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Chemical Compound table
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typelibrarian for the Chemistry Commons
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Chemical Compound
- Formula
- Structure (SMILES)
- Structure (InChI)
- CAS ID
- IUAPC ID
- PubChem ID
- » Phase, At STP
- Average Molar Mass (g/mol)
- Melting point
- Boiling point
- Critical point temperature
- Critical point pressure
- Triple point temperature
- Triple point pressure
- Enthalpy Change of Fusion
- Entropy Change of Fusion
- Enthalpy Change of Vaporization
- Entropy Change of Vaporization (J/(K*mol))
- Enthalpy Change of Formation, Solid (kJ/mol)
- Molar Entropy, Solid (J/(K*mol))
- Heat Capacity, Solid (J/(K*mol))
- Enthalpy Change of Formation, Liquid (kJ/mol)
- Molar Entropy, Liquid (J/(K*mol))
- Heat Capacity, Liquid (J/(K*mol))
- Enthalpy Change of Formation, Gas (kJ/mol)
- Molar Entropy, Gas (J/(K*mol))
- Heat Capacity, Gas (J/(K*mol))
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| x name | x image | x Formula | x Structure (SMILES) | x Structure (InChI) | x article |
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| x Propyl alcohol |
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C3H8O | CCCO |
Description could not be displayed
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| x Benzilic acid |
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OC(C(O)=O)(c1ccccc1)c2ccccc2 |
Benzilic acid is a white crystalline aromatic acid soluble in many primary alcohols. It can be prepared by heating mixture of benzil, alcohol and potassium hydroxide. The other preparation way is through benzaldehyde, which dimerizates to benzil and...
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| x Dimethylbenzylamine |
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CN(C)Cc1ccccc1 | 1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 |
Dimethylbenzylamine is the organic compound with the formula C6H5CH2N(CH3)2. The molecule contains the benzyl group, C6H5CH2, attached to a dimethylamino functional group. It is used as a catalyst for the formation of polyurethane foams and epoxy...
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| x N-Phenethyl-4-piperidinone |
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C13H17NO | C1CN(CCC1=O)CCC2=CC=CC=C2 |
N-Phenethyl-4-piperidinone (NPP) is a derivative of 4-piperidinone with the molecular formula C13H17NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs such as fentanyl.
Because of its use in the...
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| x 4-Piperidinone |
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C5H9NO |
4-Piperidinone (4-piperidone, piperidin-4-one) is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs (e.g., fentanyl).
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| x Crown ether |
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Crown ethers are heterocyclic chemical compounds that consist of a ring containing several ether groups. The most common crown ethers are oligomers of ethylene oxide, the repeating unit being ethyleneoxy, i.e., -CH2CH2O-. Important members of this...
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| x 8-Hydroxyquinoline |
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OC1=C(N=CC=C2)C2=CC=C1 |
8-Hydroxyquinoline is an organic compound with the formula C9H7NO. It is a derivative of the heterocycle quinoline by placement of an OH group on carbon number 8. This colorless compound is widely used commercially, although under a variety of names...
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| x 1,2-bis(dimethylarsino)benzene |
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1,2-Bis(dimethylarsino)benzene is the chemical compound with the formula C6H4(As(CH3)2)2. The molecule consists of two dimethylarsino groups attached to adjacent carbon centers of a benzene ring. It is a chelating ligand in coordination chemistry....
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| x Bipyridine |
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Bipyridines form a family of chemical compounds with the formula (C5H4N)2. They are derived by the coupling of two pyridine rings. Six isomers of bipyridine exist. Two isomers are prominent: 2,2'-bipyridine is a popular ligand in coordination...
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| x Gluconic acid |
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C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Mg+2] |
Gluconic acid is an organic compound with molecular formula C6H12O7 and condensed structural formula HOCH2(CHOH)4COOH. In aqueous solution at neutral pH, gluconic acid forms the gluconate ion. The salts of gluconic acid are known as "gluconates"....
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| x Terpyridine |
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In chemistry, terpyridine (2,2';6',2"-terpyridine) is a polypyridine compound in which three pyridine molecules are bound with a single bond. Its molecular formula is C15H11N3.
Terpyridine was first synthesized by G. Morgan and F. H. Burstall in...
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| x Dibenzofuran |
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Dibenzofuran, is a heterocyclic organic compound with the chemical structure shown at right. It is an aromatic compound that has two benzene rings fused to one furan ring in the middle. All of the numbered carbon atoms have a hydrogen atom bonded to...
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| x MCPA |
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MCPA or 2-methyl-4-chlorophenoxyacetic acid is a powerful, selective, widely-used phenoxy herbicide. The pure compound is a brown-colored powder.
