Exact Mass: 390.2855
Exact Mass Matches: 390.2855
Found 500 metabolites which its exact mass value is equals to given mass value 390.2855,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bis(2-ethylhexyl) phthalate
Di(2-ethylhexyl) phthlate (DEHP) is a manufactured chemical that is commonly added to plastics to make them flexible. DEHP is a colorless liquid with almost no odor. DEHP is present in plastic products such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, automobile upholstery and tops, packaging film and sheets, sheathing for wire and cable, medical tubing, and blood storage bags. Di(2-ethylhexyl) phthalate is a colorless to pale yellow oily liquid. Nearly odorless. (USCG, 1999) Bis(2-ethylhexyl) phthalate is a phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. It has a role as an apoptosis inhibitor, an androstane receptor agonist and a plasticiser. It is a phthalate ester and a diester. Dioctyl phthalate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=8033-53-2 (retrieved 2024-10-11) (CAS RN: 117-81-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Dioctyl phthalate
Di(n-octyl) phthalate, also known as dioctyl 1,2-benzenedicarboxylate or dehp, is a member of the class of compounds known as benzoic acid esters. Benzoic acid esters are ester derivatives of benzoic acid. Di(n-octyl) phthalate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Di(n-octyl) phthalate can be found in kohlrabi, which makes di(n-octyl) phthalate a potential biomarker for the consumption of this food product. Di(n-octyl) phthalate is a non-carcinogenic (not listed by IARC) potentially toxic compound. Phthalate esters are endocrine disruptors. Animal studies have shown that they disrupt reproductive development and can cause a number of malformations in affected young, such as reduced anogenital distance (AGD), cryptorchidism, hypospadias, and reduced fertility. The combination of effects associated with phthalates is called phthalate syndrome’ (A2883) (T3DB). CONFIDENCE standard compound; INTERNAL_ID 198 D010968 - Plasticizers DEHP (Bis(2-ethylhexyl) phthalate) is an endogenous metabolite. DEHP (Bis(2-ethylhexyl) phthalate) is an endogenous metabolite.
Apocholic acid
Apocholic acid is an unsaturated bile acid first characterized in the 1920s.[2] It has questionable carcinogenic activity as experimentally, sarcomas were induced in mice with injection of deoxycholic acid. [3] The salts and esters of apocholic acid are known as apocholates.
7-ketolithocholic acid
Nutriacholic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
12-Ketodeoxycholic acid
12-Ketodeoxycholic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). 12-Ketodeoxycholic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids 12-Ketodeoxycholic acid (12-Ketolithocholic acid) is a bile acid, metabolite from kidney. 12-Ketodeoxycholic acid can be a detectable marker for evidence of kidney injury[1]
D8'-Merulinic acid A
D8-Merulinic acid A is isolated from pistachio shells. Isolated from pistachio shells
7-Hydroxy-3-oxocholanoic acid
7-Hydroxy-3-oxocholanoic acid is a bile acid found in human serum (PMID 2338448). Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. [HMDB] 7-Hydroxy-3-oxocholanoic acid is a bile acid found in human serum (PMID 2338448). Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid
7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid, also known as 3-dehydrochenodeoxycholic acid or (5beta,7alpha)-7-hydroxy-3-oxocholan-24-oate, is classified as a monohydroxy bile acids, alcohol or a monohydroxy bile acids, alcohol derivative. Monohydroxy bile acids, alcohols are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid is considered to be practically insoluble (in water) and acidic. 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic acid is a bile acid lipid molecule. Glycine- and taurine-conjugated 7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid has been identified in normal human serum (PMID: 1939467) and as a cholesterol metabolite in bile acids produced in HepG2 cells, a well-differentiated human hepatoblastoma cell line (PMID: 1655725).
