Phorate (CED0008715)

Record Information
Version1.0
Creation Date2009-03-06 18:58:19 UTC
Update Date2026-08-23 22:56:37 UTC
SynCED IDCED0008715
Secondary Accession Numbers
  • CHEM000197
  • T3D0225
Identification
Common NamePhorate
ClassSmall Molecule
Description
Phorate is an exogenous liquid compound with the formula C7H17O2PS3 and an average molecular weight of 260.38 g/mol. Phorate belongs to the dithiophosphate o-esters, a subclass of organic dithiophosphoric acids and derivatives within the organic compounds. It functions as an agrochemical, biocide, acaricide, and biological insecticide (PMC4179059 ). Biologically and chemically, it acts as an inhibitor of acetylcholinesterase (EC 3.1.1.7) and cholinesterase (EC 3.1.1.8) (PMC4179059 ). Its recorded protein targets include acetylcholinesterase (ACHE), cholinesterase (BCHE), retinoic acid receptor alpha (RARA), cytochrome P450 1A1 (CYP1A1), and one other protein. The compound is found in or released from 40 recorded sources. These include electrical and electronic equipment such as antennas, amplifiers, colour television systems, auxiliary devices, adjustable resistors, and 22 others. In building and construction, it is associated with ceilings, floors, roofs, stairs and ramps, and sunshades awnings or outside screens, among others. Household cleaning and consumer product sources include soap detergents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Additionally, it is found in food, food processing and cookware sources, specifically fish processing, food preservation, and molasses and the treatment of molasses.
Contaminant Type
  • Ester
  • Ether
  • Human Neurotoxin
  • Organic Compound
  • Organophosphate
  • Pesticide
  • Synthetic Compound
Chemical Structure
Synonyms
ValueSource
O,O-Diethyl S-(ethylthio)methyl phosphorodithioateChEBI
O,O-Diethyl S-[(ethylsulfanyl)methyl] dithiophosphateChEBI
O,O-Diethyl S-ethylmercaptomethyl dithiophosphateChEBI
Phosphorodithioic acid, O,O-diethyl S-((ethylthio)methyl) esterChEBI
ThimetChEBI
O,O-Diethyl S-(ethylthio)methyl phosphorodithioic acidGenerator
O,O-Diethyl S-[(ethylsulfanyl)methyl] dithiophosphoric acidGenerator
O,O-Diethyl S-[(ethylsulphanyl)methyl] dithiophosphateGenerator
O,O-Diethyl S-[(ethylsulphanyl)methyl] dithiophosphoric acidGenerator
O,O-Diethyl S-ethylmercaptomethyl dithiophosphoric acidGenerator
Phosphorodithioate, O,O-diethyl S-((ethylthio)methyl) esterGenerator
PHoric acidHMDB
PHateHMDB
PHic acidHMDB
Thimet 10gHMDB
Thimet 10-gHMDB
Thimet 10 gHMDB
Chemical FormulaC7H17O2PS3
Average Molecular Mass260.377 g/mol
Monoisotopic Mass260.013 g/mol
CAS Registry Number298-02-2
IUPAC NameO,O-diethyl {[(ethylsulfanyl)methyl]sulfanyl}phosphonothioate
Traditional Namerampart
SMILESCCOP(=S)(OCC)SCSCC
InChI IdentifierInChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
InChI KeyBULVZWIRKLYCBC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dithiophosphate o-esters. These are o-ester derivatives of dithiophosphates, with the general structure RSP(O)(O)=S (R = organyl group).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic dithiophosphoric acids and derivatives
Sub ClassDithiophosphate O-esters
Direct ParentDithiophosphate O-esters
Alternative Parents
Substituents
  • Dithiophosphate o-ester
  • Dithiophosphate s-ester
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Organothiophosphorus compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organosulfur compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Applications
Biological Roles
Chemical Roles
Organoleptic Effects
  • acidic taste ?