Synthesis of MCPA was first reported by Synerholme and Zimmerman in 1945 and by Templeman and Foster in...
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| x Methazole |
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CN1C(=O)N(OC1=O)C2=CC(=C(C=C2)Cl)Cl |
Methazole (C9H6Cl2N2O3) is a herbicide in the family of herbicides known as oxadiazolones.
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| x Morpholine |
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Morpholine is an organic chemical compound having the chemical formula O(CH2CH2)2NH. This heterocycle, pictured at right, features both amine and ether functional groups. Because of the amine, morpholine is a base; its conjugate acid is called...
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| x Pyridine |
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Pyridine is a simple aromatic heterocyclic organic compound with the chemical formula C5H5N used as a precursor to agrochemicals and pharmaceuticals, and is also an important solvent and reagent. It is structurally related to benzene, wherein one CH...
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| x Aziridine |
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Aziridines are a group of organic compounds sharing the aziridine functional group which is a three membered heterocycle with one amine group and two methylene groups. The parent compound of the aziridines is called aziridine (or ethylene imine)...
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| x Water |
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H2O | InChI=1/H2O/h1H2 |
Water (H2O, HOH) is the most abundant molecule on Earth's surface, constituting about 75% of the Earth's surface. In nature it exists in liquid, solid, and gaseous states. It is in dynamic equilibrium between the liquid and gas states at standard...
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| x Tetrahydrocannabinol |
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C21H30O2 | C1=C(CC[C@@H]3[C@@H]1C2=C(C=C(C=C2OC3(C)C)CCCCC)O[H])C |
Tetrahydrocannabinol (pronounced /ˌtɛtrəˌhaɪdrəkəˈnæbɨnɒl/, tet-rə-HYE-drə-kə-NAB-i-nol) (THC), also known as delta-9-tetrahydrocannabinol (Δ-THC), Δ-THC (using an older chemical nomenclature), or dronabinol, is the main psychoactive substance found...
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| x Hydrogen sulfide |
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Hydrogen sulfide (or hydrogen sulphide) is the chemical compound with the formula H2S. This colorless, toxic and flammable gas is partially responsible for the foul odor of rotten eggs and flatulence.
It often results from the bacterial break down...
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| x Cyanide |
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A cyanide is any chemical compound that contains the cyano group (C≡N), which consists of a carbon atom triple-bonded to a nitrogen atom. These compounds are usually poisonous. Inorganic cyanides are hydrogen cyanide salts in which cyanide is...
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| x Hydrogen cyanide |
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Hydrogen cyanide (with the historical common name of Prussic acid) is a chemical compound with chemical formula HCN. A solution of hydrogen cyanide in water is called hydrocyanic acid. Hydrogen cyanide is a colorless, extremely poisonous, and highly...
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| x Butane |
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Butane, also called n-butane, is the unbranched alkane with four carbon atoms, CH3CH2CH2CH3. Butane is also used as a collective term for n-butane together with its only other isomer, isobutane (also called methylpropane), CH(CH3)3.
Butanes are...
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| x Propane |
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Propane is a three-carbon alkane, normally a gas, but compressible to a transportable liquid. It is derived from other petroleum products during oil or natural gas processing. It is commonly used as a fuel for engines, oxy-gas torches, barbecues,...
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| x Bromobimane |
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Bromobimane is a heterocyclic compound that is used as a reagent in biochemistry. It alkylates thiol groups, replacing the H with a fluorescent tag (λemission = 478 nm). Its alkylating properties are comparable to iodoacetamide.
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| x Xanthine |
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O=C1NC(=O)c2[nH]cnc2N1 |
Xanthine (pronounced /ˈzænθiːn, ˈzænθaɪn]/), (3,7-dihydro-purine-2,6-dione), is a purine base found in most body tissues and fluids and in other organisms. A number of mild stimulants are derived from xanthine, including caffeine and theobromine....
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| x Chlorodifluoromethane |
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C(F)(F)Cl | 1/CHClF2/c2-1(3)4/h1H |
Chlorodifluoromethane or difluoromonochloromethane is a hydrochlorofluorocarbon (HCFC). This colorless gas is better known as HCFC-22, R-22. It was once commonly used as a propellant and in air conditioning applications. These applications are being...
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| x Prostratin | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C |
Prostratin is a protein kinase C activator found in the bark of the mamala tree of Samoa, Homalanthus nutans (Euphorbiaceae). While prostratin was originally isolated and identified as a new phorbol from species of the genus Pimelea (Thymelaceae) in...
