| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.03 | 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 |
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). | 3.75 | 2 | 1 | alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound | bacterial metabolite;
fossil fuel;
greenhouse gas |
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. | 5.36 | 7 | 2 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
phenol
[no description available] | 2.03 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
acetaminophen
Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. | 2.01 | 1 | 0 | acetamides;
phenols | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
theophylline
[no description available] | 2.05 | 1 | 0 | dimethylxanthine | adenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent |
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 2.03 | 1 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
diclofenac
Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. | 2.77 | 3 | 0 | amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
fenofibrate
Pharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINE | 2.11 | 1 | 0 | aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes | antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic |
hydrochlorothiazide
Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure. | 3.85 | 2 | 1 | benzothiadiazine;
organochlorine compound;
sulfonamide | antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic |
mesalamine
Mesalamine: An anti-inflammatory agent, structurally related to the SALICYLATES, which is active in INFLAMMATORY BOWEL DISEASE. It is considered to be the active moiety of SULPHASALAZINE. (From Martindale, The Extra Pharmacopoeia, 30th ed). mesalamine : A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. | 2.08 | 1 | 0 | amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols | non-steroidal anti-inflammatory drug |
saccharin
Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. | 3.47 | 2 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
sorbitol
D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol). | 6.89 | 12 | 2 | glucitol | cathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent |
sucrose
Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar. | 7.21 | 14 | 3 | glycosyl glycoside | algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent |
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. | 2.4 | 2 | 0 | lactose | |
mannitol
[no description available] | 6.28 | 11 | 1 | mannitol | allergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent |
xylitol
xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues. | 4.58 | 8 | 0 | | |
cyclamic acid
Cyclamates: Salts and esters of cyclamic acid.. cyclohexylsulfamic acid : A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent. | 3.08 | 1 | 0 | sulfamic acids | environmental contaminant;
human xenobiotic metabolite |
isomaltose
[no description available] | 2.9 | 4 | 0 | | |
calcium phosphate, dibasic, anhydrous
calcium phosphate, dibasic, anhydrous: molecular formula CaHPO(4), DCPA=dicalcium phosphate anhydrous; don't confuse with dichloropropionanilide which also is called DCPA; MW=136.06; has greater surface area and lower pH than DCPD (dicalcium phosphate dihydrate); occurs in nature as monetite; an intermediate in preparing hydroxyapatite | 2.08 | 1 | 0 | calcium phosphate | |
tricalcium phosphate
tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues. | 2.08 | 1 | 0 | calcium phosphate | |
galactose
aldohexose : A hexose with a (potential) aldehyde group at one end. | 4.37 | 1 | 1 | | |
fluorides
[no description available] | 3.43 | 1 | 1 | halide anion;
monoatomic fluorine | |
itraconazole
Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis. | 2.15 | 1 | 0 | aromatic ether;
conazole antifungal drug;
cyclic ketal;
dichlorobenzene;
dioxolane;
N-arylpiperazine;
triazole antifungal drug;
triazoles | EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
Hedgehog signaling pathway inhibitor;
P450 inhibitor |
trichlorosucrose
trichlorosucrose: sweetness intensity roughly 600 times that of sucrose and is nonnutritive and noncaloric; largely unabsorbed in the gastrointestinal tract. sucralose : A disaccharide derivative consisting of 4-chloro-4-deoxy-alpha-D-galactopyranose and 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose units linked by a glycosidic bond. | 4.7 | 2 | 1 | disaccharide derivative;
organochlorine compound | environmental contaminant;
sweetening agent;
xenobiotic |
isomaltitol
6-O-alpha-D-glucopyranosyl-D-glucitol : A glycosyl alditol consisting of alpha-D-glucopyranose and D-glucitol residues joined in sequence by a (1->6)-glycosidic bond. | 2.37 | 2 | 0 | glycosyl alditol;
O-acyl carbohydrate | |