Physical Properties
StateLiquid
AppearancePhorate is a clear pale-yellow liquid with a skunk-like odor. (1)
Experimental Properties
PropertyValue
Melting Point-43.7°C
Boiling Point188 °C at 2 torr 118-120 °C at 0.8 torr
Solubility0.05 mg/mL at 25 °C [MARTIN,H & WORTHING,CR (1977)]
Predicted Properties
PropertyValueSource
Water Solubility0.037 g/LALOGPS
logP3.71ALOGPS
logP3.16ChemAxon
logS-3.8ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area18.46 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity68.95 m³·mol⁻¹ChemAxon
Polarizability27.46 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-004i-8690000000-389dad16a59caffc79a8Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bt9-4930000000-536940f69767dcfa3259Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-9410000000-edd61bd6bf01829ee071Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03fr-9100000000-9231513319c344a8e4a0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-1890000000-2773b2f8dd4dd604b399Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06si-7950000000-9aac6c50700b539fd079Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00m0-2910000000-996ded89e76694fe1689Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-9560000000-e1ae6dcd5627a1573a5dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-5900000000-a2feb285263c94a0fdd5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-9000000000-39d4ad61034257710be6Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0590000000-176c82bfdacfb604a119Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-0910000000-53991a594f0917a1db89Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-2910000000-8f1600d8f0b4bb436a5fNot AvailableView Spectrum
MSMS Spectrumsplash10-004i-9200000000-982f1838d1ab58fda966Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1.0 mg/kg RatLD50OralexperimentalNot Available1
3.5 mg/kg [3.5:6.59]MouseLD50OralexperimentalNot Available1
20.0 mg/kg Guinea pigLD50OralexperimentalNot Available1
5.7 mg/kg RatLD50DermalexperimentalNot Available1
5.2 mg/kg RabbitLD50DermalexperimentalNot Available1
20.0 mg/kg [20:30]Guinea pigLD50DermalexperimentalNot Available1
11.0 mg/m3 RatLC50InhalationexperimentalNot Available1
0.046 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
0.092 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
0.046 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
0.05 mg/kg-day MouseNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.1 mg/kg-day MouseLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.11 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
0.11 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.011 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
0.15 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.075 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.75 mg/kg-day RatLOELoralexperimentalNot AvailableECOTOX - EPA ORD
0.011 mg/kg-day RatLOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.11 mg/kg-day RatNOELinjectionexperimentalNot AvailableECOTOX - EPA ORD
0.75 mg/kg-day RatNOELoralexperimentalNot AvailableECOTOX - EPA ORD
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityPhorate is a cholinesterase or acetylcholinesterase (AChE) inhibitor. A cholinesterase inhibitor (or 'anticholinesterase') suppresses the action of acetylcholinesterase. Because of its essential function, chemicals that interfere with the action of acetylcholinesterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses, followed by muscle spasms and ultimately death. Nerve gases and many substances used in insecticides have been shown to act by binding a serine in the active site of acetylcholine esterase, inhibiting the enzyme completely. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. Among the most common acetylcholinesterase inhibitors are phosphorus-based compounds, which are designed to bind to the active site of the enzyme. The structural requirements are a phosphorus atom bearing two lipophilic groups, a leaving group (such as a halide or thiocyanate), and a terminal oxygen.
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsSymptoms of acute oral exposure may include blurred vision, headache, inability to concentrate, fatigue, nausea, diarrhea, irregular heart and respiration rates, tremors, excessive sweating, confusion and convulsions. Death can occur at high doses due to respiratory arrest or lung constriction. Symptoms resulting from phorate inhalation or skin contact may occur from a few minutes up to 12 hours after exposure. Workers chronically exposed to organophosphates have shown slow thinking, memory defects, irritability, delayed reaction time, and anxiety. Symptoms included a lowering of the heart rate. (1)
TreatmentIf the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationDecreased in Blood InNot AvailableNot AvailablePMC8706738
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC8162809
gestational diabetesAssociated With?increaseA disorder, occurring in pregnant women, characterized by hyperglycemia.PMC4127367 , PMC5518693
