| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
adenine
[no description available] | 1.96 | 1 | 0 | 6-aminopurines;
purine nucleobase | Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
anthranilic acid
anthranilic acid: RN given refers to parent cpd; structure in Negwer, 5th ed, #565. anthranilic acid : An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. | 2.08 | 1 | 0 | aminobenzoic acid | human metabolite;
mouse metabolite |
benzoic acid
Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. | 2.25 | 1 | 0 | benzoic acids | algal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite |
catechol
[no description available] | 2.11 | 1 | 0 | catechols | allelochemical;
genotoxin;
plant metabolite |
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). | 3.23 | 5 | 0 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
lactic acid
Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. | 2.47 | 2 | 0 | 2-hydroxy monocarboxylic acid | algal metabolite;
Daphnia magna metabolite |
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. | 2.1 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
hydroquinone
[no description available] | 2.11 | 1 | 0 | benzenediol;
hydroquinones | antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent |
indoleacetic acid
indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. | 2.08 | 1 | 0 | indole-3-acetic acids;
monocarboxylic acid | auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite |
nitrites
Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed) | 2.21 | 1 | 0 | monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species | human metabolite |
1,2-dimethylhydrazine
1,2-Dimethylhydrazine: A DNA alkylating agent that has been shown to be a potent carcinogen and is widely used to induce colon tumors in experimental animals.. 1,2-dimethylhydrazine : A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice. | 2.02 | 1 | 0 | hydrazines | alkylating agent;
carcinogenic agent |
3-nitrobenzeneboronic acid
[no description available] | 3.28 | 6 | 0 | | |
amantadine
amant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first source | 2.07 | 1 | 0 | adamantanes;
primary aliphatic amine | analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic |
aztreonam
Aztreonam: A monocyclic beta-lactam antibiotic originally isolated from Chromobacterium violaceum. It is resistant to beta-lactamases and is used in gram-negative infections, especially of the meninges, bladder, and kidneys. It may cause a superinfection with gram-positive organisms.. aztreonam : A synthetic monocyclic beta-lactam antibiotic (monobactam), used primarily to treat infections caused by Gram-negative bacteria. It inhibits mucopeptide synthesis in the bacterial cell wall, thereby blocking peptidoglycan crosslinking. | 1.99 | 1 | 0 | | |
benzo(b)thiophene-2-boronic acid
benzo(b)thiophene-2-boronic acid: inhibits AmpC beta-lactamase; structure in first source | 2.42 | 2 | 0 | | |
cefuroxime
Cefuroxime: Broad-spectrum cephalosporin antibiotic resistant to beta-lactamase. It has been proposed for infections with gram-negative and gram-positive organisms, GONORRHEA, and HAEMOPHILUS.. cefuroxime : A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain. | 2.05 | 1 | 0 | carbamate ester;
cephalosporin | |
erythrosine
Fluoresceins: A family of spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one derivatives. These are used as dyes, as indicators for various metals, and as fluorescent labels in immunoassays. | 2.03 | 1 | 0 | | |
glutaral
Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5. | 2.31 | 1 | 0 | dialdehyde | cross-linking reagent;
disinfectant;
fixative |
iohexol
Iohexol: An effective non-ionic, water-soluble contrast agent which is used in myelography, arthrography, nephroangiography, arteriography, and other radiographic procedures. Its low systemic toxicity is the combined result of low chemotoxicity and low osmolality.. iohexol : A benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)acetamido group at the 5-position. | 2.31 | 1 | 0 | benzenedicarboxamide;
organoiodine compound | environmental contaminant;
radioopaque medium;
xenobiotic |
sorbitol
D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol). | 1.96 | 1 | 0 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
spironolactone
Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827). spironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. | 2.21 | 1 | 0 | 3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester | aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
penicillamine
Penicillamine: 3-Mercapto-D-valine. The most characteristic degradation product of the penicillin antibiotics. It is used as an antirheumatic and as a chelating agent in Wilson's disease.. penicillamine : An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group. | 2.31 | 1 | 0 | non-proteinogenic alpha-amino acid;
penicillamine | antirheumatic drug;
chelator;
copper chelator;
drug allergen |
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 2 | 1 | 0 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
