| ID Source | ID |
|---|---|
| PubMed CID | 61144 |
| CHEMBL ID | 331157 |
| SCHEMBL ID | 116271 |
| MeSH ID | M0054320 |
| Synonym |
|---|
| EN300-19420 |
| .alpha.,.alpha.,.alpha.-trichloroacetamide |
| acetamide, 2,2,2-trichloro- |
| 2,2,2-trichloroacetamide |
| brn 1754028 |
| amid kyseliny trichloroctove [czech] |
| einecs 209-849-3 |
| ai3-15484 |
| nsc 16599 |
| acetamide, alpha-trichloro- |
| wln: zvxggg |
| 594-65-0 |
| 2,2-trichloroacetamide |
| trichloroacetamide |
| acetamide, .alpha.-trichloro- |
| nsc16599 |
| nsc-16599 |
| .alpha.,.alpha.-trichloroacetamide |
| trichloroacetimidate on wang resin, 100-200 mesh, extent of labeling: 0.75-1.25 mmol/g trichloroacetimidate loading, 1 % cross-linked |
| trichloroacetimidate on wang resin, 200-400 mesh, extent of labeling: 0.75-1.25 mmol/g trichloroacetimidate loading, 1 % cross-linked |
| trichloroacetamide, 99% |
| CHEMBL331157 , |
| 2,2,2-trichloro-acetamide |
| T0368 |
| AKOS004906855 |
| NCGC00248683-01 |
| NCGC00258090-01 |
| dtxsid5021671 , |
| dtxcid801671 |
| cas-594-65-0 |
| tox21_200536 |
| unii-i8bl3305ro |
| i8bl3305ro , |
| 4-02-00-00520 (beilstein handbook reference) |
| amid kyseliny trichloroctove |
| FT-0632474 |
| SCHEMBL116271 |
| Q-201861 |
| trichloro-acetamide |
| 2,2,2-chloroacetamide |
| F8889-7125 |
| mfcd00008009 |
| AS-12016 |
| bdbm50226187 |
| Q27280571 |
| SY049543 |
| Z104473774 |
Trichloroacetamide (TCAcAm) is an emerging nitrogenous DBP. TCAcAm could induce some changes associated with host-gut microbiota co-metabolism.
| Excerpt | Reference | Relevance |
|---|---|---|
| "Trichloroacetamide (TCAcAm) is an emerging nitrogenous DBP, and our previous study found that TCAcAm could induce some changes associated with host-gut microbiota co-metabolism." | ( Metagenomic and metabolomic analysis of the toxic effects of trichloroacetamide-induced gut microbiome and urine metabolome perturbations in mice. Deng, Y; Ren, H; Zhang, Y; Zhao, F; Zhao, Y, 2015) | 1.38 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " In this study, we used an integrated approach combining metagenomics, based on high-throughput sequencing, and metabolomics, based on nuclear magnetic resonance (NMR), to evaluate the toxic effects of TCAcAm exposure on the gut microbiome and urine metabolome." | ( Metagenomic and metabolomic analysis of the toxic effects of trichloroacetamide-induced gut microbiome and urine metabolome perturbations in mice. Deng, Y; Ren, H; Zhang, Y; Zhao, F; Zhao, Y, 2015) | 0.66 |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 36.7226 | 0.0060 | 38.0041 | 19,952.5996 | AID1159521; AID1159523 |
| GLI family zinc finger 3 | Homo sapiens (human) | Potency | 68.8687 | 0.0007 | 14.5928 | 83.7951 | AID1259369 |
| AR protein | Homo sapiens (human) | Potency | 77.2720 | 0.0002 | 21.2231 | 8,912.5098 | AID743042 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 68.8687 | 0.0002 | 29.3054 | 16,493.5996 | AID743079 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 46.9197 | 0.0006 | 27.2152 | 1,122.0200 | AID743219 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Alcohol dehydrogenase E chain | Equus caballus (horse) | Ki | 8,511.3799 | 0.1412 | 2.8927 | 8.7000 | AID33855 |
| Alcohol dehydrogenase S chain | Equus caballus (horse) | Ki | 8,511.3799 | 0.1412 | 2.8927 | 8.7000 | AID33855 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 2 (1.94) | 18.7374 |
| 1990's | 4 (3.88) | 18.2507 |
| 2000's | 39 (37.86) | 29.6817 |
| 2010's | 52 (50.49) | 24.3611 |
| 2020's | 6 (5.83) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.