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. | 2.17 | 1 | 0 | D-glucuronic acid | algal metabolite |
eudragit rs
Eudragit RS: copolymer of acrylic & methacrylic acid esters & quaternary ammonium groups; used for microcapsules | 2.05 | 1 | 0 | | |
aspartame
[no description available] | 3.47 | 2 | 0 | carboxylic acid;
dipeptide zwitterion;
dipeptide;
methyl ester | apoptosis inhibitor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
environmental contaminant;
micronutrient;
nutraceutical;
sweetening agent;
xenobiotic |
lactitol
lactitol : A glycosyl alditol consisting of beta-D-galactopyranose and D-glucitol joined by a 1->4 glycosidic bond. It is used as a laxative, as an excipient, and as replacement bulk sweetener in some low-calorie foods. | 5.38 | 4 | 1 | glycosyl alditol | cathartic;
excipient;
laxative |
erythritol
[no description available] | 2 | 1 | 0 | butane-1,2,3,4-tetrol | antioxidant;
human metabolite;
plant metabolite |
sorbose
sorbopyranose : The pyranose form of sorbose.. L-sorbopyranose : The L-stereoisomer of sorbopyranose. | 1.96 | 1 | 0 | L-sorbose;
sorbopyranose | |
d-tagatose
D-tagatopyranose : The pyranose form of D-tagatose. | 4.37 | 1 | 1 | D-tagatose | |
isomaltulose
6-O-alpha-D-glucopyranosyl-D-fructofuranose : A glycosylfructose that is D-fructofuranose attached to a alpha-D-glucopyranosyl unit at position 6 via a glycosidic linkage. It is found in honey and sugarcane. | 2.66 | 3 | 0 | glycosylfructose | animal metabolite;
plant metabolite;
sweetening agent |
isomaltotriose
isomaltotriose: RN given refers to all D-isomer. isomaltotriose : A glucotriose consisting of two alpha-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->6) glycosidic bonds. | 2.13 | 1 | 0 | glucotriose | |
maltitol
maltitol : An alpha-D-glucoside consisting of D-glucitol having an alpha-D-glucosyl residue attached at the 4-position. Used as a sugar substitute. | 6.53 | 8 | 2 | alpha-D-glucoside;
glycosyl alditol | laxative;
metabolite;
sweetening agent |
D-fructopyranose
[no description available] | 1.96 | 1 | 0 | cyclic hemiketal;
D-fructose;
fructopyranose | sweetening agent |
enalapril
Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.. enalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). | 2.21 | 1 | 0 | dicarboxylic acid monoester;
dipeptide | antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug |
melibiose
alpha-D-Galp-(1->6)-alpha-D-Glcp : A glycosylglucose consisting of alpha-D-galactopyranose and alpha-D-glucopyranose residues joined in sequence by a (1->6) glycosidic bond. | 2.13 | 1 | 0 | glycosylglucose | |
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. | 6.53 | 8 | 2 | alpha-D-glucosyl-(1->4)-D-mannopyranose | |
lactulose
Lactulose: A synthetic disaccharide used in the treatment of constipation and hepatic encephalopathy. It has also been used in the diagnosis of gastrointestinal disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p887). lactulose : A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy. | 3.79 | 2 | 1 | | |
glucagon-like peptide 1
Glucagon-Like Peptide 1: A peptide of 36 or 37 amino acids that is derived from PROGLUCAGON and mainly produced by the INTESTINAL L CELLS. GLP-1(1-37 or 1-36) is further N-terminally truncated resulting in GLP-1(7-37) or GLP-1-(7-36) which can be amidated. These GLP-1 peptides are known to enhance glucose-dependent INSULIN release, suppress GLUCAGON release and gastric emptying, lower BLOOD GLUCOSE, and reduce food intake. | 4.37 | 1 | 1 | | |
incretins
Incretins: Peptides which stimulate INSULIN release from the PANCREATIC BETA CELLS following oral nutrient ingestion, or postprandially. | 4.37 | 1 | 1 | | |
c-peptide
C-Peptide: The middle segment of proinsulin that is between the N-terminal B-chain and the C-terminal A-chain. It is a pancreatic peptide of about 31 residues, depending on the species. Upon proteolytic cleavage of proinsulin, equimolar INSULIN and C-peptide are released. C-peptide immunoassay has been used to assess pancreatic beta cell function in diabetic patients with circulating insulin antibodies or exogenous insulin. Half-life of C-peptide is 30 min, almost 8 times that of insulin. | 3.34 | 1 | 1 | | |
cellulose
DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications. | 3.18 | 5 | 0 | glycoside | |
phosphatidylcholines
Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 2.11 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
invert sugar
invert sugar: mixture of approx 50% dextrose & 50% levulose obtained by acid hydrolysis of cane sugar | 1.96 | 1 | 0 | | |
caseins
Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones. | 3.89 | 2 | 1 | | |
maltodextrin
maltodextrin : A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds. | 2.17 | 1 | 0 | | |