| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
2,3-diphosphoglycerate
2,3-Diphosphoglycerate: A highly anionic organic phosphate which is present in human red blood cells at about the same molar ratio as hemoglobin. It binds to deoxyhemoglobin but not the oxygenated form, therefore diminishing the oxygen affinity of hemoglobin. This is essential in enabling hemoglobin to unload oxygen in tissue capillaries. It is also an intermediate in the conversion of 3-phosphoglycerate to 2-phosphoglycerate by phosphoglycerate mutase (EC 5.4.2.1). (From Stryer Biochemistry, 4th ed, p160; Enzyme Nomenclature, 1992, p508). 2,3-bisphosphoglyceric acid : A bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3. | 2.01 | 1 | 0 | bisphosphoglyceric acid;
tetronic acid derivative | human metabolite |
choline
[no description available] | 1.92 | 1 | 0 | cholines | allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite |
phosphoglycolate
phosphoglycolate: RN given refers to parent acid. 2-phosphoglycolic acid : The O-phospho derivative of glycolic acid. | 2.01 | 1 | 0 | carboxyalkyl phosphate | Escherichia coli metabolite;
mouse metabolite |
3,3-dimethylallyl pyrophosphate
3,3-dimethylallyl pyrophosphate: isomeric with isopentenyl pyrophosphate. prenyl diphosphate : A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. | 2.01 | 1 | 0 | prenol phosphate | epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen |
alpha-glycerophosphoric acid
[no description available] | 2.01 | 1 | 0 | glycerol monophosphate | algal metabolite;
human metabolite |
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. | 1.98 | 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 |
niacin
Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. | 1.93 | 1 | 0 | pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3 | antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent |
parathion
[no description available] | 3.63 | 10 | 0 | C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite |
diphosphoric acid
diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. | 1.93 | 1 | 0 | acyclic phosphorus acid anhydride;
phosphorus oxoacid | Escherichia coli metabolite |
isopentenyl pyrophosphate
isopentenyl pyrophosphate: substrate for isopentenyl pyrophosphate isomerase; RN given refers to unlabeled cpd; a nonpeptide mycobacterial antigen that stimulates gamma delta T cells. isopentenyl diphosphate : A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. | 2.01 | 1 | 0 | prenol phosphate | antigen;
antioxidant;
epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen |
alendronate
alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. | 2.01 | 1 | 0 | 1,1-bis(phosphonic acid);
primary amino compound | bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor |
ddt
1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source | 1.93 | 1 | 0 | benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide | bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant |
dimethoate
Dimethoate: An organothiophosphorus cholinesterase inhibitor that is used as a systemic and contact insecticide.. dimethoate : A monocarboxylic acid amide that is N-methylacetamide in which one of the hydrogens of the methyl group attached to the carbonyl moiety is replaced by a (dimethoxyphosphorothioyl)sulfanediyl group. | 2.17 | 1 | 0 | monocarboxylic acid amide;
organic thiophosphate | acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
insecticide;
xenobiotic |
edrophonium
Edrophonium: A rapid-onset, short-acting cholinesterase inhibitor used in cardiac arrhythmias and in the diagnosis of myasthenia gravis. It has also been used as an antidote to curare principles.. edrophonium : A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. | 1.93 | 1 | 0 | phenols;
quaternary ammonium ion | antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor |
fenthion
Fenthion: Potent cholinesterase inhibitor used as an insecticide and acaricide.. fenthion : An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities. | 2.17 | 1 | 0 | organic thiophosphate | acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide |
malathion
Malathion: A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes.. malathion : A racemate comprising equimolar amounts of (R) and (S)-malathion. It is a broad spectrum organophosphate proinsecticide used to control a wide range of pests including Coleoptera, Diptera, fruit flies, mosquitos and spider mites.. diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate : A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. | 2.41 | 2 | 0 | diester;
ethyl ester;
organic thiophosphate | |
neostigmine
Neostigmine: A cholinesterase inhibitor used in the treatment of myasthenia gravis and to reverse the effects of muscle relaxants such as gallamine and tubocurarine. Neostigmine, unlike PHYSOSTIGMINE, does not cross the blood-brain barrier.. neostigmine : A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor. | 8.18 | 6 | 0 | quaternary ammonium ion | antidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor |
pamidronate
[no description available] | 2.01 | 1 | 0 | phosphonoacetic acid | |
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. | 1.98 | 1 | 0 | 1,2-benzisothiazole;
N-sulfonylcarboxamide | environmental contaminant;
sweetening agent;
xenobiotic |
sodium fluoride
[no description available] | 2.37 | 2 | 0 | fluoride salt | mutagen |
succinylcholine