9'-Carboxy-alpha-chromanol
9-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 9-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. The tocopherols ( a-tocopherol , b-tocopherol ,r-tocopherol and d-tocopherol ) and their corresponding tocotrienols are synthesized by plants and have vitamin E antixoidant activity (see pathway vitamin E biosynthesis ). They differ in the number and location of methyl groups on the chromanol ring. The naturally occurring form of a-tocopherol is (2R,4R,8R)-a-tocopherol (synonym (R,R,R)-a-tocopherol). Synthetic a-tocopherols are a racemic mixture of eight different R and S stereoisomers. Only the 2R forms are recognized as meeting human requirements. The in vivo function of vitamin E is to scavenge peroxyl radicals via its phenolic (chromanol) hydroxyl group, thus protecting lipids against free radical-catalyzed peroxidation. The tocopheryl radical formed can then be reduced by reductants such as L-ascorbate. Other major products of a-tocopherol oxidation include α-tocopherylquinone and epoxy-a-tocopherols. The metabolites a-tocopheronic acid and its lactone, known as the Simon metabolites, are generally believed to be artefacts. In addition to these oxidation products, the other major class of tocopherol metabolites is the carboxyethyl-hydroxychromans.These metabolites are produced in significant amounts in response to excess vitamin E ingestion. Vitamin E is fat-soluble and its utilization requires intestinal fat absorption mechanisms. It is secreted from the intestine into the lymphatic system in chylomicrons which subsequently enter the plasma. Lipolysis of these chylomicrons can result in delivery of vitamin E to tissues, transfer to high-density lipoproteins (and subsequently to other lipoproteins via the phospholipid exchange protein), or retention in chylomicron remnants. These remnants are taken up by the liver. Natural (R,R,R)-α-tocopherol and synthetic 2R-α-tocopherols are then preferentially secreted from the liver into plasma as a result of the specificity of the α-tocopherol transfer protein. This protein, along with the metabolism of excess vitamin E in the liver and excretion into urine and bile, mediate the supply of a-tocopherol in plasma and tissues. 9-carboxy-alpha-tocopherol is a dehydrogenation carboxylate product of 9-hydroxy-a-tocopherol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid
12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid is also known as 3-Dehydrodeoxycholic acid or (5b,12a)-12-Hydroxy-3-oxocholan-24-Oate. 12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid is considered to be practically insoluble (in water) and acidic. 12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid is a bile acid lipid molecule
3beta,7alpha-Dihydroxychol-5-en-24-oic Acid
3alpha-Hydroxy-7-oxo-5beta-cholanic acid
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Antroquinonol
8H-Purin-8-one, 6-amino-7,9-dihydro-2-((1S)-1-methylbutoxy)-9-(5-(1-piperidinyl)pentyl)-
Acetoxy-[10]-gingerol
Acetoxy-[10]-gingerol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Acetoxy-[10]-gingerol can be found in ginger, which makes acetoxy-[10]-gingerol a potential biomarker for the consumption of this food product.
Sodium stearyl fumarate
It is used as a food additive .
3,4-Methano-4,6-(2-methylpropane-1,3-diyl)-4,6-(ethane-1,2-diylidene)-[2,9a-methylenebis(octahydro-1H-quinolizine)]-2-ene 7-one