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| x Iodoform |
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C(I)(I)I | 1/CHI3/c2-1(3)4/h1H |
Iodoform is the organoiodine compound with the formula CHI3. A pale yellow, crystalline, volatile substance, it has a penetrating odor (in older chemistry texts, the smell is sometimes referred to as the smell of hospitals) and, analogous to...
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| x Metanephrine |
Metanephrine is a metabolite of epinephrine created by action of catechol-O-methyl transferase on epinephrine. A March 20, 2002 article in the Journal of the American Medical Association indicated that the measurement of plasma free metanephrines is...
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| x Beta-carotene |
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CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C |
β-Carotene is an organic compound - a terpenoid, a red-orange pigment abundant in plants and fruits. As a carotene with β-rings at both ends, it is the most common form of carotene. It is a precursor (inactive form) of vitamin A. Being highly...
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| x Pepstatin |
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CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O |
Pepstatin is a potent inhibitor of aspartyl proteases. It is a hexa-peptide containing the unusual amino acid statine (Sta, (3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid), having the sequence Iva-Val-Val-Sta-Ala-Sta. It was originally isolated...
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| x Psicose |
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C(C(C(C(C(=O)CO)O)O)O)O |
D-Psicose (D-ribo-2-hexulose, C6H12O6) is an ultralow-energy monosaccharide sugar. It is a C-3 epimer of D-fructose, and is present in small quantities in agricultural products and commercially-prepared carbohydrate complexes. It is known as a "rare...
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| x Sulfanilic acid | C1=CC(=CC=C1N)S(=O)(=O)O | InChI=1/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)/f/h8H |
Sulfanilic acid (4-aminobenzene sulfonic acid ) is a colourless crystalline solid produced from sulfonation of aniline.
It readily forms diazo compounds and is used to make dyes and sulpha drugs.
Sulphanilic acid exists as a zwitterion, and has an...
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| x Succinyl-CoA |
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Succinyl-Coenzyme A, generally abbreviated as Succinyl-CoA or SucCoA is a combination of succinic acid and coenzyme A.
It is an important intermediate in the citric acid cycle, where it is synthesized from α-Ketoglutarate by α-ketoglutarate...
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| x Nordihydrocapsaicin |
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CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
Nordihydrocapsaicin is a capsaicinoid and analog and congener of capsaicin in chili peppers (Capsicum).
Like capsaicin, it is an irritant. Nordihydrocapsaicin accounts for about 7% of the total capsaicinoids mixture and has about half the pungency...
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| x Phytanic acid |
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Phytanic acid (or 3,7,11,15-tetramethyl hexadecanoic acid) is present in human diet or in animal tissues where it may be derived from chlorophyll in plant extracts. Phytanic acid derives from the corresponding alcohol, phytol, and is oxidized into...
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| x Ribulose |
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Ribulose is a ketopentose — a monosaccharide containing five carbon atoms, and including a ketone functional group. It has chemical formula C5H10O5. Two enantiomers are possible, D-ribulose (D-erythro-pentulose) and L-ribulose (L-erythro-pentulose)....
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| x CGS21680 |
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CGS-21680 is a specific adenosine A2A subtype receptor agonist. It is usually presented as an organic hydrochloride salt with a molecular weight of 536.0 g/M. It is soluble up to 3.4 mg/mL in DMSO and 20 mg/mL in 45% (w/v) aq 2-hydroxypropyl-β...
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| x 3,3'-Diindolylmethane |
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C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43 | 1/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2 |
3,3′-Diindolylmethane or DIM is an anticarcinogen compound derived from the digestion of indole-3-carbinol, found in Brassica vegetables such as broccoli and cauliflower. The reputation of Brassica vegetables as medicinal plants rests in part on the...
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| x Gyromitrin | C/C=N/N(C)C=O | 1/C4H8N2O/c1-3-5-6(2)4-7/h3-4H,1-2H3/b5-3+ |
Gyromitrin is a toxic and possibly carcinogenic chemical present in most members of the fungal genus Gyromitra, most notably the false morel G. esculenta. In the body it is metabolized to monomethylhydrazine (MMH).
The toxicity is caused by the...
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| x Thymidine monophosphate |
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Thymidine monophosphate, also known as 5'-thymidylic acid, thymidylate, TMP, or less commonly dTMP, is a nucleotide that is found in DNA. It is an ester of phosphoric acid with the nucleoside thymidine. TMP consists of a phosphate group, the pentose...
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| x Malonyl-CoA |
Malonyl-CoA is a coenzyme A derivative.
It plays a key role in chain elongation in fatty acid biosynthesis and polyketide biosynthesis.
