hyperplasia as the typical enzymes that are defective, namely 21-hydroxylase, lead to a build-up of 17-OHP. 17-OHP levels can also be used to measure contribution of progestational activity of the corpus luteum during pregnancy as progesterone but not 17-OHP is also contributed by the placenta. It serves as an intermediate in the biosynthesis of hydrocortisone and gonadal steroid hormones. It is derived from progesterone via 17-hydroxylase, a P450c17 enzyme, or from 17-hydroxypregnenolone via 3β-hydroxysteroid dehydrogenase/Δ5-4 isomerase. 17-Hydroxyprogesterone is a natural progestin and in pregnancy increases in the third trimester primarily due to fetal adrenal production. CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9336; ORIGINAL_PRECURSOR_SCAN_NO 9331 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9427; ORIGINAL_PRECURSOR_SCAN_NO 9423 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9371; ORIGINAL_PRECURSOR_SCAN_NO 9370 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9329 CONFIDENCE standard compound; INTERNAL_ID 1144; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9378; ORIGINAL_PRECURSOR_SCAN_NO 9376 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
Clupanodonic acid
Docosapentaenoic acid (also known as clupanodonic acid) is an essential omega-3 fatty acid (EFA) which is prevalent in fish oils. Docosapentaenoic acid, commonly called DPA, is an intermediary between eicosapentaenoic acid (EPA, 20:5 ω-3) and docosahexaenoic acid (DHA, 22:6 ω-3). Seal oil is a rich source. There are three functions of docosapentaenoic acid. The most important is as part of phospholipids in all animal cellular membranes: a deficiency of docosapentaenoic acid leads to faulty membranes being formed. A second is in the transport and oxidation of cholesterol: clupanodonic acid tends to lower plasma cholesterol. A third function is as a precursor of prostanoids which are only formed from docosapentaenoic acid. Deficiency of this in experimental animals causes lesions mainly attributable to faulty cellular membranes: sudden failure of growth, lesions of skin and kidney and connective tissue, erythrocyte fragility, impaired fertility, uncoupling of oxidation and phosphorylation. In man pure deficiency of docosapentaenoic acid has been studied particularly in persons fed intravenously. A relative deficiency (that is, a low ratio in the body of docosapentaenoic to long-chain saturated fatty acids and isomers of docosapentaenoate) is common on Western diets and plays an important part in the causation of atherosclerosis, coronary thrombosis, multiple sclerosis, the triopathy of diabetes mellitus, hypertension and certain forms of malignant disease. Various factors affect the dietary requirement of docosapentaenoic acid. (PMID: 6469703) [HMDB]. 7Z,10Z,13Z,16Z,19Z-Docosapentaenoic acid is found in many foods, some of which are green zucchini, green bell pepper, green bean, and red bell pepper. Docosapentaenoic acid (22n-3) (also known as clupanodonic acid) is an essential omega-3 fatty acid (EFA) which is prevalent in fish oils. Docosapentaenoic acid, commonly called DPA, is an intermediary between eicosapentaenoic acid (EPA, 20:5 ω-3) and docosahexaenoic acid (DHA, 22:6 ω-3). Seal oil is a rich source of this metabolite. There are three functions of docosapentaenoic acid. Most importantly, it is a component of phospholipids found in all animal cell membranes, and a deficiency of docosapentaenoic acid leads to faulty membranes being formed. Secondly, it is involved in the transport and oxidation of cholesterol, and clupanodonic acid tends to lower plasma cholesterol. A third function is as a precursor of prostanoids which are only formed from docosapentaenoic acid. Deficiency of this in experimental animals causes lesions mainly attributable to faulty cellular membranes. Outcomes include sudden failure of growth, lesions of the skin, kidney, and connective tissue, erythrocyte fragility, impaired fertility, and the uncoupling of oxidation and phosphorylation. In humans, pure deficiency of docosapentaenoic acid has been studied particularly in persons fed intravenously. A relative deficiency (that is, a low ratio in the body of docosapentaenoic to long-chain saturated fatty acids and isomers of docosapentaenoate) is common in Western diets and plays an important part in the causation of atherosclerosis, coronary thrombosis, multiple sclerosis, the triopathy of diabetes mellitus, hypertension, and certain forms of malignant disease. Various factors affect the dietary requirement of docosapentaenoic acid (PMID: 6469703). Docosapentaenoic acid (22n-3) is a component of phospholipids found in all animal cell membranes.