3beta-Hydroxy-15-isovaleryloxy-ent-labda-7,13E-dien
(E,E,E)-2-(4,8,12-Trimethyl-3,7,11-tridecatrienyl)-2-butene-1,4-diol diacetate
Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone
4-(3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
(8E,12E)-(4R,10S,11R,14R)-10-hydroxy-14-((E)-(1R,2R)-1-hydroxy-2-methylhept-3-enyl)-4,11-dimethyl-5-methyleneoxacyclotetradeca-8,12-dien-2-one|amphidinolide R
(3S,4S,6S,15E,17E,19E)-4,6-dimethyl-4-hydroxy-3,6-peroxydocosa-15,17,19-trienoic acid 1,4-lactone|plakortolide J
(3alpha,7alpha)-3,7-Dihydroxychol-4-3n-24-oic acid
methyl 15-propionyloxy-1(10),13E-ent-halimadiene-18-oate
10,11-Didehydro, 1,2-Di-Me ether(Z-)-6-heptadecyl-1,2,4-benzenetrio|5-((Z)-Heptadec-10-enyl)-3,4-dimethoxyphenol|5-<(Z)-Heptadec-10-enyl>-3,4-dimethoxyphenol|irisphenol
(8E,12E)-(4R,10S,11R,14R,15R)-10,14-dihydroxy-4,11-dimethyl-5-methylene-15-((E)-(R)-1-methylhex-2-enyl)oxacyclopentadeca-8-12-dien-2-one|Amphidinolide J
2-[6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid
14,15-diacetoxy-7,13(16)-labdadiene|Di-Ac-7,13(16)-form-Labdadiene-14,15-diol
3beta,7alpha-Dihydroxy-24-carboxychol-5-en|3beta,7alpha-Dihydroxychol-5-en-saeure|3beta,7alpha-Dihydroxychol-5-ensaeure
(5S)-5-hydroxy-5-((Z)-2-oxononadec-10-enyl)cyclohex-2-enone|(5S)-5-hydroxy-5-<(Z)-2-oxononadec-10-enyl>cyclohex-2-enone|1-(1-Hydroxy-5-oxo-cyclohex-3-enyl)-nonadec-10c-en-2-on|1-(1-hydroxy-5-oxo-cyclohex-3-enyl)-nonadec-10c-en-2-one
(2R,4R,6R)-4-hydroxy-2-undecyl-1,7-dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-one|2R,4R,6R-4-hydroxy-2-undecyl-1,7-dioxadispiro[5.1.5.2]pentadec-9,12-dien-11-one|aculeatin F
phthalic acid bis(2,5-dimethylhexyl) ester|phthalic acid bis-(2,5-dimethylhexyl)ester
6E-Isomer,4-deacetoxy-Asbestinin 2|Butanoyl-(6E,11beta)-2,9:3,16-Diepoxy-6-asbestinen-11-ol
2-hydroxy-6-(16-hydroxy-8-heptadecenyl)benzoic acid
5-ethyl-6-[3-ethyl-5-((Z)-pent-1-enyl)-5,6-dihydro-4H-pyran-2-ylperoxy]-3-[(Z)-pent-1-enyl]-3,4-dihydro-2H-pyran
(5alphaOH)-5-Hydroxy-3,4-dinorcholestane-2,5-olide|2a-oxa-2-oxo-5alpha-hydroxy-3,4-dinorcholestane|5-hydroxy-4-nor-3-oxa-5alpha-cholestan-2-one
(13E)-labd-7,13-diene-15-yl methyl malonic acid diester
(+)-Antroquinonol;(4R,5R,6R)-(+)-Antroquinonol;Antroquinonol
2-methoxy-4-hydroxy-6-(8Z-pentadecenyl)benzene-1-O-acetate|4-hydroxy-2-methoxy-6-[(8Z)-pentadec-8-en-1-yl]phenyl acetate
(Z)-4-hydroxy-2-methoxy-6-(pentadec-10-en-1-yl)phenyl acetate|1-O-methyl-6-acetoxy-5-(pentadec-10Z-enyl)resorcinol
Bis[6-(3,4,7-trihydroxy-3,7-dimethyloctenyl)] ether
8,9-Didehydro,5-Me ether-3-heptadecyl-2,5-dihydroxybenzoquinone
3alpha.12alpha-Dihydroxy-5beta-Delta7-cholensaeure
12beta,16alpha-diacetoxy-14beta,15-cyclopimarane|mimosol D
4-Hydroxy-3-(3-methylbut-2-en-1-yl)-6-pentadecyl-2H-pyran-2-one
4(18),12-Clerodadiene-15,16-diol-(ent-13Z)-Di-Ac|isolinaridiol diacetate|Z-isolinaridiol diacetate
16-isobutyryloxy-ent-labda-8(17),13Z-dien-15-oic acid
ent-3,13E-clerodadien-15-yl-methyl malonic acid diester
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
DEHP
D010968 - Plasticizers Di(2-ethylhexyl) phthlate (DEHP) is a manufactured chemical that is commonly added to plastics to make them flexible. DEHP is a colorless liquid with almost no odor. DEHP is present in plastic products such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, automobile upholstery and tops, packaging film and sheets, sheathing for wire and cable, medical tubing, and blood storage bags.