galactose
galactopyranose : The pyranose form of galactose. | 2.31 | 1 | 0 | D-galactose;
galactopyranose | Escherichia coli metabolite;
mouse metabolite |
edetic acid
Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive. | 2.13 | 1 | 0 | ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid | anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector |
cloxacillin
Cloxacillin: A semi-synthetic antibiotic that is a chlorinated derivative of OXACILLIN.. cloxacillin : A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6. | 3 | 4 | 0 | penicillin allergen;
penicillin;
semisynthetic derivative | antibacterial agent;
antibacterial drug |
uridine triphosphate
Uridine Triphosphate: Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety. | 2.04 | 1 | 0 | pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate | Escherichia coli metabolite;
mouse metabolite |
lactose
Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose. | 2 | 1 | 0 | lactose | |
methionine
Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. | 2.39 | 2 | 0 | aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid | antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical |
cytidine triphosphate
Cytidine Triphosphate: Cytidine 5'-(tetrahydrogen triphosphate). A cytosine nucleotide containing three phosphate groups esterified to the sugar moiety. | 2.04 | 1 | 0 | cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate | Escherichia coli metabolite;
mouse metabolite |
ampicillin
Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. | 2.15 | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
valine
Valine: A branched-chain essential amino acid that has stimulant activity. It promotes muscle growth and tissue repair. It is a precursor in the penicillin biosynthetic pathway.. valine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.. L-valine : The L-enantiomer of valine. | 2.05 | 1 | 0 | L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine | algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite |
alizarin
[no description available] | 2.57 | 2 | 0 | dihydroxyanthraquinone | chromophore;
dye;
plant metabolite |
tryptophan
Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 7.17 | 1 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan | antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite |
acrylamide
[no description available] | 2.02 | 1 | 0 | acrylamides;
N-acylammonia;
primary carboxamide | alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin |
acrylic acid
acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. | 2.77 | 3 | 0 | alpha,beta-unsaturated monocarboxylic acid | metabolite |
rhodamine b
rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome. | 2.52 | 2 | 0 | organic chloride salt;
xanthene dye | fluorescent probe;
fluorochrome;
histological dye |
xanthenes
Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring. | 2.21 | 1 | 0 | xanthene | |
ethylene dimethacrylate
ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. | 2.13 | 1 | 0 | enoate ester | allergen;
cross-linking reagent;
polymerisation monomer |
triethanolamine
triethanolamine: RN given refers to parent cpd. triethanolamine : A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group. | 2.03 | 1 | 0 | amino alcohol;
tertiary amino compound;
triol | buffer;
surfactant |
glycidyl methacrylate
glycidyl methacrylate: RN given refers to monomer. glycidyl methacrylate : An enoate ester obtained by formal condensation of the carboxy group of methacrylic acid with the hydroxy group of glycidol. | 2.07 | 1 | 0 | enoate ester;
epoxide | |
cyanuric chloride
cyanuric chloride : A chloro-1,3,5-triazine in which the triazine ring is substituted on each carbon by chlorine. Its main use is in the preparation of the triazine-class pesticides. | 1.98 | 1 | 0 | chloro-1,3,5-triazine;
organochlorine compound | cross-linking reagent |
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. | 2.47 | 2 | 0 | pyrrole;
secondary amine | |
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 1.99 | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
n,n'-methylenebisacrylamide
[no description available] | 3.14 | 1 | 0 | | |
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. | 2.02 | 1 | 0 | 1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene | |
cyanamide
Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. | 2.17 | 1 | 0 | nitrile;
one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
cyanogen
cyanogen: structure. oxalonitrile : A dinitrile that is ethane substituted by two cyano groups. | 2.17 | 1 | 0 | dinitrile;
pseudohalogen | |
dicyandiamido
dicyandiamido: RN given refers to parent cpd; structure. cyanoguanidine : A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a cyano group. It is used in the manufacture of fertilizers, pharmaceuticals, explosives, oil well drilling muds, and dyestuffs. | 2.1 | 1 | 0 | guanidines;
nitrile | curing agent;
explosive;
fertilizer;
flame retardant;
nitrification inhibitor |
dipicolinic acid