| This Compound (28.18) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (1.90%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 103 (98.10%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| monoisopropanolamine monoisopropanolamine: possible industrial pollutant; structure. 1-aminopropan-2-ol : Any amino alcohol that is propan-2-ol substituted by an amino group at position 1. | 1.96 | 1 | 0 | amino alcohol; secondary alcohol | Escherichia coli metabolite |
| acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 1.96 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
| acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 1.96 | 1 | 0 | ketone body; methyl ketone; propanones; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent |
| ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.08 | 1 | 0 | azane; gas molecular entity; mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant |
| bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed) | 3.53 | 2 | 0 | halide anion; monoatomic bromine | |
| formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | 1.96 | 1 | 0 | monocarboxylic acid | antibacterial agent; astringent; metabolite; protic solvent; solvent |
| methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). | 1.96 | 1 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
| chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 3.13 | 1 | 0 | halide anion; monoatomic chlorine | cofactor; Escherichia coli metabolite; human metabolite |
| 3-cresol 3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | 1.96 | 1 | 0 | cresol | human xenobiotic metabolite |
| glycine [no description available] | 2.05 | 1 | 0 | alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid | EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical |
| hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 2.03 | 1 | 0 | elemental hydrogen; elemental molecule; gas molecular entity | antioxidant; electron donor; food packaging gas; fuel; human metabolite |
| hydroquinone [no description available] | 2.03 | 1 | 0 | benzenediol; hydroquinones | antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent |
| methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 1.96 | 1 | 0 | alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound | amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite |
| inositol Inositol: An isomer of glucose that has traditionally been considered to be a B vitamin although it has an uncertain status as a vitamin and a deficiency syndrome has not been identified in man. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1379) Inositol phospholipids are important in signal transduction.. inositol : Any cyclohexane-1,2,3,4,5,6-hexol.. 1D-chiro-inositol : Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction.. muco-inositol : An inositol that is cyclohexane-1,2,3,4,5,6-hexol having a (1R,2R,3r,4R,5S,6r)-configuration. | 2.05 | 1 | 0 | cyclitol; hexol | |
| nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28. | 7.47 | 2 | 0 | metal allergen; nickel group element atom | epitope; micronutrient |
| nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical. | 2.17 | 1 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | |
| pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole. | 1.96 | 1 | 0 | pyrazole | |
| pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 1.96 | 1 | 0 | azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines | environmental contaminant; NMR chemical shift reference compound |
| sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 2.04 | 1 | 0 | sulfur oxoacid | catalyst |
| 2-mercaptoacetate [no description available] | 1.96 | 1 | 0 | sulfur-containing carboxylic acid | |
| urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives. | 7.93 | 4 | 0 | isourea; monocarboxylic acid amide; one-carbon compound | Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 1.96 | 1 | 0 | ether; volatile organic compound | inhalation anaesthetic; non-polar solvent; refrigerant |
| fomepizole Fomepizole: A pyrazole and competitive inhibitor of ALCOHOL DEHYDROGENASE that is used for the treatment of poisoning by ETHYLENE GLYCOL or METHANOL.. fomepizole : A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4. | 1.96 | 1 | 0 | pyrazoles | antidote; EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; protective agent |