Nutriacholic acid
7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
5?-Cholanic Acid-3?-ol-6-one
CONFIDENCE standard compound; INTERNAL_ID 79
7-Ketolithocholic acid
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 80 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
12-Ketolithocholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 81 12-Ketodeoxycholic acid (12-Ketolithocholic acid) is a bile acid, metabolite from kidney. 12-Ketodeoxycholic acid can be a detectable marker for evidence of kidney injury[1]
Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate
CONFIDENCE standard compound; INTERNAL_ID 2527
Bis(2-ethylhexyl)phthalate
DEHP (Bis(2-ethylhexyl) phthalate) is an endogenous metabolite. DEHP (Bis(2-ethylhexyl) phthalate) is an endogenous metabolite.
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)-
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5a,6a)-
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5a,6a)-
Nutriacholate
7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
1,25-dihydroxy-2,4-dinor-1,3-secovitamin D3 / 1,25-dihydroxy-2,4-dinor-1,3-secocholecalciferol
(7E)-(1S)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-1,25-diol
(7E)-(1R)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-1,25-diol
(7E)-(3R)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-3,25-diol
25-dihydroxy-19-nor-22-oxavitamin D3 / 25-dihydroxy-19-nor-22-oxacholecalciferol
3alpha,7alpha-Dihydroxy-5beta-chol-16-en-24-oic Acid
bhas#24
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#24 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#24
An omega-hydroxy fatty acid ascaroside that is oscr#24 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
1,25-dihydroxy-2,4-dinor-1,3-secovitamin D3
1alpha,25-dihydroxy-3-deoxy-19-nor-22-oxavitamin D3
25-dihydroxy-19-nor-22-oxa-3-epivitamin D3
ST 24:2;O4
A dihydroxy-5beta-cholanic acid that is deoxycholic acid with a double bond at position 6. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3S-hydroxy-4R-methyl-2S-(n-eicos-11-yn-19-enyl)butanolide
Methyl lithocholate
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)magnesium dihydrate
1,3-BIS(2,6-DIISOPROPYLPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-3-IUM-2-IDE
Decanoic acid 2,3-bis[(trimethylsilyl)oxy]propyl ester
hexanedioic acid,2,2,11-trimethyldodecane-1,3-diol
Antroquinonol
An enone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 4, methoxy groups at positions 2 and 3, a methyl group at position 6 and a (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group at position 5 (the 4R,5R,6R stereoisomer). It is isolated from the solid-state fermented mycelium of the fungus Antrodia camphorata and has been found to exhibit potent cytotoxicity against a number of human cancer cell lines. However, a synthesis-enabled biological re-examination published in 2016, revealed minimal in vitro and in vivo antitumour activity in preclinical models. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(3R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytetradecanoic acid
(3R,13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytetradecanoic acid
12alpha-Hydroxy-5beta-cholan-24-oic acid methyl ester
3alpha-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
Dinopol NOP
D010968 - Plasticizers
8H-Purin-8-one, 6-amino-7,9-dihydro-2-((1S)-1-methylbutoxy)-9-(5-(1-piperidinyl)pentyl)-
N-stearoyltaurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-stearoyltaurine; major species at pH 7.3.
4-hydroxy-2,3-dimethoxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one
[(4aS)-4-(3-acetyloxy-3-methylpent-4-enyl)-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
N-[(1R,2R)-1-hydroxy-3-(4-morpholinyl)-1-phenylpropan-2-yl]decanamide
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
3alpha-Hydroxy-17-acetoxy-6alpha-methyl-5beta-pregnan-20-one
17-Acetoxy-6alpha-methyl-3beta-hydroxy-5beta-pregnan-20-one
[1-hydroxy-3-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoxy]propan-2-yl] propanoate
[3-carboxy-2-[(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl]-trimethylazanium
7alpha-Hydroxy-5beta-cholan-24-oic acid Methyl ester
7beta-Hydroxy-5beta-cholan-24-oic acid Methyl ester
12beta-Hydroxy-5beta-cholan-24-oic acid Methyl ester
12alpha-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
12beta-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
6alpha-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
6beta-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
7alpha-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
7beta-Hydroxy-5alpha-cholan-24-oic acid Methyl ester
2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxyacetic acid
[1-Carboxy-3-(3-decanoyloxy-2-hydroxypropoxy)propyl]-trimethylazanium
7-oxolithocholic acid
A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.
