Exact Mass: 430.2867
Exact Mass Matches: 430.2867
Found 500 metabolites which its exact mass value is equals to given mass value 430.2867
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4,4-Diapo-psi,psi-carotene-4-oic acid
2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one is found in tea. 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one is found in tea.
Piritramide
Piritramide (R-3365, trade names Dipidolor, Piridolan, Pirium and others) is a synthetic opioid analgesic with a potency 0.65 to 0.75 times that of morphine. A common starting dose is 15 mg IV, equivalent to 10 mg of morphine hydrochloride. Piritramide is commonly used for the treatment of postoperative pain. Piritramide was discovered at Janssen Pharmaceutica in 1960 and is currently manufactured and distributed within continental Europe and some other places by Janssen-Cilag. Piritramide is a strong opioid and therefore is regulated much the same as morphine in all known jurisdictions. It was never introduced in the United States and is therefore a Schedule I/Narcotic controlled substance. It is listed under international treaties and other laws such as the German Betabungsmittelgesetz, the Austrian Suchtgiftmittelgesetz, the Opium Laws of various other European countries, Canadian controlled substances act, UK Misuse of Drugs Act of 1971, and equivalents elsewhere. Strangely enough, bezitramide, which is not currently marketed in the United States is a Schedule II/Narcotic controlled substance. Piritramide is also known as pirinitramide. Its closest chemical relatives amongst well-known drugs are diphenoxylate (Lomotil) and bezitramide (Burgodin). Piritramide is available in tablets and ampoules of sterile solution for injection by all routes, and is used in Patient Controlled Analgesia units. In addition to PCA, piritramide is most often used in post-operative situations and emergency departments; some of its properties would seem to lend it well to chronic pain control as well. It is one of the longer-lasting opioids and has a plasma half-life of 3 to 12 hours. Piritramide tends to cause less respiratory depression than morphine and can take a while to have full effect especially if taken by mouth. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AC - Diphenylpropylamine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
N-Eicosapentaenoyl Glutamine
N-eicosapentaenoyl glutamine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Eicosapentaenoic acid amide of Glutamine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Eicosapentaenoyl Glutamine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Eicosapentaenoyl Glutamine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Urea, N'-(2,4-difluorophenyl)-N-((4-(2,2-dimethylpropyl)phenyl)methyl)-N-heptyl-
MG(PGF1alpha/0:0/0:0)
MG(PGF1alpha/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/PGF1alpha/0:0)
MG(0:0/PGF1alpha/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
DG(2:0/18:1(12Z)-2OH(9,10)/0:0)
DG(2:0/18:1(12Z)-2OH(9,10)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/18:1(12Z)-2OH(9,10)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-2OH(9,10)/2:0/0:0)
DG(18:1(12Z)-2OH(9,10)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:1(12Z)-2OH(9,10)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/18:1(12Z)-2OH(9,10))
DG(2:0/0:0/18:1(12Z)-2OH(9,10)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(18:1(12Z)-2OH(9,10)/0:0/2:0)
DG(18:1(12Z)-2OH(9,10)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Laurebiphenyl
A sesquiterpenoid that is a dimer of a cyclolaurane type sesquiterpene. Isolated from the marine red algae Laurencia nidifica and Laurencia tristicha, it exhibits antineoplastic activity.
Lupulone C
Lupulone C is a natural product found in Humulus lupulus with data available.