gestational diabetesAssociated With?Not AvailableA disorder, occurring in pregnant women, characterized by hyperglycemia.PMC4127367
asthmaDecreased in Blood InNot AvailableA bronchial disease that is characterized by chronic inflammation and narrowing of the airways, which is caused by a combination of environmental and genetic factors. The disease has symptom recurring periods of wheezing (a whistling sound while breathing), has symptom chest tightness, has symptom shortness of breath, has symptom mucus production and has symptom coughing. The symptoms appear due to a variety of triggers such as allergens, irritants, respiratory infections, weather changes, exercise, stress, reflux disease, medications, foods and emotional anxiety. (DO)PMC5453620
diabetes mellitusAssociated With?increaseA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC5787249 , PMC13119611
diabetes mellitusAssociated With?positiveA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC4127367
diabetes mellitusAssociated With?Not AvailableA glucose metabolism disease characterized by chronic hyperglycaemia with disturbances of carbohydrate, fat and protein metabolism resulting from defects in insulin secretion, insulin action, or both. (DO)PMC4127367 , PMC4127367
painAssociated With?decreaseA disorder characterized by the sensation of marked discomfort, distress or agony. (NCI CTCAE)PMC4632140
gastroesophageal reflux diseaseDecreased in Blood InNot AvailableNot AvailablePMC5453620
meningitisAssociated With?Not AvailableA disorder characterized by acute inflammation of the meninges of the brain and/or spinal cord. (NCI CTCAE)PMC9769055
MortalityAssociated With?Not AvailableNot AvailablePMC13182035
MortalityAssociated With?increaseNot AvailablePMC5417430 , PMC8134805
infectious diseaseElevated in Blood InincreaseNot AvailablePMC5293368
infectious diseaseAssociated With?decreaseNot AvailablePMC10459820
infectious diseaseIs Biomarker OfNot AvailableNot AvailablePMC13423484
gastrointestinal system diseaseAssociated With?Not AvailableNot AvailablePMC5963105
OsteopeniaAssociated With?increaseNot AvailablePMC4632140
acidosis disorderAssociated With?increaseNot AvailablePMC11511177
neonatal sepsisAssociated With?Not AvailableNot AvailablePMC9769055
Protein DenaturationAssociated With?decreaseNot AvailablePMC7538118
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC11462967 , PMC3527423
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC8307319 , PMC13211266
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC4243242 , PMC9770375
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructurePubChem
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC11247066 , PMC13177267
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC4179059 , PMC12180763
CEDs000181Ballast water?Ballast water, taken on by ships to maintain stability and balance, often contains a diverse array of microorganisms, including bacteria, viruses, and plankton.Marine, shipping & aquaculturePubChem
CEDs000182Bilge water?Bilge water is a byproduct generated from the accumulation of water in the lowest part of a ship's hull, which may include a mixture of seawater, oil, fuel residues, and various contaminants.Marine, shipping & aquaculturePubChem
CEDs000233Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.Personal care & cosmeticsPubChem
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC12444535 , PMC12444535
CEDs000468Industrial wastewater?Industrial wastewater is a byproduct generated during various manufacturing and processing activities, which often contains a complex mixture of organic and inorganic synthetic chemicals.Wastewater, sanitation & biosolidsPMC5086774
CEDs000484Activated sludge?Activated sludge refers to a mixture of microorganisms and organic matter used in the biological treatment of wastewater.Wastewater, sanitation & biosolidsPMC13211346
CEDs000495Ceilings?Ceilings in built environments can be a source of synthetic chemical contamination due to the materials used in their construction and finishes.Building & ConstructionPubChem
CEDs000497Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.Building & ConstructionPubChem
CEDs000499Roofs?Roofs can be a significant source of synthetic chemical contamination due to the materials used in their construction and maintenance.Building & ConstructionPubChem
CEDs000500Stairs And Ramps?Stairs and ramps in construction are often treated with various synthetic chemicals to enhance durability, slip resistance, and weather resistance.Building & ConstructionPubChem
CEDs000501Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are often constructed using synthetic materials such as polyvinyl chloride (PVC), polyester, or acrylic fabrics.Building & ConstructionPubChem
CEDs000502Sunshades Awnings Or Outside Screens?Sunshades, awnings, and outside screens are commonly used in construction to enhance energy efficiency and provide shade.Building & ConstructionPubChem
CEDs000504Adjustable Resistors?Adjustable resistors, commonly used in various electronic devices, can contribute to synthetic chemical contamination through the materials and substances used in their manufacturing and disposal.Electrical & Electronic EquipmentPubChem
