| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene glycol
Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water. | 2.69 | 3 | 0 | ethanediol;
glycol | metabolite;
mouse metabolite;
solvent;
toxin |
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 2.31 | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
malic acid
malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group. | 2.02 | 1 | 0 | 2-hydroxydicarboxylic acid;
C4-dicarboxylic acid | food acidity regulator;
fundamental metabolite |
dimethyl sulfoxide
Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. | 2.11 | 1 | 0 | sulfoxide;
volatile organic compound | alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger |
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.05 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
phenol
[no description available] | 2.31 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
sulfuric acid
sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. | 2.43 | 2 | 0 | sulfur oxoacid | catalyst |
dapi
DAPI: RN given refers to parent cpd. | 2.21 | 1 | 0 | indoles | fluorochrome |
dibutyl phthalate
Dibutyl Phthalate: A plasticizer used in most plastics and found in water, air, soil, plants and animals. It may have some adverse effects with long-term exposure.. dibutyl phthalate : A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. | 2.03 | 1 | 0 | diester;
phthalate ester | EC 3.2.1.20 (alpha-glucosidase) inhibitor;
environmental contaminant;
metabolite;
plasticiser;
teratogenic agent |
diethyl pyrocarbonate
Diethyl Pyrocarbonate: Preservative for wines, soft drinks, and fruit juices and a gentle esterifying agent.. diethyl pyrocarbonate : The diethyl ester of dicarbonic acid. | 2.48 | 2 | 0 | acyclic carboxylic anhydride | |
ether
Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 1.96 | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
ethylenediamine
ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane. | 2.25 | 1 | 0 | alkane-alpha,omega-diamine | GABA agonist |
urethane
[no description available] | 2.06 | 1 | 0 | carbamate ester | fungal metabolite;
mutagen |
2-acetylaminofluorene
2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines. | 1.96 | 1 | 0 | 2-acetamidofluorenes | antimitotic;
carcinogenic agent;
epitope;
mutagen |
aniline
[no description available] | 2.05 | 1 | 0 | anilines;
primary arylamine | |
dimethyl sulfone
[no description available] | 7.11 | 1 | 0 | sulfone | |
propane
Propane: A three carbon alkane with the formula H3CCH2CH3. | 3.8 | 3 | 0 | alkane;
gas molecular entity | food propellant |
propyleneimine
[no description available] | 1.96 | 1 | 0 | aziridines | |
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 2.31 | 1 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
alpha-chlorohydrin
alpha-Chlorohydrin: A chlorinated PROPANEDIOL with antifertility activity in males used as a chemosterilant in rodents.. 3-chloropropane-1,2-diol : A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3. | 1.96 | 1 | 0 | chloropropane-1,2-diol | |
ethyl carbonate
[no description available] | 2.48 | 2 | 0 | carbonate ester | |
allyl alcohol
allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. | 2.1 | 1 | 0 | primary allylic alcohol;
propenol | antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite |
propylene carbonate
4-methyl-1,3-dioxolan-2-one: structure in first source | 8.6 | 2 | 0 | | |
3-xylene
m-xylene : A xylene carrying methyl groups at positions 1 and 3. | 2.31 | 1 | 0 | xylene | |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 2.17 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 1.96 | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
bis(2-chloroethyl)ether
bis(2-chloroethyl)ether: structure | 1.96 | 1 | 0 | ether | |
n-hydroxyurethane
N-hydroxyurethane: structure | 2.06 | 1 | 0 | | |
methyl carbonate