Malonyl-CoA is also used in transporting alpha-ketoglutarate across the mitochondrial membrane into the...
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| x Aconitate |
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Aconitic acid is an organic acid. The conjugate base of aconitic acid, aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is acted upon by aconitase.
Aconitic acid can be synthesized by...
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| x Phenylacetylcarbinol |
Phenylacetylcarbinol (abbreviated PAC) is an organic compound used as a chemical precursor in the synthesis of pharmaceuticals such as pseudoephedrine. A chiral molecule, generally only the laevo diastereomer of phenylacetylcarbinol (abbreviated...
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| x Neuromedin N |
Neuromedin N is a neuropeptide derived from neurotensin.
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| x 5,12-Bisnaphthacene |
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c12ccccc1cc3c(c(C#Cc6ccccc6)c(cccc5)c5c3C#Cc4ccccc4)c2 | 1/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H |
5,12-Bis(phenylethynyl)naphthacene is a fluorescent dye used in lightsticks. It yields orange light.
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| x Cnicin |
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Cnicin is a sesquiterpene lactone, esterified with a substituted acrylic acid, and belonging to the germacranolide class of natural products. It is mainly found in Cnicus (Cnicus benedictus L. (Asteraceae)), and is present in spotted knapweed plants...
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| x Fructose 2,6-bisphosphate |
Fructose 2,6-bisphosphate (or fructose 2,6-diphosphate), abbreviated Fru-2,6-P2, is a metabolite which allosterically affects the activity of the enzymes phosphofructokinase 1 (PFK-1) and fructose 1,6-bisphosphatase (FBPase-1) to regulate glycolysis...
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| x Scheele's Green |
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O[As]([O-])[O-].[Cu+2] |
Scheele's Green, also called Schloss Green, is chemically a cupric hydrogen arsenite (also called copper arsenite or acidic copper arsenite), CuHAsO3. It is a compound similar to Paris Green. It is a green pigment, of yellowish hue and was used in...
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| x Butyrophenone | CCCC(=O)C1=CC=CC=C1 |
Butyrophenone is a chemical compound (a ketone); some of its derivatives (called commonly butyrophenones) are used to treat various psychiatric disorders such as schizophrenia, as well as acting as antiemetics.
Butyrophenones are a class of...
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| x Adenylosuccinate |
Adenylosuccinate is an intermediate in purine metabolism.
It is formed from inosine monophosphate by adenylosuccinate synthase.
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| x Deoxycytidine diphosphate | Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
Deoxycytidine diphosphate is a derivative of the common nucleic acid, cytidine triphosphate or (CTP), in which the hydroxyl or (-OH) group on the 2nd carbon of the nucleotide's pentose has been removed -- hence the deoxy- part of the name. The...
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| x 3-Nitrobenzyl alcohol | C1=CC(=CC(=C1)[N+](=O)[O-])CO |
The compound 3-nitrobenzyl alcohol is an organic compound with the formula C7H7NO3.
In mass spectrometry this compound is often abbreviated as "3-NBA." It has been used as a liquid matrix for fast atom bombardment and matrix-assisted laser...
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| x 3'-Phosphoadenosine-5'-phosphosulfate |
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C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O |
3'-Phosphoadenosine-5'-phosphosulfate is a specific type of adenosine that is phosphorylated at the 3' and 5' positions, with an additional sulfate group on the 5' phosphate. It acts as a coenzyme in sulfotransferase reactions.
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| x Gentian violet |
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Gentian violet (crystal violet, Methyl Violet 10B, hexamethyl pararosaniline chloride) is an antifungal agent, the primary agent used in the Gram stain test, perhaps the single most important bacterial identification test in use today, and it is...
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| x Palmitoyl CoA |
Palmitoyl CoA is an acyl-CoA thioester used in the biosynthesis of sphingosine:
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| x Aniracetam |
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COC1=CC=C(C=C1)C(=O)N2CCCC2=O |
Aniracetam (Draganon, Sarpul, Ampamet) is a nootropic compound of the racetam family purported to be considerably more potent than piracetam. It is lipid soluble and has possible cognition enhancing effects. It has been tested in animals extensively...
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| x Iditol |
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Iditol is a sugar alcohol which accumulates in galactokinase deficiency.
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| x 9,10-Bisanthracene |
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c23c(C#Cc5ccccc5)c1ccccc1c(C#Cc4ccccc4)c2cccc3 |
9,10-Bis(phenylethynyl)anthracene (BPEA) is an aromatic hydrocarbon with the chemical formula is C30H18. It displays strong fluorescence and is used as a chemiluminescent fluorophore with high quantum efficiency.
It is used in lightsticks as a...
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