CEDs000505Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.Electrical & Electronic EquipmentPubChem
CEDs000506Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000507Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.Electrical & Electronic EquipmentPubChem
CEDs000509Colour Television Systems?Colour television systems contain various synthetic chemicals that can lead to environmental contamination.Electrical & Electronic EquipmentPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.Electrical & Electronic EquipmentPubChem
CEDs000514Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.Electrical & Electronic EquipmentPubChem
CEDs000516Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.Electrical & Electronic EquipmentPubChem
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000518Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.Electrical & Electronic EquipmentPubChem
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000520Emergency Protective Devices?Emergency protective devices, such as circuit breakers and surge protectors, are essential components in electrical systems designed to prevent damage from overcurrent and surges.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000523Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.Electrical & Electronic EquipmentPubChem
CEDs000524Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.Electrical & Electronic EquipmentPubChem
CEDs000525Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.Electrical & Electronic EquipmentPubChem
CEDs000526Loudspeakers?Loudspeakers, as components in audio systems, can be sources of synthetic chemical contamination primarily due to the materials used in their construction.Electrical & Electronic EquipmentPubChem
CEDs000527Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.Electrical & Electronic EquipmentPubChem
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
CEDs000531Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.Electrical & Electronic EquipmentPubChem
CEDs000532Selectors?Selectors are components used in various electronic devices to control the flow of electrical signals.Electrical & Electronic EquipmentPubChem
CEDs000533Sparking Plugs?Spark plugs are critical components in internal combustion engines, facilitating the ignition of fuel-air mixtures by generating a spark.Electrical & Electronic EquipmentPubChem
CEDs000535Superconducting Magnets And Superconducting Coils?Superconducting magnets and coils are utilized in various applications that require strong magnetic fields, such as magnetic resonance imaging (MRI) and particle accelerators.Electrical & Electronic EquipmentPubChem
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
CEDs000539Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000546Molasses And Treatment Of Molasses?Molasses is a thick, viscous byproduct of sugar production, derived from the extraction of sugar cane or sugar beet juice.Food, food processing & cookwarePubChem
CEDs000551Processing Fish?Processing fish can lead to synthetic chemical contamination through various stages of production and preservation.Food, food processing & cookwarePubChem
CEDs000556Cigar Cigarettes?Cigar cigarettes are a source of synthetic chemical contamination due to the combustion of various tobacco blends and additives.Household cleaning & consumer productsPubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000569Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.Household cleaning & consumer productsPubChem
CEDs000578Making Cigars?The process of making cigars involves several steps, including the cultivation of tobacco, fermentation, and the application of various additives to enhance flavor and preservation.Industrial manufacturing & chemical processingPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000581Paper Making Machines?Paper making machines utilize various synthetic chemicals throughout the production process, including additives, coatings, and bleaching agents.Industrial manufacturing & chemical processingPubChem
CEDs000583Anchoring Equipment?Anchoring equipment, commonly used in marine applications, can be a source of synthetic chemical contamination due to the materials and coatings utilized in their manufacturing.Marine, shipping & aquaculturePubChem
CEDs000592Marine Propulsion Or Steering?Marine propulsion and steering systems often rely on various synthetic chemicals, including lubricants, fuels, and hydraulic fluids.Marine, shipping & aquaculturePubChem
CEDs000595Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.Marine, shipping & aquaculturePubChem
CEDs000596Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.Agriculture & land managementPubChem
CEDs000597Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.Agriculture & land managementPubChem
CEDs000598Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.Agriculture & land managementPubChem
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.Agriculture & land managementPubChem