gutierrezianolic acid (2-methylbutyrate) methyl ester|gutierrezianolic acid <2-methylbutyrate> methyl ester
15alpha-Angeloyloxy-9beta-hydroxy-kaur-16-en-saeuremethylester|15alpha-angeloyloxy-stenolobin|ent-15beta-angeloxy-9alpha-hydroxykaur-16-en-19-oate|methyl 15alpha-angeloyloxy-9beta-hydroxy-ent-kaur-16-en-19-oate
12alpha-hydroxy-24-methyl-24,25-dioxoscalar-16-en-22-oic acid
9beta-hydroxy-15alpha-senecioyloxy-ent-kaurensaeure-methyl-ester
gutierrezianolic acid (isobutyrate) methyl ester|gutierrezianolic acid methyl ester
3beta-3,29-Dihydroxy-15-oxo-24,25,26-trinorlanosta-8,16-dien-23-oic acid
12alpha-(2-methylbutyryloxy)-hardwickiic acid methyl ester|12alpha-<2-methylbutyryloxy>-hardwickiic acid methyl ester
methyl-15beta-tiglinoyloxy-16,17-epoxy-ent-kaurane
methyl-3alpha-angeloyloxy-9beta-hydroxy-ent-kaurenoate
ent-7alpha-senecioxy-15alpha-hydroxy-atis-16-en-19-oic acid
rel-(1R,5R)-2-(1-farnesyl-5-acetoxy-2-oxocyclohex-3-en-1-yl)-acetic acid methyl ester
Ala Gly Lys Arg
Ala Gly Arg Lys
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Lys Ala Gly Arg
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Arg Ala Gly Lys
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isopropyl ester
15-keto Latanoprost
2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
Piritramide
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AC - Diphenylpropylamine derivatives D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
[1R-(1a,2b,3a,5a)]-5-Hydroxy-2-[(1-methoxy-1-methylethoxy)methyl]-3-[(tetrahydro-2H-pyran-2-yl)oxy]cyclopentaneheptanoic acidmethylester
TRIETHYL 2,2,2-(1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIYL)TRIACETATE
4,8-Bis({[dimethyl(2-methyl-2-propanyl)silyl]oxy}methyl)-1,5-diazatricyclo[5.1.0.03,5]octane-2,6-diol
Sodium Cholate
Digestion and Absorption of Fats: Bile acids are crucial for the digestion and absorption of dietary fats and fat-soluble vitamins (A, D, E, and K) in the small intestine. They achieve this by emulsifying large fat droplets into smaller droplets, increasing the surface area for action by lipase, an enzyme that breaks down fats. Cholesterol Metabolism: Bile acids are synthesized from cholesterol in the liver. They play a key role in cholesterol homeostasis by facilitating the excretion of cholesterol from the body. This process is important for regulating blood cholesterol levels. Bile Formation: Bile acids are a major component of bile, which is produced by the liver and stored in the gallbladder. Bile is released into the small intestine to aid in the digestion and absorption of fats. Hormone-like Functions: Bile acids can act as signaling molecules, influencing various metabolic processes through activation of nuclear receptors such as the farnesoid X receptor (FXR) and the G protein-coupled bile acid receptor 1 (GPBAR1, also known as TGR5). Lipid Solubility: Bile acids are amphipathic molecules, meaning they have both hydrophobic and hydrophilic regions. This property allows them to solubilize lipids and lipid-soluble substances, aiding in their transport and absorption. Microbial Metabolism: In the intestine, bile acids can influence the composition of the gut microbiota by affecting the growth of different bacterial species. The gut microbiota, in turn, can modify bile acids, influencing their function and the overall metabolic state of the host. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Resocortol butyrate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-hydroxy-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-Hydroxy-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2-oxane]-10-one
asnovolin J
A meroterpenoid with formula C26H38O5 isolated from the fungus Aspergillus novofumigatus. It is an intermediate produced in the biosynthetic pathway leading to the synthesis of novofumigatonin.
methyl (1R,2S,5S,7R,10S,11S,13R,15R)-7-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-14,16-dioxotetracyclo[11.3.1.02,11.05,10]heptadecane-1-carboxylate
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Gln-Lys-Arg
A tripeptide composed of L-glutamine, L-lysine, and L-arginine units joined in sequence by peptide linkages.
17-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoic acid
(16R)-16-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxoheptadecanoic acid
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl(3-pyridinylmethyl)amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
Andrastin E
A 17-oxo steroid that is andrastin D in which the keto group at position 3 has undergone formal reduction to give the corresponding 3alpha-hydroxy compound.