9,12,13-TriHOME
9,12,13-TriHOME is a trihydroxyoctadecenoic acid metabolite of linoleic acid, one of the major fatty acids found in lipids. Vascular tissue converts various polyunsaturated fatty acids to monohydroxy and trihydroxy metabolites derived from hydroperoxides which may be involved in regulating prostaglandin synthesis. The absolute amounts of 9,12,13-TriHOME varies considerably from one species to another. There are several possible mechanisms for the formation of esterified oxygenated polyunsaturated fatty acids: oxygenated and then incorporated into lipids, not well incorporated into either vascular endothelial or smooth muscle cells, or could accumulated in lipids either due to autoxidation in vivo or to the action of an enzyme similar to Iipoxygenase. (PMID: 3997883, 6414520) [HMDB] 9,12,13-TriHOME is a trihydroxyoctadecenoic acid metabolite of linoleic acid, one of the major fatty acids found in lipids. Vascular tissue converts various polyunsaturated fatty acids to monohydroxy and trihydroxy metabolites derived from hydroperoxides which may be involved in regulating prostaglandin synthesis. The absolute amounts of 9,12,13-TriHOME varies considerably from one species to another. There are several possible mechanisms for the formation of esterified oxygenated polyunsaturated fatty acids: oxygenated and then incorporated into lipids, not well incorporated into either vascular endothelial or smooth muscle cells, or could accumulated in lipids either due to autoxidation in vivo or to the action of an enzyme similar to Iipoxygenase. (PMID: 3997883, 6414520). Pinellic acid is a trihydroxyoctadecenoic acid with hydroxy groups at positions C-9, -12, and 13, and an E (cis) double bond at position 10. It has a role as an adjuvant and an anti-inflammatory agent. It is functionally related to a 13(S)-HPODE. Pinellic acid is a natural product found in Pinellia ternata, Bupleurum falcatum, and other organisms with data available. A trihydroxyoctadecenoic acid with hydroxy groups at positions C-9, -12, and 13, and an E (cis) double bond at position 10.
9,10,13-TriHOME
9,10,13-TriHOME is a trihydroxyoctadecenoic acid metabolite of linoleic acid, one of the major fatty acids found in lipids. Vascular tissue converts various polyunsaturated fatty acids to monohydroxy and trihydroxy metabolites derived from hydroperoxides which may be involved in regulating prostaglandin synthesis. [HMDB] 9,10,13-TriHOME is a trihydroxyoctadecenoic acid metabolite of linoleic acid, one of the major fatty acids found in lipids. Vascular tissue converts various polyunsaturated fatty acids to monohydroxy and trihydroxy metabolites derived from hydroperoxides which may be involved in regulating prostaglandin synthesis.
11a-Hydroxyprogesterone
Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. -- Wikipedia; Progesterones reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. -- Wikipedia; During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus. -- Wikipedia [HMDB] Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. Progesterones reproductive function serves to convert the endometrium to its secretory stage to prepare the uterus for implantation. If pregnancy does not occur, progesterone levels will decrease leading to menstruation in the human. Normal menstrual bleeding is a progesterone withdrawal bleeding. During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine musculature. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition, progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone has an effect upon vaginal epithelium and cervical mucus. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
16alpha-hydroxyprogesterone
ST 21:3;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins 11beta-Hydroxyprogesterone is a potent inhibitors of 11β-Hydroxysteroid dehydrogenase; also activates human mineralocorticoid receptor in COS-7 cells with an ED50 of 10 nM.