| guanidine Guanidine: A strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.. guanidine : An aminocarboxamidine, the parent compound of the guanidines. | 2.08 | 1 | 0 | carboxamidine; guanidines; one-carbon compound | |
| halothane [no description available] | 1.96 | 1 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
| iodoacetamide [no description available] | 1.96 | 1 | 0 | ||
| n-bromoacetamide [no description available] | 2.1 | 1 | 0 | ||
| trimethoprim Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. | 1.96 | 1 | 0 | aminopyrimidine; methoxybenzenes | antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic |
| galactose galactopyranose : The pyranose form of galactose. | 2.7 | 3 | 0 | D-galactose; galactopyranose | Escherichia coli metabolite; mouse metabolite |
| aniline [no description available] | 2.71 | 3 | 0 | anilines; primary arylamine | |
| dimethylnitrosamine Dimethylnitrosamine: A nitrosamine derivative with alkylating, carcinogenic, and mutagenic properties. It causes serious liver damage and is a hepatocarcinogen in rodents. | 1.96 | 1 | 0 | nitrosamine | geroprotector; mutagen |
| chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 1.96 | 1 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
| bromoacetate [no description available] | 1.96 | 1 | 0 | ||
| dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. | 2.1 | 1 | 0 | formamides; volatile organic compound | geroprotector; hepatotoxic agent; polar aprotic solvent |
| 1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1. | 1.96 | 1 | 0 | chloroethanes | polar solvent |
| threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. | 2.41 | 2 | 0 | amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine | algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. | 2.01 | 1 | 0 | arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid | biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical |
| methyl bromide methyl bromide: used in ionization chambers, degreasing wool, extracting oils; insect fumigant; high concentrations can produce pulmonary edema,narcosis; chronic exposure can cause CNS depression,kidney injury; RN given refers to parent cpd; structure. bromomethane : A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae. | 1.96 | 1 | 0 | bromohydrocarbon; bromomethanes; methyl halides | algal metabolite; fumigant insecticide; marine metabolite |
| ethylene Plastipore: high density polyethylene sponge biocompatible material; used as posts in dental bridges | 1.96 | 1 | 0 | alkene; gas molecular entity | plant hormone; refrigerant |
| acetylene [no description available] | 1.96 | 1 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| methyl chloride Methyl Chloride: A hydrocarbon used as an industrial solvent. It has been used as an aerosal propellent, as a refrigerant and as a local anesthetic. (From Martindale, The Extra Pharmacopoeia, 31st ed, p1403). chlorocarbon : Compounds consisting wholly of chlorine and carbon.. chloromethane : A one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group. | 1.96 | 1 | 0 | chloromethanes; methyl halides | marine metabolite; mutagen; refrigerant |
| methyl iodide methyl iodide: RN given refers to unlabeled cpd with MF of CH3-I. iodomethane : A member of the class of iodomethanes that is methane in which one of the hydrogens is replaced by iodine. | 1.96 | 1 | 0 | iodomethanes; methyl halides | fumigant insecticide |
| methylamine methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom. | 1.96 | 1 | 0 | methylamines; one-carbon compound; primary aliphatic amine | mouse metabolite |
| boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron. | 2.31 | 1 | 0 | boranes; mononuclear parent hydride | |
| methylacetylene methylacetylene: structure | 2.39 | 2 | 0 | alkyne; gas molecular entity; terminal acetylenic compound | |
| ethyl chloride Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead. | 1.96 | 1 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
| ethylamine ethylamine : A two-carbon primary aliphatic amine. | 1.96 | 1 | 0 | primary aliphatic amine | human metabolite |
| acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 1.96 | 1 | 0 | aliphatic nitrile; volatile organic compound | EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent |
| methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 1.96 | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
| difluoromethane difluoromethane: structure given in first source | 1.96 | 1 | 0 | fluoromethanes | refrigerant |
| 2-propylamine 2-propylamine: RN given refers to parent cpd | 1.96 | 1 | 0 | alkylamines; primary aliphatic amine | |
| 1,1-dichloroethane [no description available] | 1.96 | 1 | 0 | organochlorine compound | |
| 1,1-difluoroethane [no description available] | 1.96 | 1 | 0 | ||
| 1,1-difluoroethylene 1,1-difluoroethylene: structure | 1.96 | 1 | 0 | olefinic compound; organofluorine compound | |
| dichlorofluoromethane [no description available] | 1.96 | 1 | 0 | ||
| fluorocarbon 22 [no description available] | 1.96 | 1 | 0 | hydrochlorofluorocarbon | |
| nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. | 1.96 | 1 | 0 | primary nitroalkane; volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent |
| trifluoroethanol Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications. | 1.96 | 1 | 0 | fluoroalcohol | |
| trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. | 6.97 | 55 | 0 | monocarboxylic acid; organochlorine compound | carcinogenic agent; metabolite; mouse metabolite |
| freon 114 Freon 114: InChIKey: DDMOUSALMHHKOS-UHFFFAOYSA-N | 1.96 | 1 | 0 | ||
| perfluoroethane [no description available] | 1.96 | 1 | 0 | fluoroalkane; fluorocarbon | refrigerant |
| methylethyl ketone methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. | 1.96 | 1 | 0 | butanone; dialkyl ketone; methyl ketone; volatile organic compound | bacterial metabolite; polar aprotic solvent |
| trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups. | 1.96 | 1 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
| acrylamide [no description available] | 1.96 | 1 | 0 | acrylamides; N-acylammonia; primary carboxamide | alkylating agent; carcinogenic agent; Maillard reaction product; mutagen; neurotoxin |
| chloroacetamide [no description available] | 1.96 | 1 | 0 | ||
| n-methylacetamide N-methylacetamide: RN given refers to parent cpd. N-methylacetamide : A monocarboxylic acid amide that is the N-methyl derivative of acetamide. | 1.96 | 1 | 0 | acetamides; monocarboxylic acid amide | metabolite |
| methyl acetate methyl acetate : An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 degreeC) colourless, flammable liquid, it is used as a solvent for many resins and oils. | 1.96 | 1 | 0 | acetate ester; methyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; fragrance; polar aprotic solvent |
| nitroethane nitroethane : A nitroalkane that is ethane substituted by a nitro group. | 1.96 | 1 | 0 | primary nitroalkane | |
| methacrylamide [no description available] | 1.96 | 1 | 0 | acrylamides; primary carboxamide | |
| beta-glucono-1,5-lactone beta-glucono-1,5-lactone: structure. D-glucono-1,5-lactone : An aldono-1,5-lactone obtained from D-gluconic acid. | 2.03 | 1 | 0 | aldono-1,5-lactone; gluconolactone | animal metabolite; mouse metabolite |
| benzenesulfonamide [no description available] | 1.96 | 1 | 0 | sulfonamide | |
| nitrobenzene nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 1.96 | 1 | 0 | nitroarene; nitrobenzenes | |
| 3-nitrotoluene [no description available] | 1.96 | 1 | 0 | mononitrotoluene | |
| 3-dinitrobenzene dinitrobenzene : Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class.. 1,3-dinitrobenzene : A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. | 1.96 | 1 | 0 | dinitrobenzene | neurotoxin |
| anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 1.96 | 1 | 0 | monomethoxybenzene | plant metabolite |
| methylphenylsulfide thioanisole : An aryl sulfide that is thiophenol in which the hydrogen of the thiol group has been replaced by a methyl group. | 1.96 | 1 | 0 | aryl sulfide; benzenes | |
| 2-phenylacetamide 2-phenylacetamide: structure. 2-phenylacetamide : A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. | 1.96 | 1 | 0 | monocarboxylic acid amide | mouse metabolite |
| 1-butene but-1-ene : A butene with unsaturation at position 1. | 1.96 | 1 | 0 | butene | |
| propylamine propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1. | 1.96 | 1 | 0 | alkylamines | |
| acrylonitrile [no description available] | 1.96 | 1 | 0 | aliphatic nitrile; volatile organic compound | antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent |
| propargyl alcohol propargyl alcohol: irreversibly inactivates alcohol oxidase; RN given refers to parent cpd. prop-2-yn-1-ol : A terminal acetylenic compound that is prop-2-yne substituted by a hydroxy group at position 1. | 2.03 | 1 | 0 | propynol; terminal acetylenic compound; volatile organic compound | antifungal agent; Saccharomyces cerevisiae metabolite |
| 3-chloroaniline 3-chloroaniline: RN given refers to parent cpd | 1.96 | 1 | 0 | ||
| bromobenzene [no description available] | 1.96 | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
| chlorobenzene [no description available] | 1.96 | 1 | 0 | monochlorobenzenes | solvent |
| thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group. | 1.96 | 1 | 0 | aryl thiol | |
| 3-dimethylaminopropylamine 3-dimethylaminopropylamine: RN given refers to parent cpd; structure | 2.15 | 1 | 0 | ||
| ethyl vinyl ether ethyl vinyl ether: structure | 1.96 | 1 | 0 | ||
| pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 2.41 | 2 | 0 | pyrrole; secondary amine | |
| 2-ethoxyethanol 2-ethoxyethanol : A hydroxyether that is the ethyl ether derivative of ethylene glycol. | 1.96 | 1 | 0 | glycol ether; primary alcohol | protic solvent; teratogenic agent |
| propylene propylene: structure | 1.96 | 1 | 0 | alkene; gas molecular entity | refrigerant; xenobiotic |
| dimethyl ether dimethyl ether : An ether in which the oxygen atom is connected to two methyl groups. | 1.96 | 1 | 0 | ether | |
| 2,2,2-trichloroethanol [no description available] | 1.96 | 1 | 0 | chloroethanol | mouse metabolite |
| 2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 2.1 | 1 | 0 | naphthol | antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger |
| ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 1.96 | 1 | 0 | acetate ester; ethyl ester; volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite |
| cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil. | 1.96 | 1 | 0 | triazines | antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor |
| oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. | 2.78 | 3 | 0 | 1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene | |
| diethyl sulfide ethyl sulfide : An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group.. diethyl sulfide : An ethyl sulfide compound having two ethyl groups attached to a sulfur atom. | 1.96 | 1 | 0 | ethyl sulfide | |
| 2-fluoroethanol [no description available] | 1.96 | 1 | 0 | ||
| fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. | 1.96 | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| propadiene [no description available] | 1.96 | 1 | 0 | allenes | |
| dimethylacetylene dimethylacetylene: structure in source | 1.96 | 1 | 0 | ||
| oleanolic acid [no description available] | 2.44 | 2 | 0 | hydroxy monocarboxylic acid; pentacyclic triterpenoid | plant metabolite |
| copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters. | 2.03 | 1 | 0 | organic molecular entity | |
| cellobiose beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue. | 2.03 | 1 | 0 | cellobiose | epitope |
| eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions. | 2.25 | 1 | 0 | organic sodium salt; organobromine compound | fluorochrome; histological dye |
| nitrosobenzene [no description available] | 1.96 | 1 | 0 | benzenes; nitroso compound | xenobiotic metabolite |
| iodobenzene iodobenzene: RN given refers to unlabeled parent cpd | 1.96 | 1 | 0 | ||
| fluoromethane fluoromethane: RN given refers to parent cpd. fluorocarbon : Compounds consisting wholly of fluorine and carbon.. fluoromethane : A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom. | 1.96 | 1 | 0 | fluorohydrocarbon; fluoromethanes; methyl halides | refrigerant |
| diisopropylnitrosamine [no description available] | 1.96 | 1 | 0 | ||
| pinacolyl methylphosphonic acid pinacolyl methylphosphonic acid: structure in first source | 2.41 | 1 | 0 | ||
| fluoroacetamide 2-fluoroacetamide : Acetamide substituted at C-2 by a fluorine atom. | 1.96 | 1 | 0 | 2-fluoroacetamides | |
| 2,2-dichloroacetamide [no description available] | 3.15 | 5 | 0 | ||
| methylnitrosourea Methylnitrosourea: A nitrosourea compound with alkylating, carcinogenic, and mutagenic properties.. N-methyl-N-nitrosourea : A member of the class of N-nitrosoureas that is urea in which one of the nitrogens is substituted by methyl and nitroso groups. | 1.96 | 1 | 0 | N-nitrosoureas | alkylating agent; carcinogenic agent; mutagen; teratogenic agent |