Andrastin F
A 17-oxo steroid that is andrastin D in which the keto group at position 3 has undergone formal reduction to give the corresponding 3beta-hydroxy compound.
(6R)-6-[(7R,10R,13R,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
methyl (3R)-3-[(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienyl]-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylate
[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoxy]-3-hydroxypropan-2-yl] acetate
(2alpha,8xi,9xi,14xi,16xi,17xi)-Spirost-5-en-2,3-diol
7alpha-hydroxy-3-oxo-4-cholestenoic acid
A cholestanoid that is cholest-4-en-26-oic acid substituted by an alpha-hydroxy group at position 7 and an oxo group at position 3. It is an intermediate metabolite in the bile acid synthesis.
(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-undecaenoic acid
12beta,16beta,20R-trihydroxy-cholest-1,4-dien-3-one
3beta,5alpha,9alpha-Trihydroxycholesta-7,14-dien-6-one
5alpha,9alpha-Epidioxy-8,14alpha-epoxy-cholest-6-en-3beta-ol
4,4-diapolycopen-4-oic acid
An apo carotenoid triterpenoid that is 4,4-diapolycopene in which one of the terminal methyl groups has been replaced by a carboxy group.
Cholic acid (sodium)
Cholic acid sodium is a major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. Cholic acid sodium is orally active[1][2]. Cholic acid sodium is a major primary bile acid produced in the liver and usually conjugated with glycine or taurine. It facilitates fat absorption and cholesterol excretion. Cholic acid sodium is orally active[1][2].
(1s,3r,6r,7s,11r,13s,15r,16s)-11,13-dimethoxy-3,15-dimethyl-6-[(2s,3z)-6-methylhepta-3,5-dien-2-yl]-12-oxatetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadec-9-en-15-ol
(1's,2r,2's,4's,5r,7's,8'r,9's,12's,13'r,14'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'-ene-14',16'-diol
(6r,8as)-6-hydroxy-2-[(1r,2r,3r)-2-(2-hydroxyethyl)-2-methyl-3-[(2r)-6-methylheptan-2-yl]cyclopentyl]-8a-methyl-7,8-dihydro-6h-naphthalene-1,4-dione
(1e,3s,3ar,5r,7s,7as)-1-ethylidene-7-isopropyl-3-[(2-methylbutanoyl)oxy]-4-methylidene-2-oxo-hexahydroinden-5-yl (2e)-3-methylpent-2-enoate
(1r,2r,3as,3bs,9ar,9bs,11as)-2-hydroxy-1-[(2s)-7-hydroxy-6-methyl-3-oxoheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
5-{1-hydroxy-3a,3b,6,6,9a-pentamethyl-7-oxo-decahydro-2h-cyclopenta[a]phenanthren-1-yl}-5-methyloxolan-2-one
(1r,3ar,7s,8r,9ar,9bs,11ar)-7,8-dihydroxy-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
7,8-dihydroxy-1-(6-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1h,2h,3h,3ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-10',16'-diol
1-acetyl-3a,7-dihydroxy-9a,11a-dimethyl-1h,2h,3h,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-11-yl 2-methylbut-2-enoate
(1's,2r,2's,4's,5s,7's,8'r,9's,12's,13'r,15'r,16'r)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-15',16'-diol
methyl (4ar,5s,6r,8as)-5-[2-(furan-3-yl)ethyl]-5,6-dimethyl-8a-{[(3-methylbutanoyl)oxy]methyl}-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
(1's,2r,2's,4's,5r,7's,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'-ene-5,16'-diol
(2r,4as,4br,8as,9r,10as)-2-hydroxy-4b,8,8,10a-tetramethyl-2-[(1s)-4-methyl-5-oxocyclohex-3-en-1-yl]-decahydrophenanthren-9-yl acetate