methyl carbonate: RN given refers to unlabeled parent cpd; structure. dimethyl carbonate : A carbonate ester that is carbonic acid in which both hydrogens are replaced by methyl groups. A flammable, colourless liquid (m.p. 2-4degreeC, b.p. 90degreeC) with a characterstic ester-like odour, it is used as a 'green' methylating agent and as a solvent. | 8.17 | 5 | 0 | carbonate ester | reagent;
solvent |
vinylene carbonate
[no description available] | 2.4 | 2 | 0 | | |
n-methylpyrrolidone
1-methylpyrrolidin-2-one: structure in first source. N-methylpyrrolidin-2-one : A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group. | 2.17 | 1 | 0 | lactam;
N-alkylpyrrolidine;
pyrrolidin-2-ones | polar aprotic solvent |
1,3-propane sultone
1,3-propane sultone: sultone is usually defined as a derivative of 1,8-naphtholsulfonic acid; structure | 1.96 | 1 | 0 | sultone | |
carbonates
Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. | 2.42 | 2 | 0 | carbon oxoanion | |
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. | 2.1 | 1 | 0 | elemental manganese;
manganese group element atom | Escherichia coli metabolite;
micronutrient |
rhodium
Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45. | 2.1 | 1 | 0 | cobalt group element 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. | 2.06 | 1 | 0 | copper group element atom;
elemental silver | Escherichia coli metabolite |
sodium bisulfide
sodium bisulfide: RN given refers to sodium sulfide (Na(SH)); see also record for sodium sulfide (Na2S) | 1.96 | 1 | 0 | | |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.31 | 1 | 0 | benzenes;
phenyl acetates | |
alkenes
[no description available] | 2.1 | 1 | 0 | | |
sodium azide
Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid). | 1.96 | 1 | 0 | inorganic sodium salt | antibacterial agent;
explosive;
mitochondrial respiratory-chain inhibitor;
mutagen |
azides
Azides: Organic or inorganic compounds that contain the -N3 group.. azide : Any nitrogen molecular entity containing the group -N3. | 1.96 | 1 | 0 | pseudohalide anion | mitochondrial respiratory-chain inhibitor |
trithiocarbonic acid
trithiocarbonic acid: RN & Nl from 9th CI; cpd not in Chemline 8/83 | 2.01 | 1 | 0 | chalcocarbonic acid;
one-carbon compound;
thiocarbonyl compound | |
cobalt
Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27. | 2.02 | 1 | 0 | cobalt group element atom;
metal allergen | micronutrient |
1-methyl-3-ethylimidazolium
1-methyl-3-ethylimidazolium: structure given in first source. 1-ethyl-3-methylimidazolium : A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is ethyl. | 2.13 | 1 | 0 | 1-alkyl-3-methylimidazolium | |
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. | 2.03 | 1 | 0 | inorganic chloride;
lithium salt | antimanic drug;
geroprotector |
oleic acid
Oleic Acid: An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed). oleic acid : An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. | 2.08 | 1 | 0 | octadec-9-enoic acid | antioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent |
ethylenethiourea
Ethylenethiourea: A degradation product of ethylenebis(dithiocarbamate) fungicides. It has been found to be carcinogenic and to cause THYROID hyperplasia. | 1.96 | 1 | 0 | imidazolidines | |
thiosemicarbazide
thiosemicarbazide: glutamate decarboxylase antagonist; structure given in first source. hydrazinecarbothioamide : A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group. | 1.96 | 1 | 0 | hydrazines;
thiocarboxamide;
thioureas | |
rubeanic acid
rubeanic acid: indicator for copper, cobalt, & nickel; structure | 1.96 | 1 | 0 | | |
lithium
Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER. | 3.59 | 8 | 0 | alkali metal atom | |
di-allate
di-allate: RN given refers to cpd without isomeric designation; structure | 1.96 | 1 | 0 | tertiary amine | |
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]. | 2.45 | 2 | 0 | carbon group element atom;
metalloid atom;
nonmetal atom | |
zeolites
[no description available] | 2.05 | 1 | 0 | | |
chitosan
[no description available] | 2.03 | 1 | 0 | | |
dihydroxyaluminum sodium carbonate
dihydroxyaluminum sodium carbonate: RN given refers to Na salt | 2.05 | 1 | 0 | | |