| methyl phenyl sulfoxide (methylsulfinyl)benzene : A sulfoxide resulting from the formal oxidation of the sulfur atom of thioanisole. | 1.96 | 1 | 0 | benzenes; sulfoxide | |
| 2,5-dihydrofuran 2,5-dihydrofuran: structure in first source | 1.96 | 1 | 0 | ||
| fucose Fucose: A six-member ring deoxysugar with the chemical formula C6H12O5. It lacks a hydroxyl group on the carbon at position 6 of the molecule.. L-fucopyranose : The pyranose form of L-fucose.. fucose : Any deoxygalactose that is deoxygenated at the 6-position. | 2.8 | 3 | 0 | fucopyranose; L-fucose | Escherichia coli metabolite; mouse metabolite |
| dichloroacetonitrile dichloroacetonitrile: by-product of water chlorination; structure given in first source | 2.51 | 2 | 0 | aliphatic nitrile | |
| mannose mannopyranose : The pyranose form of mannose. | 3.43 | 7 | 0 | D-aldohexose; D-mannose; mannopyranose | metabolite |
| 4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine 4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine: structure in first source | 1.96 | 1 | 0 | ||
| diaveridine diaveridine: RN given refers to parent cpd; structure. diaveridine : An aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species. | 1.96 | 1 | 0 | aminopyrimidine | antiparasitic agent; drug allergen |
| iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22. | 2.49 | 2 | 0 | cobalt group element atom; platinum group metal atom | |
| palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46. | 3.55 | 8 | 0 | metal allergen; nickel group element atom; platinum group metal atom | |
| rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 2.98 | 4 | 0 | cobalt group element atom | |
| bromine Bromine: A halogen with the atomic symbol Br, atomic number 35, and atomic weight 79.904. It is a volatile reddish-brown liquid that gives off suffocating vapors, is corrosive to the skin, and may cause severe gastroenteritis if ingested. | 2.21 | 1 | 0 | diatomic bromine | |
| deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 2.76 | 3 | 0 | dihydrogen | |
| fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries. | 2.02 | 1 | 0 | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound |
| chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family. | 2.57 | 2 | 0 | diatomic chlorine; gas molecular entity | bleaching agent |
| rhamnose [no description available] | 2.43 | 2 | 0 | L-rhamnose | |
| salen disalicylaldehyde ethylenediamine: reagents for determination of iron | 2.11 | 1 | 0 | ||
| tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. | 2.11 | 1 | 0 | ||
| fluorides [no description available] | 3.13 | 1 | 0 | halide anion; monoatomic fluorine | |
| 1-deoxynojirimycin 1-deoxy-nojirimycin: structure in first source. duvoglustat : An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration. | 2.03 | 1 | 0 | 2-(hydroxymethyl)piperidine-3,4,5-triol; piperidine alkaloid | anti-HIV agent; anti-obesity agent; bacterial metabolite; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; hypoglycemic agent; plant metabolite |
| phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 3.13 | 1 | 0 | benzenes; phenyl acetates | |
| tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 1.96 | 1 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
| alkenes [no description available] | 2.48 | 2 | 0 | ||
| azides Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 2.07 | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
| acetylgalactosamine Acetylgalactosamine: The N-acetyl derivative of galactosamine. | 1.98 | 1 | 0 | N-acetyl-D-hexosamine; N-acetylgalactosamine | Escherichia coli metabolite; human metabolite; mouse metabolite |
| trifluoromethanesulfonic acid trifluoromethanesulfonic acid: deblocking reagent for peptide synthesis; RN given refers to parent cpd. triflic acid : A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. | 2.07 | 1 | 0 | one-carbon compound; perfluoroalkanesulfonic acid | |
| glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages. | 2.7 | 3 | 0 | D-glucopyranose | epitope; mouse metabolite |
| nojirimycin nojirimycin: from Streptomyces ficellus; RN given refers to parent cpd without isomeric designation | 2.03 | 1 | 0 | amino monosaccharide; hydroxypiperidine | |