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16beta,17beta-diol
17beta-Hydroxy-A-norandrost-3(5)-en-2-one propionate
Jasmolin I
11beta-Hydroxyprogesterone
11beta-Hydroxyprogesterone is a normal human metabolite. Plasma 11beta-Hydroxyprogesterone concentrations does not vary significantly as a function of age, sex, or phase of the menstrual cycle, in contrast to 17-hydroxyprogesterone. Increased plasma 11beta-Hydroxyprogesterone levels in late-onset adrenal 21-hydroxylase deficiency suggest a mild defect of the mineralocorticoid pathway. 21-hydroxylase deficiency (OMIM 201910) is probably the most frequent (if not the most frequent) autosomal recessive genetic disease, occurring in almost 1\\\% of Caucasians and about 3\\\% of Ashkenazi Jews. 21-hydroxylase deficiency is unusual among genetic diseases in that approximately 95\\\% of the mutant alleles have apparently been generated by recombination between a normally active gene (CYP21) and a closely linked pseudogene (CYP21P). There are 4 recognized clinical forms of congenital adrenal hyperplasia, the majority of cases being associated with 21-hydroxylase deficiency: salt-wasting (SW), simple virilizing (SV), nonclassic (NC) late-onset (also called attenuated and acquired), and cryptic. (PMID: 3546944, 2537337). 11beta-hydroxyprogesterone acts as a mineralocorticoid agonist in stimulating Na+ absorption in mammalian principal cortical collecting duct cells.It activates the transiently expressed hMR in COS-7 cells in a dose-dependent manner (ED(50): 10(-8) M) and, like aldosterone, stimulated Ams I(sc) in mpkCCD(cl4) cells. Docking 11OHP within the hMR-ligand-binding domain homology model revealed that the agonist activity of 11OHP is caused by contacts between its 11 beta-hydroxyl group and Asn770. Furthermore, 11OHP was unable to activate the mutant hMR/N770A, in which Ala is substituted for Asn at position 770. These findings demonstrate that in the absence of the 21-hydroxyl group, the 11 beta-hydroxyl group can produce the contact with the hMR-Asn770 required for the hMR activation leading to stimulated Na(+) absorption. 11beta-Hydroxyprogesterone is a normal human metabolite. Plasma 11beta-Hydroxyprogesterone concentrations does not vary significantly as a function of age, sex, or phase of the menstrual cycle, in contrast to 17-hydroxyprogesterone. Increased plasma 11beta-Hydroxyprogesterone levels in late-onset adrenal 21-hydroxylase deficiency suggest a mild defect of the mineralocorticoid pathway. 21-hydroxylase deficiency (OMIM 201910) is probably the most frequent (if not the most frequent) autosomal recessive genetic disease, occurring in almost 1\\\% of Caucasians and about 3\\\% of Ashkenazi Jews. 21-hydroxylase deficiency is unusual among genetic diseases in that approximately 95\\\% of the mutant alleles have apparently been generated by recombination between a normally active gene (CYP21) and a closely linked pseudogene (CYP21P). There are 4 recognized clinical forms of congenital adrenal hyperplasia, the majority of cases being associated with 21-hydroxylase deficiency: salt-wasting (SW), simple virilizing (SV), nonclassic (NC) late-onset (also called attenuated and acquired), and cryptic. (PMID: 3546944, 2537337) [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins 11beta-Hydroxyprogesterone is a potent inhibitors of 11β-Hydroxysteroid dehydrogenase; also activates human mineralocorticoid receptor in COS-7 cells with an ED50 of 10 nM.
Ethyl icosapentate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent Ethyl icosapentate is found in fishes. Ethyl icosapentate is isolated from fish oils. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Isolated from fish oils. Ethyl icosapentate is found in fishes. D057847 - Lipid Regulating Agents Same as: D01892 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
15beta-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-Hydroxy-3-oxo-19-nor-5beta,17alpha-pregnane-21-carboxylic acid, gamma-lactone
11-Hydroxy-delta-9-THC
11-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis.
Docosapentaenoate (DPA; 22:5n3)
Docosapentaenoic acid is an unsaturated fatty acid found in fish oils. It is a minor constituent of the total serum unsaturated fatty acids in humans. Docosapentaenoic acid (22n-6) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Docosapentaenoic acid (22n-6) can be found in blood and urine, as well as in human adipose tissue, fibroblasts, and platelet tissues. Within the cell, docosapentaenoic acid (22n-6) is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. In humans, docosapentaenoic acid (22n-6) is involved in alpha-linolenic acid and linoleic acid metabolism. Docosapentaenoic acid (22n-6) is found to be associated with thyroid cancer. fatty acids, Unsaturated
ent-16-Kauren-19-ol acetate
ent-16-Kauren-19-ol acetate is found in fruits. ent-16-Kauren-19-ol acetate is a constituent of Annona squamosa (sugar apple) Constituent of Annona squamosa (sugar apple). ent-16-Kauren-19-ol acetate is found in fruits.