dipicolinic acid : A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6. | 2.77 | 3 | 0 | pyridinedicarboxylic acid | bacterial metabolite |
luminol
Luminol: 5-Amino-2,3-dihydro-1,4-phthalazinedione. Substance that emits light on oxidation. It is used in chemical determinations. | 2.04 | 1 | 0 | | |
rhodamine 6g
rhodamine 6G: RN given refers to HCl | 2.13 | 1 | 0 | | |
molybdenum disulfide
[no description available] | 2.41 | 1 | 0 | sulfide salt | |
vancomycin
Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. | 2.15 | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
n-isopropylacrylamide
N-isopropylacrylamide: can polymerize with glycidyl acrylate to form reactive water-soluble polymer that can react with the amino groups of enzymes-proteins or other ligands | 2.25 | 1 | 0 | | |
diphenylborinic acid
diphenylborinic acid: structure given in first source | 1.99 | 1 | 0 | | |
n,n-dimethylacrylamide
[no description available] | 2.03 | 1 | 0 | | |
mannose
mannopyranose : The pyranose form of mannose. | 2.08 | 1 | 0 | D-aldohexose;
D-mannose;
mannopyranose | metabolite |
dithiothreitol
1,4-dimercaptobutane-2,3-diol : A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group.. 1,4-dithiothreitol : The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. | 2.1 | 1 | 0 | 1,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol | chelator;
human metabolite;
reducing agent |
n-butylboronic acid
[no description available] | 1.99 | 1 | 0 | | |
fructosamine
Fructosamine: An amino sugar formed when glucose non-enzymatically reacts with the N-terminal amino group of proteins. The fructose moiety is derived from glucose by the classical Amadori rearrangement. | 1.97 | 1 | 0 | | |
manganese
Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4. | 2.52 | 2 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
molybdenum
Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase. | 2.41 | 1 | 0 | chromium group element atom | micronutrient |
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. | 2.04 | 1 | 0 | metal allergen;
nickel group element atom;
platinum group metal atom | |
silver
Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA. | 2.84 | 3 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
titanium
Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures. | 2.07 | 1 | 0 | titanium group element atom | |
cadmium
Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common. | 2.17 | 1 | 0 | cadmium molecular entity;
zinc group element atom | |
gadolinium
Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors. | 2.02 | 1 | 0 | f-block element atom;
lanthanoid atom | |
gold
Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts. | 3.98 | 12 | 0 | copper group element atom;
elemental gold | |
hypochlorous acid
Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. | 2.41 | 1 | 0 | chlorine oxoacid;
reactive oxygen species | EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite |
silver nitrate
Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM. | 2.25 | 1 | 0 | inorganic nitrate salt;
silver salt | astringent |
ethionine
L-ethionine : An S-ethylhomocysteine that has S-configuration at the chiral centre. | 2.39 | 2 | 0 | S-ethylhomocysteine | antimetabolite;
carcinogenic agent |
titanium dioxide
titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. | 2.07 | 1 | 0 | titanium oxides | food colouring |
fluorides
[no description available] | 2.87 | 3 | 0 | halide anion;
monoatomic fluorine | |
iodine
[no description available] | 2.06 | 1 | 0 | halide anion;
monoatomic iodine | human metabolite |
paclitaxel
Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL). | 2.31 | 1 | 0 | taxane diterpenoid;
tetracyclic diterpenoid | antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent |
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 2.46 | 2 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
thionine
thionine: do not confuse with the thionins which is a class of polypeptides; RN above is for the chloride;. thionine : An organic chloride salt composed of 3,7-diaminophenothiazin-5-ium and chloride ions in a 1:1 ratio. A strongly metachromatic dye, useful for the staining of acid mucopolysaccharides. It is also a common nuclear stain and can be used for the demonstration of Nissl substance in nerve cells of the CNS. | 2.13 | 1 | 0 | | |
phenylethane boronic acid
[no description available] | 2.05 | 1 | 0 | | |
glyceryl methacrylate
glyceryl methacrylate: a dentin primer | 1.99 | 1 | 0 | | |
cephalosporin c
cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. | 2.05 | 1 | 0 | cephalosporin | fungal metabolite |
benzeneboronic acid
[no description available] | 3.46 | 7 | 0 | boronic acids | |
n,n-carbonyldiimidazole
[no description available] | 1.99 | 1 | 0 | | |
tosyllysine chloromethyl ketone
Tosyllysine Chloromethyl Ketone: An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process. | 1.98 | 1 | 0 | sulfonic acid derivative | |
6-carboxyfluorescein