| trimethylsilyl trifluoromethanesulfonate trimethylsilyl trifluoromethanesulfonate: deprotecting cpd for peptides | 2.04 | 1 | 0 | ||
| trifluoroacetamide [no description available] | 2.37 | 2 | 0 | ||
| isobutyramide [no description available] | 1.96 | 1 | 0 | carboximidic acid | |
| 5-iodouracil 5-iodouracil: RN given refers to parent cpd. 5-iodouracil : An organoiodine compound consisting of uracil having an iodo substituent at the 5-position. | 1.96 | 1 | 0 | organoiodine compound | antimetabolite |
| tyrosyltyrosine tyrosyltyrosine: RN given refers to all-(L)-isomer. tyrosyltyrosine : A dipeptide comprising tyrosine with a tyrosyl residue attached to the alpha-nitrogen.. Tyr-Tyr : Tyrosyltyrosine in which each tyrosine residue has L-configuration. | 2.11 | 1 | 0 | tyrosyltyrosine | Mycoplasma genitalium metabolite |
| hederagenin [no description available] | 2.02 | 1 | 0 | dihydroxy monocarboxylic acid; pentacyclic triterpenoid; sapogenin | plant metabolite |
| n-benzylformamide [no description available] | 1.96 | 1 | 0 | formamides | |
| 2,4-diamino-5-benzylpyrimidine 2,4-diamino-5-benzylpyrimidine: structure given in first source | 1.96 | 1 | 0 | ||
| alanyltyrosine alanyltyrosine: tyrosine source; RN given refers to (L)-isomer. Ala-Tyr : A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage. | 2.11 | 1 | 0 | dipeptide | metabolite |
| glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form. | 2.02 | 1 | 0 | D-glucuronic acid | algal metabolite |
| cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.11 | 1 | 0 | cobalt group element atom; metal allergen | micronutrient |
| deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen. | 2.07 | 1 | 0 | ||
| n-iodosuccinimide [no description available] | 2.04 | 1 | 0 | dicarboximide; pyrrolidinone | |
| 4-o-alpha-d-galactopyranosyl-d-galactose 4-O-alpha-D-galactopyranosyl-D-galactose: carbohydrate part of receptor on human uroepithelial cells; RN given refers to (alpha-D,D)-isomer | 2 | 1 | 0 | O-acyl carbohydrate | |
| stannane [no description available] | 2.17 | 1 | 0 | mononuclear parent hydride; tin hydride | |
| xylose xylopyranose: structure in first source | 2.46 | 2 | 0 | D-xylose | |
| beta-lactams 2-azetidinone: structure in first source. azetidin-2-one : An unsubstituted beta-lactam compound.. beta-lactam : A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon. | 2.41 | 1 | 0 | beta-lactam antibiotic allergen; beta-lactam | |
| hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent. | 2.02 | 1 | 0 | oxygen hydride; oxygen radical; reactive oxygen species | |
| carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted. | 1.96 | 1 | 0 | carbodiimide | |
| arabinose [no description available] | 2.17 | 1 | 0 | L-arabinose | Escherichia coli metabolite; mouse metabolite |
| glucosamine D-glucosamine : An amino sugar whose structure comprises D-glucose having an amino substituent at position 2.. 2-amino-2-deoxy-D-glucopyranose : A D-glucosamine whose structure comprises D-glucopyranose having an amino substituent at position 2. | 2.72 | 3 | 0 | D-glucosamine | Escherichia coli metabolite; geroprotector; mouse metabolite |
| lyxose D-lyxose : Any lyxose having D-configuration.. D-lyxopyranose : The pyranose form of D-lyxose. | 2.08 | 1 | 0 | D-lyxose | |
| arbutin hydroquinone O-beta-D-glucopyranoside : A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. | 2.03 | 1 | 0 | beta-D-glucoside; monosaccharide derivative | Escherichia coli metabolite; plant metabolite |
| tris(perfluorophenyl)borane tris(perfluorophenyl)borane: structure in first source | 2.31 | 1 | 0 | ||
| glycosides [no description available] | 10.45 | 19 | 0 | ||
| thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. | 2.72 | 3 | 0 | one-carbon compound; thioureas; ureas | antioxidant; chromophore |
| krn 7000 KRN 7000: has an alpha-galactosylceramide structure; structure given in first source. alpha-galactosylceramide : A galactosylceramide in which the galactosyl residue has alpha anomeric conofiguration.. 1-O-(alpha-D-galactosyl)-N-hexacosanoylphytosphingosine : A glycophytoceramide having an alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. | 2.11 | 1 | 0 | glycophytoceramide; N-acyl-beta-D-galactosylphytosphingosine | allergen; antigen; antineoplastic agent; epitope; immunological adjuvant |
| lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER. | 2.41 | 1 | 0 | alkali metal atom | |
| n-ethylthiourea [no description available] | 1.96 | 1 | 0 | thioureas | |
| 5-nitroso-salicylate 5-nitroso-salicylate: metabolite of 5-aminosalicylic acid | 1.96 | 1 | 0 | hydroxybenzoic acid | |
| alanyl-alanyl-alanine alanyl-alanyl-alanine: RN given refers to all (L)-isomer. Ala-Ala-Ala : A tripeptide composed of three L-alanine units joined by peptide linkages. | 2.11 | 1 | 0 | tripeptide | metabolite |
| tetrodotoxin Tetrodotoxin: An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order TETRAODONTIFORMES, which are eaten. The toxin causes paresthesia and paralysis through interference with neuromuscular conduction.. tetrodotoxin : A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels. | 2.08 | 1 | 0 | azatetracycloalkane; oxatetracycloalkane; quinazoline alkaloid | animal metabolite; bacterial metabolite; marine metabolite; neurotoxin; voltage-gated sodium channel blocker |
| tellurium Tellurium: An element that is a member of the chalcogen family. It has the atomic symbol Te, atomic number 52, and atomic weight 127.60. It has been used as a coloring agent and in the manufacture of electrical equipment. Exposure may cause nausea, vomiting, and CNS depression. | 3.13 | 1 | 0 | chalcogen; metalloid atom | |
| trisialoganglioside gt1 [no description available] | 2.05 | 1 | 0 | ||
| beta-escin [no description available] | 2.73 | 3 | 0 | ||
| g(m1) ganglioside G(M1) Ganglioside: A specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.. ganglioside GM1 : A sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage. | 2.05 | 1 | 0 | alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide | |
| alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc Sialyl Lewis X Antigen: A sialylated version of Lewis X antigen expressed on cell surfaces. It is a ligand for SELECTINS.. alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc : A branched amino tetrasaccharide consisting of a sialyl residue, linked (2->3) to a galactosyl residue that in turn is linked (1->4) to a glucosaminyl residue, which is also carrying a fucosyl residue at the 3-position. | 2.42 | 2 | 0 | amino tetrasaccharide; glucosamine oligosaccharide | epitope |
| uridine diphosphate n-acetylmuramic acid Uridine Diphosphate N-Acetylmuramic Acid: A nucleoside diphosphate sugar which is formed from UDP-N-acetylglucosamine and phosphoenolpyruvate. It serves as the building block upon which peptidoglycan is formed.. UDP-N-acetyl-alpha-D-muramate(3-) : A UDP-N-acetyl-D-muramate(3-) in which the anomeric centre of the pyranose fragment has alpha-configuration. | 2.1 | 1 | 0 | UDP-N-acetylmuramate(3-) | |
| arabinogalactan [no description available] | 2 | 1 | 0 | ||
| mannans [no description available] | 2.02 | 1 | 0 | ||
| ganglioside, gd1a [no description available] | 2.05 | 1 | 0 | ||
| glycolipids [no description available] | 2.44 | 2 | 0 | ||
| piperidines Piperidines: A family of hexahydropyridines. | 2.07 | 1 | 0 | ||
| novobiocin Novobiocin: An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189). novobiocin : A coumarin-derived antibiotic obtained from Streptomyces niveus. | 2 | 1 | 0 | carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols | antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent |
| g(m3) ganglioside G(M3) Ganglioside: A ganglioside present in abnormally large amounts in the brain and liver due to a deficient biosynthetic enzyme, G(M3):UDP-N-acetylgalactosaminyltransferase. Deficiency of this enzyme prevents the formation of G(M2) ganglioside from G(M3) ganglioside and is the cause of an anabolic sphingolipidosis.. alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:1(15Z)) : A sialotriaosylceramide consisting of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide(d18:1/24:1(15Z)). | 2.05 | 1 | 0 | alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide | mouse metabolite |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Weight Reduction [description not available] | 0 | 2.08 | 1 | 0 |
| Weight Loss Decrease in existing BODY WEIGHT. | 0 | 2.08 | 1 | 0 |
| Extravascular Hemolysis [description not available] | 0 | 2.02 | 1 | 0 |
| Hemolysis The destruction of ERYTHROCYTES by many different causal agents such as antibodies, bacteria, chemicals, temperature, and changes in tonicity. | 0 | 2.02 | 1 | 0 |