4,8,12,15,19-Docosapentaenoic acid
4,8,12,15,19-Docosapentaenoic acid is found in fats and oils. 4,8,12,15,19-Docosapentaenoic acid is a constituent of many fish oils e.g. sardine, mackerel and herring. Constituent of many fish oils e.g. sardine, mackerel and herring. 4,8,12,15,19-Docosapentaenoic acid is found in fats and oils and fishes.
Ethyl abietate
Ethyl abietate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran
2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is found in herbs and spices. 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is isolated from dry rhizomes of ginger Zingiber officinale. Isolated from dry rhizomes of ginger Zingiber officinale. 2-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-5-octylfuran is found in herbs and spices.
2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol
2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol is found in nuts. 2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol is isolated from Anacardium occidentale (cashew nut) shell oil. Isolated from Anacardium occidentale (cashew nut) shell oil. 2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol is found in nuts.
[10]-Dehydroshogaol
[10]-Dehydroshogaol is found in herbs and spices. [10]-Dehydroshogaol is a constituent of Zingiber officinale (ginger). Constituent of Zingiber officinale (ginger). [10]-Dehydroshogaol is found in herbs and spices.
5,8,12-Trihydroxy-9-octadecenoic acid
5,8,12-Trihydroxy-9-octadecenoic acid is found in cereals and cereal products. 5,8,12-Trihydroxy-9-octadecenoic acid is a constituent of wheat bran Constituent of wheat bran. 5,8,12-Trihydroxy-9-octadecenoic acid is found in cereals and cereal products.
8-Hydroxy-delta-9-THC
8-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-Δ9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
9-alpha,10-alpha-epoxyhexahydrocannabinol
9-alpha,10-alpha-epoxyhexahydrocannabinol is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one
(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is found in tea. (4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is a constituent of Tussilago farfara (coltsfoot) Constituent of Tussilago farfara (coltsfoot). (4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is found in tea.
1-Phenyl-1,3-hexadecanedione
1-Phenyl-1,3-hexadecanedione is found in fats and oils. 1-Phenyl-1,3-hexadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-hexadecanedione is found in fats and oils.
(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid
Pinellic acid is found in cereals and cereal products. Pinellic acid is isolated from a rice cultivar. Confers resistance to rice blast disease. Found in beer and blast-resistant rice
Tussilagonone
Constituent of Tussilago farfara (coltsfoot). (4Z,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one is found in tea. Tussilagonone is found in tea. Tussilagonone is a constituent of Tussilago farfara (coltsfoot).
7-beta-Hydroxy-delta-9-THC
7-beta-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
8-beta-Hydroxy-delta-9-THC
8-beta-Hydroxy-delta-9-THC is a metabolite of dronabinol. Dronabinol is the for a pure isomer of THC, (–)-trans-delta9-tetrahydrocannabinol, which is the main isomer found in cannabis. (Wikipedia)
6(beta)-hydroxyprogesterone
6(beta)-hydroxyprogesterone is a metabolite of progesterone. Progesterone also known as P4 (pregn-4-ene-3,20-dione) is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestogens, and is the major naturally occurring human progestogen. (Wikipedia)
6-beta-hydroxyprogesterone
6-beta-hydroxyprogesterone is a metabolite of progesterone. Progesterone also known as P4 (pregn-4-ene-3,20-dione) is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestogens, and is the major naturally occurring human progestogen. (Wikipedia)
pregn-5-ene-3,20-dione-17-ol
pregn-5-ene-3,20-dione-17-ol is also known as 17-Hydroxypregnenedione. pregn-5-ene-3,20-dione-17-ol is considered to be practically insoluble (in water) and relatively neutral
11-hydroxy-Delta(9)-tetrahydrocannabinol
11-hydroxy-Delta(9)-tetrahydrocannabinol, also known as (-)-11-Hydroxy-Delta(9)-THC or 11-OH-THC, is classified as a member of the 2,2-dimethyl-1-benzopyrans. 2,2-dimethyl-1-benzopyrans are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. 11-hydroxy-Delta(9)-tetrahydrocannabinol is considered to be practically insoluble (in water) and acidic
11-Hydroxy-delta(8)-thc
11beta-Hydroxy-4-pregnen-3,20-dione
15-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
17-(2-Hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
4,7,10,13,16-Docosapentaenoic acid
Docosapentaenoic acid is fatty acid found in fish oils. It is a minor constituent of the total serum unsaturated fatty acids in humans.