CEDs000601Lawn Mowers?Lawn mowers, particularly those powered by gasoline, can be a source of synthetic chemical contamination due to the combustion of fossil fuels and the use of engine oils.Agriculture & land managementPubChem
CEDs000602Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.Agriculture & land managementPubChem
CEDs000603Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.Agriculture & land managementPubChem
CEDs000604Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.Agriculture & land managementPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000606Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.Agriculture & land managementPubChem
CEDs000607Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.Agriculture & land managementPubChem
CEDs000608Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.Agriculture & land managementPubChem
CEDs000609Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.Personal care & cosmeticsPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000613Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000615Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000620Card Games?Card games often utilize synthetic materials for playing cards and associated gaming equipment, which may contain various chemicals such as polyvinyl chloride (PVC), plastics, and dyes.Recreation & sports surfacesPubChem
CEDs000622Game Accessories?Game accessories, such as synthetic turf, athletic shoes, and other sports-related equipment, often incorporate various synthetic chemicals in their production.Recreation & sports surfacesPubChem
CEDs000630Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.Recreation & sports surfacesPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
CEDs000643Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.Textiles, leather & furnishingsPubChem
CEDs000649Pins Clothes?Pins Clothes can serve as a potential source of synthetic chemical contamination due to the use of various synthetic fibers and finishes in textile production.Textiles, leather & furnishingsPubChem
CEDs000650Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.Textiles, leather & furnishingsPubChem
CEDs000652Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000656Snap Fasteners?Snap fasteners, commonly used in clothing and upholstery, can be made from various synthetic materials, including plastics and metal alloys.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000671Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.Aviation & AerospacePubChem
CEDs000673Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.Aviation & AerospacePubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000682Traction Harness?Traction harnesses, commonly used in agricultural practices for animals and machinery, can be a source of synthetic chemical contamination through the materials used in their production.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000693Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.Building & ConstructionPubChem
CEDs000695Treatment Of Milk Or Cream?The treatment of milk or cream involves various processes such as pasteurization, homogenization, and the addition of preservatives to enhance shelf life and safety.Food, food processing & cookwarePubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000697Submarines?Submarines, while essential for military and research purposes, can be a source of synthetic chemical contamination due to their use of various industrial chemicals.Marine, shipping & aquaculturePubChem
CEDs000698Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.Mining & metal processingPubChem
CEDs000699Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.Mining & metal processingPubChem
CEDs000701Ventilation Of Mines Or Tunnels?Ventilation in mines or tunnels is essential for maintaining air quality and ensuring the safety of workers.Mining & metal processingPubChem
CEDs000705Bookbinding?Bookbinding involves the use of various synthetic chemicals, including adhesives, inks, and coatings, which can contribute to environmental contamination.Paper, pulp & fiber productsPubChem
CEDs000707Books?Books can be a source of synthetic chemical contamination due to the use of various chemicals in their production and preservation processes.Paper, pulp & fiber productsPubChem
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.Paper, pulp & fiber productsPubChem
CEDs000729Stamps?Stamps, particularly those produced using synthetic inks and adhesives, can contribute to chemical contamination when disposed of improperly.Paper, pulp & fiber productsPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00749CornAgriculture & land managementPMC5373581
CEDs00753Agricultural SoilAgriculture & land managementPMC9367859
CEDs00777Feed SolutionAgriculture & land managementPMC11943549
CEDs00782RhizosphereAgriculture & land managementPMC5000603 , PMC11174575
CEDs00809Soil SolutionAgriculture & land managementPMC13026715
CEDs00837Rhizosphere SoilAgriculture & land managementPMC11214425 , PMC9780673
CEDs00885Corn SilageAgriculture & land managementPMC10048192