6-carboxyfluorescein: originally sold as 6-carboxyfluorescein, but commercial product is a mixture of two isomers; correct name is 5(6)-carboxyfluorescein | 2.03 | 1 | 0 | monocarboxylic acid | |
4-bromophenylboric acid
[no description available] | 1.99 | 1 | 0 | | |
cadmium telluride
cadmium telluride: used in radiation monitoring device | 2.21 | 1 | 0 | | |
u 73122
1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione: structure given in first source. U-73122 : An aza-steroid that is 3-O-methyl-17beta-estradiol in which the 17beta-hydroxy group is replaced by a 6-(maleimid-1-yl)hexylamino group. An inibitor of phospholipase C. | 2.02 | 1 | 0 | aromatic ether;
aza-steroid;
maleimides | EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor |
imipenem, anhydrous
Imipenem: Semisynthetic thienamycin that has a wide spectrum of antibacterial activity against gram-negative and gram-positive aerobic and anaerobic bacteria, including many multiresistant strains. It is stable to beta-lactamases. Clinical studies have demonstrated high efficacy in the treatment of infections of various body systems. Its effectiveness is enhanced when it is administered in combination with CILASTATIN, a renal dipeptidase inhibitor.. imipenem : A broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup. | 2.13 | 1 | 0 | beta-lactam antibiotic allergen;
carbapenems;
zwitterion | antibacterial drug |
sulbactam
[no description available] | 1.99 | 1 | 0 | penicillanic acids | |
carbapenems
[no description available] | 2.13 | 1 | 0 | | |
xylose
xylopyranose: structure in first source | 2 | 1 | 0 | D-xylose | |
n-dansyl-3-aminobenzeneboronic acid
N-dansyl-3-aminobenzeneboronic acid: potent serine protease inhibitor; fluorescent boronic acid which reversibly binds to bacterial cell walls; structure given in first source | 2.42 | 2 | 0 | | |
1,1'-biphenyl-4-yl-boronic acid
[no description available] | 2.05 | 1 | 0 | | |
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. | 2.41 | 1 | 0 | carbodiimide | |
biotin
vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 2.49 | 2 | 0 | biotins;
vitamin B7 | coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite |
temocillin
temocillin: beta-lactam antibiotic with unusual spectrum of antibacterial activity & exceptional stability to bacterial beta-lactamases; RN given refers to di-Na salt (2S-(2alpha,5alpha,6alpha))-isomer; structure in first source. temocillin : A penicillin compound having a 6alpha-methoxy and 6beta-[2-carboxy(thiophen-3-yl)acetamido side-groups. | 2.13 | 1 | 0 | penicillin | |
4-methoxyphenylboronic acid
4-methoxyphenylboronic acid: structure in first source | 2.44 | 2 | 0 | | |
1,4-phenylenebis(boronic acid)
1,4-phenylenebis(boronic acid): structure in first source | 1.99 | 1 | 0 | | |
2-formylphenylboronic acid
2-formylphenylboronic acid: structure in first source | 1.99 | 1 | 0 | | |
1-hydroxy-2,1-benzoxaborole
1-hydroxy-2,1-benzoxaborole : A member of the class of benzoxaboroles that is 2,1-benzoxaborole in which the hydrogen attached to the boron atom is replaced by a hydroxy group. | 2.05 | 1 | 0 | benzoxaborole | |
lithium chloride
Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion. | 2.02 | 1 | 0 | inorganic chloride;
lithium salt | antimanic drug;
geroprotector |
n-acetylneuraminic acid
N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl. | 2.81 | 3 | 0 | N-acetylneuraminic acids | antioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite |
meropenem
Meropenem: A thienamycin derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of bacterial infections, including infections in immunocompromised patients.. meropenem : A carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamoyl)pyrrolidin-3-ylthio substituents respectively. | 3.01 | 4 | 0 | alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide | antibacterial agent;
antibacterial drug;
drug allergen |
betadex
beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds. | 2.07 | 1 | 0 | cyclodextrin | |
pectins
Pectins: High molecular weight polysaccharides present in the cell walls of all plants. Pectins cement cell walls together. They are used as emulsifiers and stabilizers in the food industry. They have been tried for a variety of therapeutic uses including as antidiarrheals, where they are now generally considered ineffective, and in the treatment of hypercholesterolemia.. alpha-D-galacturonic acid : The alpha-anomer of D-galacturonic acid. | 2.13 | 1 | 0 | D-galactopyranuronic acid | |
thiophene-3-boronic acid
thiophene-3-boronic acid: structure in first source | 1.99 | 1 | 0 | | |
thiobarbituric acid
thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. | 2.66 | 3 | 0 | barbiturates | allergen;
reagent |
D-fructopyranose
[no description available] | 2.44 | 2 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
4-aminophenylboronic acid
4-aminophenylboronic acid: used in sensors for detection of sialic acid residues; structure in first source | 2.08 | 1 | 0 | | |
1,1-diphenyl-2-picrylhydrazyl
1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974) | 2.07 | 1 | 0 | | |
alizarin red s