7-Hydroxycannabidiol
7,10,13,16,19-Docosapentaenoic acid
a-Hydroxyprogesterone
Dehydroepiandrosterone acetate
Furazabol
Metabolite M
(8R,9R,10R,13S,14S)-17-Ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
Trestolone acetate
16-O-Methylcafestol
16-o-methylcafestol, also known as 16-omc compound, is a member of the class of compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 16-o-methylcafestol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 16-o-methylcafestol can be found in arabica coffee, which makes 16-o-methylcafestol a potential biomarker for the consumption of this food product.
taxa-4(20),11-dien-5-alpha-yl acetate
Taxa-4(20),11-dien-5-alpha-yl acetate belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4(20),11-dien-5-alpha-yl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Taxa-4(20),11-dien-5-alpha-yl acetate can be found in a number of food items such as chinese mustard, yellow bell pepper, opium poppy, and american pokeweed, which makes taxa-4(20),11-dien-5-alpha-yl acetate a potential biomarker for the consumption of these food products.
Tianshic acid
An olefinic fatty acid that is (9E)-octadec-9-enoic acid substituted by hydroxy groups at positions 8, 11 and 12. It has been isolated from Allium fistulosum and Ophiopogon japonicus.
[1S-[1alpha,2alpha(Z),4beta]]-1,2,3,4-Tetrahydro-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
[4aS-[4aalpha,5alpha,6beta(E),8abeta]]-3-methyl-, 4,4a,5,6,7,8,8a,9-Octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-6-yl ester 2-pentenoic acid
(3E,5E,10E)-7-Ethoxy-13-keto-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
(3Z,5E,10E)-7-Ethoxy-3,7,11,15-tetramethylhexadeca-1,3,5,10,14-pentaene
(14S)-acetoxycembra-1,3,7,11-tetraene|(1Z,3E,7E,11E,14S)-1,3,7,11-cembratetraene-14-ol|Sarcophytol-A-acetat
(1E,3E,7E,11E,13S)-cembra-1,3,7,11-tetraen-13-yl acetate
9,10alpha-epoxy-9,10-seco-abieta-8,11,13-trien-18-oic acid methyl ester|karamatsuic acid methyl ester
Methyl 7.beta.-hydroxyabieta-8,11,13-trien-18-oate
1beta,3alpha-dihydroxypregna-5,16-dien-10-one|tupipregnenolone
methyl spongia-13(16),14-dien-19-oate|methyl spongin-13(16),14-dien-19-oate
2-KetoneMe ester-(ent-2beta,12Z)-2-Hydroxy-8(17)-,12,14-labdatrien-18-oic acid|2-oxo-12,13Z-ozic acid methylester
3alpha-Hydroxy-octanor-dammaren-(12)-on-(17)|3alpha-hydroxyoctanordammar-12-en-17-one
petasol-(3-methyl-pent-2E-enoate)|petasol-<3-methyl-pent-2E-enoate>
et ether-(3Z,5E,10E)-7-Hydroxy-1,3,5,10,14-phytapentaen-13-one
12-hydroxy-14-methoxyabieta-8,11,13-trien-3-one|Neotriptonoterpene|wilforol E
3-Angeloyl-(3beta, 9beta)-Furanoeremophilane-3, 9-diol
Ac-(3beta,5alpha)-3-Hydroxyandrost-9(11)-en-17-one
methyl-13alpha-hydroxy-9(11)-dehydro-ent-kaurenoate
deoxocarnosol 12-methyl ether|deoxycarnosol 12-methyl ether
17-oxo-ent-kaur-15(16)-en-19-oic acid methyl ester
(2,5,6,9,10,13,14,16-octahydro-4,12,15-trimethylcyclotetradeca[b]furan-8-carboxylic acid methyl ester)|13-dehydroxysarcoglaucol
11-hydroxy-14-methoxyabieta-8,11,13-trien-3-one|14-Me ether-11,14-Dihydroxy-8,11,13-abietatrien-3-one|triptonoterpene methyl ether|tritonoterpene methyl ether
(4aR,5R)-5-[(E)-1,4-dimethylpent-1-enyl]-2-methoxy-3,4a,6,8-tetramethyl-4a,5-dihydro-4H-1-benzopyran-4-one
(+)-(5R*,10R*)-5-methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