7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
A 3-oxo steroid that is chenodeoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone.
12alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
A 3-oxo-5beta-steroid that is 7-deoxycholic acid in which the hydroxy group at position 3 has undergone formal oxidation to the corresponding ketone.
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
3alpha,12alpha-Dihydroxy-5beta-chol-8(14)-en-24-oic Acid
3beta,7alpha-Dihydroxychol-5-en-24-oic Acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3beta,12alpha-Dihydroxychol-5-en-24-oic Acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
3beta,6beta-Dihydroxychol-4-en-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chol-7-en-24-oic Acid
3alpha,7alpha-Dihydroxy-5beta-chol-11-en-24-oic Acid
(22E)-3alpha,7beta-Dihydroxy-5beta-chol-22-en-24-oic Acid
(22E)-3alpha,12alpha-Dihydroxy-5beta-chol-22-en-24-oic Acid
3alpha,12beta-Dihydroxy-5beta-chol-6-en-24-oic Acid
3alpha,7beta-Dihydroxy-5beta-chol-11-en-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chol-8-en-24-oic Acid
7alpha,12alpha-Dihydroxy-5beta-chol-3-en-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chol-14-en-24-oic Acid
7alpha,12alpha-Dihydroxy-5beta-chol-2-en-24-oic Acid
3alpha,12alpha-Dihydroxy-5beta-chol-9(11)-en-24-oic Acid
3alpha,12beta-Dihydroxy-5beta-chol-9(11)-en-24-oic Acid
(22E)-3alpha,7alpha-Dihydroxy-5beta-chol-22-en-24-oic Acid
N-arachidonoyl-L-serine(1-)
A N-(fatty acyl)-L-serine(1-) that is the conjugate base of N-arachidonoyl-L-serine, resulting from the derotonation of the carboxy group. Major species at pH 7.3.
Ketodeoxycholic acid
Ketodeoxycholic acid, abbreviated as KDC, is a secondary bile acid that plays a crucial role in the digestion and absorption of fats in the human body. It is synthesized from cholesterol in the liver, where it is initially converted into primary bile acids such as cholic acid and chenodeoxycholic acid (CDCA). These primary bile acids are then transported to the intestines. In the intestines, gut bacteria act on these primary bile acids, converting some of them into secondary bile acids. Specifically, cholic acid is transformed into deoxycholic acid (DCA), while CDCA is converted into KDC. These secondary bile acids, including KDC, are then reabsorbed and returned to the liver, where they are resecreted into the bile. KDC, like other bile acids, aids in the emulsification of dietary fats, breaking them down into smaller droplets that are more easily acted upon by digestive enzymes. This process is essential for the absorption of dietary fats and fat-soluble vitamins. Additionally, bile acids, including KDC, are involved in the regulation of cholesterol metabolism, influencing the balance of cholesterol between the liver and the intestines. In summary, Ketodeoxycholic acid is a vital component of bile, contributing to the digestion and absorption of fats, as well as playing a role in cholesterol homeostasis.
Ketolithocholic acid
Ketolithocholic acid is a bile acid, which is a type of steroid acid found in the bile of mammals. It is synthesized from cholesterol in the liver and plays a crucial role in the digestion and absorption of lipid-soluble vitamins and the metabolism of lipids and cholesterol. Ketolithocholic acid is a specific type of bile acid, although it is not commonly found in nature and may be produced under certain conditions or through chemical synthesis.
