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 A molecular substance constiting of multiple atoms. The atom maybe be different elements or a small number of atoms of the same element.
 
 
x name x image x Formula x Structure (SMILES) x Structure (InChI) x article
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x Propyl alcohol Propan-1-ol-2D-skeletal C3H8O CCCO  
Description could not be displayed
x Benzilic acid BenzilicAcid   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...
x Dimethylbenzylamine Dimethylbenzylamine   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...
x N-Phenethyl-4-piperidinone Phenethylpiperidinone 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...
x 4-Piperidinone Piperidin-4-one-2D-skeletal C5H9NO    
4-Piperidinone 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). Piperidones are a class of chemical compounds sharing...
x Crown ether 18-crown-6 coordinating a potassium ion      
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...
x 8-Hydroxyquinoline 8-Hydroxyquinoline   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...
x 1,2-bis(dimethylarsino)benzene Diars      
1,2-Bis(dimethylarsino)benzene is the organoarsenic 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...
x Bipyridine ビピリジンの6種の異性体      
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...
x Gluconic acid D-Gluconic acid   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. It is one of the 16 stereoisomers of 2,3,4,5,6-pentahydroxyhexanoic acid. In aqueous solution at neutral pH, gluconic acid forms...
x Terpyridine terpyridine      
Terpyridine (2,2';6',2"-terpyridine) is a heterocyclic compound derived from pyridine. This colourless solid is used as a ligand in coordination chemistry. Terpyridine was first synthesized by G. Morgan and F. H. Burstall in 1932 by the oxidative...
x Dibenzofuran Chemical structure of dibenzofuran showing numbering of the atoms in the rings      
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...
x MCPA MCPA structure      
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...
x Methazole Methazole   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.
x Morpholine Морфолин      
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...
x Pyridine Pyridine      
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...
x Aziridine Aziridine parent compound      
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)...
x Water C00001.gif 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...
x Tetrahydrocannabinol THC-skeletal C21H30O2 C1=C(CC[C@@H]3[C@@H]1C2=C(C=C(C=C2OC3(C)C)CCCCC)O[H])C  
Tetrahydrocannabinol (pronounced /ˌtɛtrəˌhaɪdrɵkəˈnæbɨnɒl/ 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...
x Hydrogen sulfide Hydrogen-sulfide-3D-vdW      
Hydrogen sulfide (or hydrogen sulphide) is the chemical compound with the formula H2S. This colorless, flammable gas is partially responsible for the foul odor of rotten eggs and flatulence. It often results from the bacterial break down of sulfites...
x Cyanide Cyanide      
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. Inorganic cyanides are generally salts of the anion CN. Organic compounds that have a –C≡N functional group are...
x Hydrogen cyanide Chemical structure of hydrogen cyanide      
Hydrogen cyanide (with the historical common name of Prussic acid) is a chemical compound with chemical formula HCN. Hydrogen cyanide is a colorless, extremely poisonous liquid that boils slightly above room temperature at 26 °C (78.8 °F). Hydrogen...
x Butane 3D model of a butane molecule      
Butane is a hydrocarbon with formula C4H10, that is, an alkane with four carbon atoms. The term may refer to any of two structural isomers, or to a mixture of them: In the IUPAC nomenclature, however, butane refers only to the unbranched n-butane...
x Propane 3D model of a propane molecule      
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,...
x Bromobimane BrBM      
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.
x Xanthine The structure of xanthine   O=C1NC(=O)c2[nH]cnc2N1  
Xanthine (pronounced /ˈzænθiːn, ˈzænθaɪn]/), (3,7-dihydro-purine-2,6-dione), is a purine base found in most human body tissues and fluids and in other organisms. A number of mild stimulants are derived from xanthine, including caffeine and...
x Chlorodifluoromethane Chlorodifluoromethane   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...
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...
x Iodoform Iodoform   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...
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...
x Beta-carotene {{{Name}}}   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 and classified as a terpenoid. It is a strongly-coloured red-orange pigment abundant in plants and fruits. As a carotene with beta-rings at both ends, it is the most common form of carotene. It is a precursor ...
x Pepstatin Pepstatin   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...
x Psicose Psicose   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...
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...
x Succinyl-CoA Succinyl-CoA (coenzyme A is grey)      
Succinyl-Coenzyme A, 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 dehydrogenase...
x Nordihydrocapsaicin Nordihydrocapsaicin chemical structure   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...
x Phytanic acid Phytanic acid      
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...
x Ribulose Fischer projection of D-ribulose      
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)....
x CGS21680 CGS21680      
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...
x 3,3'-Diindolylmethane Chemical structure of 3,3'-diindolylmethane   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...
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 toxin and possible carcinogen present in most members of the fungal genus Gyromitra, most notably the false morel G. esculenta. Gyromitrin's toxicity is caused by its metabolic hydrolysis into monomethylhydrazine. The accumulation of...
x Thymidine monophosphate Thymidine monophosphate      
Deoxythymidine 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...
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...
x Aconitate Cis-Aconitate wpmp      
Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is...
x Phenylacetylcarbinol        
Phenylacetylcarbinol (PAC) is an organic compound that has two enantiomers, one with R- and one with S-configuration. (R)-PAC, which is commonly called L-PAC, is known as a precursor in the synthesis of pharmaceuticals such as ephedrine and...
x Neuromedin N        
Neuromedin N is a neuropeptide derived from the same precursor polypeptide as neurotensin, and with similar but subtly distinct expression and effects.
x 5,12-Bisnaphthacene 5,12-Bis(phenylethynyl)naphthacene   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.
x Cnicin Cnicin      
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...
x Fructose 2,6-bisphosphate        
Fructose 2,6-bisphosphate (or fructose 2,6-diphosphate), abbreviated Fru-2,6-P2, is a metabolite that allosterically affects the activity of the enzymes phosphofructokinase 1 (PFK-1) and fructose 1,6-bisphosphatase (FBPase-1) to regulate glycolysis...
x Scheele's Green Scheele's Green   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...
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...
x Adenylosuccinate        
Adenylosuccinate is an intermediate in purine metabolism. It is formed from inosine monophosphate by adenylosuccinate synthase.
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...
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...
x 3'-Phosphoadenosine-5'-phosphosulfate Chemical structure of 3'-phosphoadenosine-5'-phosphosulfate   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.
x Gentian violet Methyl Violet 10B      
Gentian violet (crystal violet, Methyl Violet 10B, hexamethyl pararosaniline chloride) is a bactericide and an antifungal agent, the primary agent used in the Gram stain test, perhaps the single most important bacterial identification test in use...
x Palmitoyl CoA        
Palmitoyl CoA is an acyl-CoA thioester used in the biosynthesis of sphingosine:
x Aniracetam Aniracetam chemical structure   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...
x Iditol Iditol      
Iditol is a sugar alcohol which accumulates in galactokinase deficiency.
x 9,10-Bisanthracene 9,10-Bis(phenylethynyl)anthracene   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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