16-methoxylabda-8(17),11E,13-trien-15,16-olide|hedycoronen B
(3S,4R,5R)-3-(9(E),11(E),15-hexadecatriene-7-inyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone|sapranthin F
(3R,4R,5S)-3-(15-hexadecaene-7,9-diinyl)-4,5-dihydro-4-hydroxy-5-methyl-2(3H)-furanone|sapranthin E
(-)-(5S,6R,8S,9S,10R,14R)-6-acetoxycassa-12,15-diene
(1R,3E,7E,11S,12S)-17-acetoxy-3,7,18-dolabellatriene
3beta,12beta-dihydroxy-5alpha-pregnane-14,16-dien-20-one
(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-hydroxyprop-2-ynyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopent-a[a]phenanthren-3-ol
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, methyl ester, [4aS-(4a.alpha.,5.alpha.,6.beta.,8a.beta.)]-
(10R)-3c-Hydroxy-10r,13c-dimethyl-17-(alpha-hydroxy-isopropyl)-(8cH,9tH,14tH)-Delta5,16-dodecahydro-1H-cyclopenta[a]phenanthren|20-Methyl-pregnadien-(5,16)-diol-(3beta,20)|20-methyl-pregnadiene-(5,16)-diol-(3beta,20)|3beta-Hydroxy-10,13-dimethyl-17-(alpha-hydroxy-isopropyl)-gonadien-(5,16)
7-ketomethylisopimarate|7-oxo-8,15-pimaradien-18-oic acid methyl ester|methyl 7-oxo-13-epi-pimar-8-en-18-oate|methyl 7-oxo-13-epi-pimara-8,15-dien-18-oate|methyl 7-oxoisopimara-8(9),15-dien-18-oate|Methyl 7-oxoisopimara-8,15-dien-18-oate
(5Z,8Z,11Z)-6-(heptadeca-5,811-trien-1-yl)-5,6-dihydro-(2H)-pyran-2-one|(all-Z)-6-(5,8,11-Heptadecatrienyl)-5,6-dihydro-2H-pyran-2-one
12-hydroxy-7alpha-methoxy-6alpha,18-epoxyabieta-8,11,13-triene|fortunin I
1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1-acetate, (1R,4aR,4bR,10aR)-
(10S)-19-Acetoxy-13-methyl-17-nor-phylloclad-15-en|(10S)-19-acetoxy-13-methyl-17-nor-phylloclad-15-ene|Erythroxylol A-acetat|Monogynol acetate|Stachenol-A-acetat
(1R,3E,7E,11S,12S,14S)-14-acetoxy-3,7,18-dolabellatriene
A natural product found in Dilophus spiralis.
2-(3,7-DIMETHYLOCTA-2,6-DIEN-1-YL)-3-METHOXY-5-PENTYLPHENOL
ent-8(14),15-pimaradien-3beta-acetoxy|O-Acetyl-deoxyoblongifoliol
(-)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal
Wilforol E
Wilforol E is a natural product found in Tripterygium wilfordii with data available.
C21H30O3_(2E,4E)-5-{(1S,2R,4aS,5S,8S,8aS)-2-[(2E)-2-Buten-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-2,4-pentadienoic acid
Deoxycorticosterone
Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor. Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor.
17-hydroxyprogesterone
17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
11a-Hydroxyprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins
hydroxyprogesterone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones 17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
17α-hydroxyprogesterone
CONFIDENCE standard compound; INTERNAL_ID 2397 17α-Hydroxyprogesterone (17-Hydroxyprogesterone) is an endogenous progesterone that serves as a chemical intermediate in the biosynthesis of other steroid hormones, including glucocorticoids, androgens, and estrogens.
Desoxycortone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AA - Mineralocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D008901 - Mineralocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Origin: Animal, Pregnanes Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor. Deoxycorticosterone is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as an aldosterone precursor.