2-[(8z)-heptadec-8-en-1-yl]-4,6-dihydroxybenzoic acid
methyl 4,4-dimethyl-1,5-bis(3-methylbut-2-en-1-yl)-3-(2-methylpropanoyl)-2-oxocyclohexane-1-carboxylate
[(1r,4s,5r,9s,10r,12s,13r)-5-[(acetyloxy)methyl]-5,9-dimethyltetracyclo[10.2.2.0¹,¹⁰.0⁴,⁹]hexadecan-13-yl]methyl acetate
(2e)-5-[(1s,2r,4ar,7r,8ar)-7-(acetyloxy)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
{14-ethoxy-2-hydroxy-5,9,14-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-11-en-5-yl}methyl acetate
2-hydroxy-6-[(8z)-16-hydroxyheptadec-8-en-1-yl]benzoic acid
n-{1-[7-amino-11a-(hydroxymethyl)-9a-methyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl}-n-hydroxyacetamide
5-(hydroxymethyl)-3-(icos-19-en-11-yn-1-yl)oxolan-2-one
4-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)-2-[2-(acetyloxy)ethyl]but-2-en-1-yl acetate
5-[3-(acetyloxy)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
(2r)-2-[(3r,6r)-6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4h-naphthalen-2-yl)ethyl]-1,2-dioxan-3-yl]propanoic acid
4-{11-hydroxy-9a,11a-dimethyl-7-oxo-tetradecahydrocyclopenta[a]phenanthren-1-yl}pentanoic acid
(2e)-5-[(4ar,5s,8as)-5-[(acetyloxy)methyl]-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
(2e)-5-[(1r,4as,6s,8ar)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl 3-methylbutanoate
(3s,4as,7as)-3-[(9e,11e,13e)-hexadeca-9,11,13-trien-1-yl]-3,4a-dimethyl-dihydro-4h-furo[3,2-c][1,2]dioxin-6-one
5,8-dihydroxy-2-pentadecyl-2,3-dihydro-1-benzopyran-4-one
tetradecyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
(2z)-4-[(1s,2r,4ar,8ar)-1,2,4a-trimethyl-5-methylidene-hexahydro-2h-naphthalen-1-yl]-2-[2-(acetyloxy)ethyl]but-2-en-1-yl acetate
methyl 3-(2-formyl-2,4b,8,8,10a-pentamethyl-decahydrophenanthren-1-yl)-2-methylpropanoate
4-hydroxy-2-undecyl-1,7-dioxadispiro[5.1.5⁸.2⁶]pentadeca-9,12-dien-11-one
(2e)-5-[(3s,4ar,8ar)-3-(acetyloxy)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
(4s,10s,12z,15s)-15-[(2r,3e)-hept-3-en-2-yl]-10,14-dihydroxy-4,11-dimethyl-5-methylidene-1-oxacyclopentadeca-8,12-dien-2-one
2-[2-(acetyloxy)ethenyl]-6,10,14-trimethylpentadeca-1,5,9-trien-1-yl acetate
3-(heptadec-10-en-1-yl)-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
(2e)-5-[(1s,4ar,8ar)-1-(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
n-[(1s)-1-[(1s,3as,3br,7s,9ar,9bs,11ar)-7-amino-11a-(hydroxymethyl)-9a-methyl-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl]-n-hydroxyacetamide
methyl 2-[(8e,10s)-10-hydroxypentadec-8-en-1-yl]-6-methoxybenzoate
5-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-3-{[(2-methylpropanoyl)oxy]methyl}pent-2-enoic acid
(2e)-5-[(3r,4ar,8ar)-3-(acetyloxy)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl acetate
3alpha-hydroxy-6-oxo-5alpha-cholanic acid
{"Ingredient_id": "HBIN007949","Ingredient_name": "3alpha-hydroxy-6-oxo-5alpha-cholanic acid","Alias": "3\u03b1-hydroxy-6-oxo-5\u03b1-cholanicacid","Ingredient_formula": "C24H38O4","Ingredient_Smile": "CC(CCC(=O)O)C1CCC2C1(CCC3C2C(=O)CC4C3(CCC(C4)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31245;10559","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