(4as,4br,6s,6as,7r,10as,10br,12as)-8-formyl-7-(hydroxymethyl)-1,1,4a,6a,10b-pentamethyl-2,3,4,4b,5,6,7,10,10a,11,12,12a-dodecahydrochrysen-6-yl acetate
(1r,2s,11s,13s,14r,15s,18s,20r)-13,18-dihydroxy-1,7,11,15,19,19-hexamethyl-8,10-dioxapentacyclo[12.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]docosa-4(9),6-dien-5-one
(3r)-3-[(3as,5as,6s,7s,9as,11ar)-7-hydroxy-6-(hydroxymethyl)-3a,6,9a,11a-tetramethyl-3-oxo-4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-1-yl]butanoic acid
(3s,5as,5br,7as,8s,11as,11br,13s,13as)-8-ethyl-3,13-dihydroxy-3,5b,8,11a,13a-pentamethyl-4h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h-chryseno[1,2-c]furan-1-one
(2r)-6-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-bis(3-methylbut-2-en-1-yl)-7-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-4-one
5-(methoxycarbonyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl 2,3-dimethyloxirane-2-carboxylate
11,13-dimethoxy-3,15-dimethyl-6-(6-methylhepta-3,5-dien-2-yl)-12-oxatetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadec-9-en-15-ol
3-[(3s,3ar,5ar,6s,7s,9ar,9br)-6,9a,9b-trimethyl-3-[(2r)-2-methyl-5-oxooxolan-2-yl]-7-(prop-1-en-2-yl)-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
(1r,5br,11as,13r,13as,13bs)-1-hydroxy-5b,8,8,11a,13a-pentamethyl-1h,3h,5h,5ah,6h,7h,7ah,9h,10h,11h,11bh,12h,13h,13bh-chryseno[1,2-c]furan-13-yl acetate
(1'r,2r,2'r,4's,5s,7's,8'r,9'r,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'-ene-2',16'-diol
(1r,4s,5r,9s,10s,13r,15s)-5-(methoxycarbonyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
(1e)-2-[(1s,3r,5s,12r)-3-methoxy-3,11-dimethyl-11-(4-methylpent-3-en-1-yl)-2,6-dioxatricyclo[6.4.0.0¹,⁵]dodec-8-en-12-yl]ethenyl 3-methylbut-2-enoate
7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-14',16'-diol
15-o-methyl-14-epi-neovibsanin f
{"Ingredient_id": "HBIN001710","Ingredient_name": "15-o-methyl-14-epi-neovibsanin f","Alias": "NA","Ingredient_formula": "C26H38O5","Ingredient_Smile": "CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(C)(C)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14392","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15-o-methylneovibsanin f
{"Ingredient_id": "HBIN001713","Ingredient_name": "15-o-methylneovibsanin f","Alias": "NA","Ingredient_formula": "C26H38O5","Ingredient_Smile": "CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(C)(C)OC)C)C","Ingredient_weight": "430.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14607","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11154655","DrugBank_id": "NA"}
2-o-methylneovibsanin h
{"Ingredient_id": "HBIN006255","Ingredient_name": "2-o-methylneovibsanin h","Alias": "NA","Ingredient_formula": "C26H38O5","Ingredient_Smile": "CC(=CCCC1(CC(C2=C(C1C=COC(=O)C=C(C)C)C(OC2)CC(=O)C)OC)C)C","Ingredient_weight": "430.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14608","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11750791","DrugBank_id": "NA"}
2-o-methylneovibsanin i
{"Ingredient_id": "HBIN006256","Ingredient_name": "2-o-methylneovibsanin i","Alias": "NA","Ingredient_formula": "C26H38O5","Ingredient_Smile": "CC(=CCCC1(CC(C2=C(C1C=COC(=O)C=C(C)C)C(OC2)CC(=O)C)OC)C)C","Ingredient_weight": "430.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14609","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11362444","DrugBank_id": "NA"}