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one
(5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
(5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol
ethyl abietate
(4E,9a)-9-(3-Methyl-2E-pentenoyloxy)-4,10(14)-oplopadien-3-one
ent-16-Kauren-19-ol acetate
2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol
Tussilagonone
FA 22:5
The all-cis-isomer of a C22 polyunsaturated fatty acid having five double bonds in the 7-, 10-, 13-, 16- and 19-positions. Docosapentaenoic acid (22n-3) is a component of phospholipids found in all animal cell membranes.
1alpha-hydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3
1alpha-hydroxy-23,24,25,26,27-pentanorvitamin D3
22-hydroxy-23,24,25,26,27-pentanorvitamin D3
2-methyl-5-(8Z.11Z-pentadecadienyl) resorcinol
formaldehyde,phenol,4-(2,4,4-trimethylpentan-2-yl)phenol
Eicosapentaenoic acid ethyl ester
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D057847 - Lipid Regulating Agents
4-PENTYLPHENYL TRANS-4-BUTYL-CYCLOHEXANECARBOXYLATE
trans-1-(2-(4-ethylphenyl)ethynyl)-4-(4-propylcyclohexyl)benzene
2-Methyl-2-propanyl 8-benzyl-1,8-diazaspiro[4.5]decane-1-carboxyl ate
Furazabol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
1-PYRROLIDIN-2-CYCLOHEXYL-2-(N-CBZ-N-METHYL)AMINO-ETHANE
tert-butyl 7-benzyl-2,7-diazaspiro[4.5]decane-2-carboxylate
tert-butyl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate
1-[(4-Ethylphenyl)ethynyl]-4-(trans-4-propylcyclohexyl)benzene
1-[(4-PROPYLPHENYL)ETHYNYL]-4-(TRANS-4-PROPYLCYCLOHEXYL)BENZENE
tert-butyl 2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
1-ISOPROPYL-4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PIPERAZINE
2-Methyl-androst-2-en-17-ol acetate, (5alpha,17beta)-
Icosapent ethyl
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D057847 - Lipid Regulating Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
taxa-4(20),11-dien-5-alpha-yl acetate
Taxa-4(20),11-dien-5-alpha-yl acetate belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4(20),11-dien-5-alpha-yl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Taxa-4(20),11-dien-5-alpha-yl acetate can be found in a number of food items such as chinese mustard, yellow bell pepper, opium poppy, and american pokeweed, which makes taxa-4(20),11-dien-5-alpha-yl acetate a potential biomarker for the consumption of these food products. Taxa-4(20),11-dien-5-α-yl acetate belongs to taxanes and derivatives class of compounds. Those are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system. Taxa-4(20),11-dien-5-α-yl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Taxa-4(20),11-dien-5-α-yl acetate can be found in a number of food items such as chinese mustard, yellow bell pepper, opium poppy, and american pokeweed, which makes taxa-4(20),11-dien-5-α-yl acetate a potential biomarker for the consumption of these food products.
(7Z,10Z,13E,16Z,19Z)-docosa-7,10,13,16,19-pentaenoic acid
[3-Carboxy-2-(6-oxodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(9-oxodecanoyloxy)propyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydec-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-5-hydroxydec-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(Z)-5-hydroxydec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-5-hydroxydec-2-enoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-oxodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-oxodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-oxodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-oxodecanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(8-oxodecanoyloxy)propyl]-trimethylazanium
[(1S,3S,3aR,5E,12aS)-3a,6,10-trimethyl-1-prop-1-en-2-yl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-3-yl] acetate
(1R,2R)-1-[(3S)-3-hydroxyoctyl]-5-methyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol
Ethyl (3R)-1-(1-benzylpiperidin-4-yl)piperidine-3-carboxylate
(1S,2E,4E,7E,10R,11E)-10-Acetoxycembra-2,4,7,11-tetraene
[(1R,2E,6S,7Z,9E,12E)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-yl] acetate
[(1R,2E,6S,9Z,12E)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-yl] acetate
ethyl (5Z,8Z,11Z,14Z,17E)-icosa-5,8,11,14,17-pentaenoate
(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid
The all-cis-isomer of a C22 polyunsaturated fatty acid having five double bonds in the 4-, 7-, 10-, 13- and 16-positions. It is a member of n-6 PUFA and a product of linoleic acid metabolism.