Succinylcholine: A quaternary skeletal muscle relaxant usually used in the form of its bromide, chloride, or iodide. It is a depolarizing relaxant, acting in about 30 seconds and with a duration of effect averaging three to five minutes. Succinylcholine is used in surgical, anesthetic, and other procedures in which a brief period of muscle relaxation is called for.. succinylcholine : A quaternary ammonium ion that is the bis-choline ester of succinic acid. | 1.92 | 1 | 0 | quaternary ammonium ion;
succinate ester | drug allergen;
muscle relaxant;
neuromuscular agent |
sulfanilamide
[no description available] | 1.92 | 1 | 0 | substituted aniline;
sulfonamide antibiotic;
sulfonamide | antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor |
urethane
[no description available] | 1.92 | 1 | 0 | carbamate ester | fungal metabolite;
mutagen |
piperonyl butoxide
[no description available] | 1.96 | 1 | 0 | benzodioxoles | pesticide synergist |
dibenzylchlorethamine
Dibenzylchlorethamine: An alpha adrenergic antagonist. | 1.92 | 1 | 0 | | |
isoflurophate
Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM. | 3.02 | 5 | 0 | dialkyl phosphate | |
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity. | 7.84 | 4 | 0 | carbamate ester;
indole alkaloid | antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic |
1,1,1-trichloroethane
Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1. | 1.93 | 1 | 0 | chloroethanes | polar solvent |
triethyl phosphate
triethyl phosphate: structure. triethyl phosphate : A trialkyl phosphate that is the triethy ester derivative of phosphoric acid. | 2.05 | 1 | 0 | trialkyl phosphate | |
pyridostigmine bromide
Pyridostigmine Bromide: A cholinesterase inhibitor with a slightly longer duration of action than NEOSTIGMINE. It is used in the treatment of myasthenia gravis and to reverse the actions of muscle relaxants. | 1.93 | 1 | 0 | pyridinium salt | |
paraoxon
[no description available] | 1.93 | 1 | 0 | aryl dialkyl phosphate;
organophosphate insecticide | EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite |
methylphosphate
methylphosphate: specifically and irreversibly inactivates inorganic pyrophosphatase; RN given refers to parent cpd. methyl dihydrogen phosphate : A monoalkyl phosphate having methyl as the alkyl group. | 2.01 | 1 | 0 | monoalkyl phosphate;
one-carbon compound | algal metabolite;
epitope;
phosphoantigen |
fluorides
[no description available] | 2.62 | 3 | 0 | halide anion;
monoatomic fluorine | |
ibandronic acid
Ibandronic Acid: Aminobisphosphonate that is a potent inhibitor of BONE RESORPTION. It is used in the treatment of HYPERCALCEMIA associated with malignancy, for the prevention of fracture and bone complications in patients with breast cancer and bone metastases, and for the treatment and prevention of POSTMENOPAUSAL OSTEOPOROSIS. | 2.01 | 1 | 0 | | |
fluorophosphate
fluorophosphate: inhibits Phosphorylas phosphatase irreversibly; RN given refers to parent cpd | 7.33 | 2 | 0 | fluorine molecular entity;
phosphoric acid derivative | |
2-imidazoline
2-imidazoline: RN given refers to parent cpd; structure. imidazoline : An imidazoline compound having the double bond at the 2-position. | 1.92 | 1 | 0 | imidazolines | |
nicotine
(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 1.93 | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
bioresmethrin
bioresmethrin: RN given refers to (1R-trans)-isomer; structure | 1.96 | 1 | 0 | furans;
resmethrin | pyrethroid ester insecticide |
atropine
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | 2.84 | 4 | 0 | | |
2-phospholactic acid
2-phospholactic acid: RN given refers to cpd without isomeric designation. 2-phospholactic acid : The phosphoric acid monoester resulting from formal condensation of the alcohol group of lactic acid with phosphoric acid. | 2.01 | 1 | 0 | carboxyalkyl phosphate | |
pyrophosphate
Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups. | 3.8 | 12 | 0 | diphosphate ion | |
nadp
[no description available] | 1.96 | 1 | 0 | | |
bromohydrin pyrophosphate
bromohydrin pyrophosphate: stimulates human gammadelta T cells; structure in first osurce. bromohydrin pyrophosphate : An alkyl diphosphate having bromohydrin as the alkyl group. | 2.01 | 1 | 0 | alkyl diphosphate;
organobromine compound | phosphoantigen |
morin
morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5. | 1.93 | 1 | 0 | 7-hydroxyflavonol;
pentahydroxyflavone | angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent |
(e)-4-hydroxy-3-methylbut-2-enyl diphosphate
(E)-4-hydroxy-3-methylbut-2-enyl diphosphate: structure in first source. (2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate : A prenol phosphate comprising (2E)-4-hydroxy-3-methylbut-2-en-1-ol having an O-diphosphate substituent. | 2.01 | 1 | 0 | prenol phosphate | epitope;
Escherichia coli metabolite;
phosphoantigen |
phosphorus
Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions. | 3.94 | 14 | 0 | monoatomic phosphorus;
nonmetal atom;
pnictogen | macronutrient |
scopolamine hydrobromide
[no description available] | 1.93 | 1 | 0 | | |
cismethrin
cismethrin: RN given refers to (1R-cis)-isomer | 1.96 | 1 | 0 | | |
heme
Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 2.41 | 1 | 0 | | |
pyrethrins
[no description available] | 1.96 | 1 | 0 | | |
pyridine-2-aldoxime
pyridine-2-aldoxime: RN given refers to parent cpd | 1.94 | 1 | 0 | | |