Alizarin Red S: RN given refers to parent cpd; structure. alizarin red S : An organic sodium salt having 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate as the counterion. It is commonly used to stain embryo skeletons in cleared whole mounts, usually of small mammals. | 2.1 | 1 | 0 | organic sodium salt;
organosulfonate salt | histological dye |
oleylamine
oleylamine: promotes fusion of mouse A(9) fibroblasts; RN given refers to parent cpd with unspecified isomeric designation; structure | 2.31 | 1 | 0 | | |
aluminum
Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. | 2.03 | 1 | 0 | boron group element atom;
elemental aluminium;
metal atom | |
indium
Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum. | 2.25 | 1 | 0 | boron group element atom | |
sulfur
Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine. | 2.25 | 1 | 0 | chalcogen;
nonmetal atom | macronutrient |
silicon
Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086]. | 2.11 | 1 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
boron
Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY. | 2.47 | 2 | 0 | boron group element atom;
metalloid atom;
nonmetal atom | micronutrient |
ceftazidime
[no description available] | 2.02 | 1 | 0 | cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor |
carbocyanines
Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials. | 2.21 | 1 | 0 | cyanine dye;
organic iodide salt | fluorochrome |
cefotaxime
Cefotaxime: Semisynthetic broad-spectrum cephalosporin.. cefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. | 2.02 | 1 | 0 | 1,3-thiazoles;
cephalosporin;
oxime O-ether | antibacterial drug;
drug allergen |
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. | 2.86 | 3 | 0 | chalcogen;
metalloid atom | |
xestospongin a
xestospongin A: blocks inositol 1,4,5-trisphosphate receptors; structure in first source; from Xestospongia sponge | 2.02 | 1 | 0 | | |
acebutolol
alpha-D-glucosyl-(1->4)-alpha-D-mannose : An alpha-D-glucosyl-(1->4)-D-mannopyranose in which the anomeric hydroxy group has alpha configuration. | 2.38 | 2 | 0 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
sepharose
agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages. | 3.5 | 8 | 0 | | |
rhodomyrtone
rhodomyrtone: antibacterial from Rhodomyrtus tomentosa; structure in first source | 2.15 | 1 | 0 | | |
cyanidin-3-o-beta-glucopyranoside
cyanidin-3-O-beta-glucopyranoside: a natural compound distributed in several fruits & vegetables, such as strawberry, rhubarb, cherry, red cabbage, red onion, cranberries, etc. | 2.41 | 1 | 0 | | |
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 2.74 | 3 | 0 | organophosphate oxoanion | cofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite |
cytochrome c-t
Cytochromes c: Cytochromes of the c type that are found in eukaryotic MITOCHONDRIA. They serve as redox intermediates that accept electrons from MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX III and transfer them to MITOCHONDRIAL ELECTRON TRANSPORT COMPLEX IV. | 2.05 | 1 | 0 | | |
oligonucleotides
[no description available] | 2.04 | 1 | 0 | | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 2.41 | 1 | 0 | glycoside | |
chitosan
[no description available] | 2.75 | 3 | 0 | | |
ro13-9904
Ceftriaxone: A broad-spectrum cephalosporin antibiotic and cefotaxime derivative with a very long half-life and high penetrability to meninges, eyes and inner ears.. ceftriaxone : A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. | 2.15 | 1 | 0 | | |
fructose-1,6-diphosphate
fructose-1,6-diphosphate: RN refers to (D)-isomer | 2.13 | 1 | 0 | | |
tetracycline
Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. | 2.63 | 2 | 0 | | |
laponite
laponite: a synthesized hectorite; chemical formula in first source | 2.21 | 1 | 0 | | |
fructosylvaline
fructosylvaline: RN given refers to (S)-isomer; structure given in first source | 2.05 | 1 | 0 | | |
muramidase
Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17. | 2.05 | 1 | 0 | | |
chondroitin sulfates
Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate. | 2.21 | 1 | 0 | | |
inosine
[no description available] | 1.96 | 1 | 0 | inosines;
purines D-ribonucleoside | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
nucleoside q
Nucleoside Q: A modified nucleoside which is present in the first position of the anticodon of tRNA-tyrosine, tRNA-histidine, tRNA-asparagine and tRNA-aspartic acid of many organisms. It is believed to play a role in the regulatory function of tRNA. Nucleoside Q can be further modified to nucleoside Q*, which has a mannose or galactose moiety linked to position 4 of its cyclopentenediol moiety.. queuosine : A nucleoside found in tRNA that has an additional cyclopentenyl ring added via an NH group to the methyl group of 7-methyl-7-deazaguanosine. The cyclopentenyl ring may carry other substituents. | 2.31 | 1 | 0 | 7-deazaguanine ribonucleoside | |
gambierone
gambierone: from the Dinoflagellate Gambierdiscus belizeanus; structure in first source | 2.41 | 1 | 0 | C-glycosyl compound | |