9,10,13-TriHOME
A TriHOME that is (11E)-octadec-11-enoic acid in which the three hydroxy substituents are located at positions 9, 10 and 13.
9,12,13-Trihydroxyoctadec-10-enoic acid
A TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13.
2-Methyl-5alpha-androst-2-en-17beta-ol acetate
taxa-4(20),11-dien-5alpha-yl acetate
A taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by an acetoxy group at the 5alpha position.
Ethyl (5Z,8Z,11Z,14Z,17Z)-icosapentaenoate
A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoic acid with the hydroxy group of ethanol.
(6e,10r,11e,13z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
[(1s,4r,5s,9s,10r,13r)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methyl acetate
(1r,2s,4r,9r,10s,13r)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-2-yl acetate
(2r,4as,5r,8ar)-1,1,4a-trimethyl-6-methylidene-5-[(2e)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2h-naphthalen-2-yl acetate
7-isopropyl-1,1,4a-trimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-3-yl acetate
2-isopropyl-4b,8,8-trimethyl-4,4a,5,6,7,9-hexahydro-3h-phenanthren-8a-yl acetate
2-{2-[(2s,4r,5r)-5-ethyl-4-(2-hydroxyethyl)-1-methylpiperidin-2-yl]-1h-indol-3-yl}ethanol
6,10,12a-trimethyl-3-(prop-1-en-2-yl)-1h,2h,3h,3ah,4h,5h,8h,9h,12h-cyclopenta[11]annulen-1-yl acetate
(6r,7e,9r,10r)-6,9,10-trihydroxyoctadec-7-enoic acid
(2r,4as,4br,7r,10as)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2h-phenanthren-2-yl acetate
(4as,4br,8as,9r,10ar)-2-ethenyl-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydrophenanthren-9-yl acetate
3-[(3ar,5ar,6s,7s,9ar,9br)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-1h,3ah,4h,5h,5ah,7h,8h,9h-cyclopenta[a]naphthalen-6-yl]propanoic acid
(2r,4ar,5s,8as)-1,1,4a-trimethyl-6-methylidene-5-[(2e)-3-methylpenta-2,4-dien-1-yl]-hexahydro-2h-naphthalen-2-yl acetate
3-[(3e,5e,8z)-3,7,11-trimethyldodeca-3,5,8-trien-1-yl]cyclohex-1-ene-1-carboxylic acid
[(1s,4s,5r,9s,10r,13r)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methyl acetate
(12Z)-9,10,11-Trihydroxy-octadecadienoic acid
{"Ingredient_id": "HBIN000988","Ingredient_name": "(12Z)-9,10,11-Trihydroxy-octadecadienoic acid","Alias": "NA","Ingredient_formula": "C18H34O5","Ingredient_Smile": "CCCCCC=CC(C(C(CCCCCCCC(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42272","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
17-acetoxylabda-7,12(e),14-triene
{"Ingredient_id": "HBIN001982","Ingredient_name": "17-acetoxylabda-7,12(e),14-triene","Alias": "NA","Ingredient_formula": "C22H34O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "248","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
20-hydroxymulin-11,13-dienyl acetate
{"Ingredient_id": "HBIN003417","Ingredient_name": "20-hydroxymulin-11,13-dienyl acetate","Alias": "NA","Ingredient_formula": "C22H34O2","Ingredient_Smile": "CC1=CCC2(CCC3(C(C2C=C1)CCC3C(C)C)COC(=O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10530","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-ureido-androst-4-en-17-one
{"Ingredient_id": "HBIN007970","Ingredient_name": "3\u03b1-ureido-androst-4-en-17-one","Alias": "NA","Ingredient_formula": "C20H30N2O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(9R, 10R,7E)-6,9,10-trihydroxyoctadec-7-enoic acid
{"Ingredient_id": "HBIN014179","Ingredient_name": "(9R, 10R,7E)-6,9,10-trihydroxyoctadec-7-enoic acid","Alias": "NA","Ingredient_formula": "C18H34O5","Ingredient_Smile": "CCCCCCCCC(C(C=CC(CCCCC(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42465","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