CEDs00898Forest SoilAgriculture & land managementPMC5797561
CEDs00996Bulk SoilAgriculture & land managementPMC6776359
CEDs01144FoodFood, food processing & cookwarePMC8838834
CEDs01148MilkFood, food processing & cookwarePMC11326520 , PMC12346065
CEDs01151FruitsFood, food processing & cookwarePMC5620628
CEDs01157FoodsFood, food processing & cookwarePMC6628611
CEDs01168Food ProductsFood, food processing & cookwarePMC10286258
CEDs01171MeatFood, food processing & cookwarePMC11408635 , PMC13057719
CEDs01185Apple JuiceFood, food processing & cookwarePMC11462967 , PMC9569944
CEDs01200VegetablesFood, food processing & cookwarePMC4892912 , PMC5620628
CEDs01244BeefFood, food processing & cookwarePMC13057719
CEDs01298Food MatricesFood, food processing & cookwarePMC13257145
CEDs01302WineFood, food processing & cookwarePMC8705515 , PMC12113238
CEDs01313JuiceFood, food processing & cookwarePMC10343538
CEDs01362Ground BeefFood, food processing & cookwarePMC7037662
CEDs01451Cooked MeatFood, food processing & cookwarePMC13057719
CEDs01553Fermented Dairy ProductsFood, food processing & cookwarePMC6090892
CEDs01585Bread SamplesFood, food processing & cookwarePMC10399781
CEDs01644Honeydew HoneyFood, food processing & cookwarePMC11767281
CEDs02126Waste MaterialWaste management, landfill & incinerationPMC9581851
CEDs02246Tubewell WaterDrinking water & water supplyPMC12277229
CEDs02255WaterAquatic systems & sedimentsPMC3835519 , PMC4492940
CEDs02257WatersAquatic systems & sedimentsPMC12783265 , PMC8751164
CEDs02261Sea WaterAquatic systems & sedimentsPMC6897940 , PMC6897940
CEDs02262Freshwater EcosystemAquatic systems & sedimentsPMC12383231
CEDs02264SedimentAquatic systems & sedimentsPMC6061116 , PMC9971090
CEDs02265River WaterAquatic systems & sedimentsPMC4492940 , PMC8318859
CEDs02268Water SamplesAquatic systems & sedimentsPMC11685771 , PMC5468778
CEDs02269Natural WatersAquatic systems & sedimentsPMC4179059
CEDs02270RiverAquatic systems & sedimentsPMC4179059 , PMC12614586
CEDs02272Open OceanAquatic systems & sedimentsPMC6820531
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC11821768 , PMC11821768
CEDs02278Sediment SurfaceAquatic systems & sedimentsPMC5067478
CEDs02280OceanAquatic systems & sedimentsPMC6897940 , PMC6897940
CEDs02281Water SampleAquatic systems & sedimentsPMC4492940 , PMC13347071
CEDs02285AquiferAquatic systems & sedimentsPMC2898849
CEDs02286LakeAquatic systems & sedimentsPMC3325421
CEDs02289StreamAquatic systems & sedimentsPMC8406625 , PMC4219493
CEDs02291Sediment SamplesAquatic systems & sedimentsPMC6061116
CEDs02293Fresh WaterAquatic systems & sedimentsPMC10446038 , PMC13194907
CEDs02294Pore WaterAquatic systems & sedimentsPMC4894142 , PMC12045819
CEDs02295Ocean SurfaceAquatic systems & sedimentsPMC6897940 , PMC6897940
CEDs02307Stream WaterAquatic systems & sedimentsPMC4219493 , PMC4219493
CEDs02309Wetland EcosystemAquatic systems & sedimentsPMC3923058 , PMC3923058
CEDs02314Pacific OceanAquatic systems & sedimentsPMC6026204 , PMC6026204
CEDs02316Surface SeawaterAquatic systems & sedimentsPMC4726000
CEDs02319Lake WaterAquatic systems & sedimentsPMC4236137
CEDs02336Surface OceanAquatic systems & sedimentsPMC4324998 , PMC4324998
CEDs02340Water BodyAquatic systems & sedimentsPMC8695248 , PMC11085632
CEDs02341LagoonAquatic systems & sedimentsPMC5830159 , PMC9757654
CEDs02354WatershedAquatic systems & sedimentsPMC4219493 , PMC12575859
CEDs02362Coastal WatersAquatic systems & sedimentsPMC8834802
CEDs02376PondsAquatic systems & sedimentsPMC5830159 , PMC3325421
CEDs02379Spring WaterAquatic systems & sedimentsPMC8744857
CEDs02401Groundwater SystemsAquatic systems & sedimentsPMC13177267
CEDs02408Sea SurfaceAquatic systems & sedimentsPMC6897940 , PMC6897940
CEDs02409Coastal WaterAquatic systems & sedimentsPMC12856841
CEDs02410Arctic OceanAquatic systems & sedimentsPMC6897940
CEDs02416Coastal ZoneAquatic systems & sedimentsPMC10779287
CEDs02419Karst GroundwaterAquatic systems & sedimentsPMC8391300
CEDs02448Coastal EnvironmentsAquatic systems & sedimentsPMC4324998
CEDs02463Sediment PhaseAquatic systems & sedimentsPMC12614586 , PMC12614586
CEDs02474SeasAquatic systems & sedimentsPMC9690351
CEDs02523Southern OceanAquatic systems & sedimentsPMC2596239
CEDs02543Freshwater HabitatsAquatic systems & sedimentsPMC12677974
CEDs02553Estuarine WaterAquatic systems & sedimentsPMC9355362
CEDs02571Yellow SeaAquatic systems & sedimentsPMC6897940
CEDs02582Halda River waterAquatic systems & sedimentsPMC8695248
CEDs02599AerosolAir, dust & atmospheric transportPMC12089609
CEDs02610PrecipitationAir, dust & atmospheric transportPMC12045819 , PMC12045819
CEDs02611RainwaterAir, dust & atmospheric transportPMC7089915 , PMC9329433
CEDs02709Open AirAir, dust & atmospheric transportPMC9995034
CEDs02994Petroleum ProductsEnergy, oil & gasPMC9690351 , PMC9690351
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC10789670 , PMC6479549
CEDs03013EffluentsWastewater, sanitation & biosolidsPMC10163653
CEDs03020Domestic WastewaterWastewater, sanitation & biosolidsPMC8853296
CEDs03048Industrial SewageWastewater, sanitation & biosolidsPMC5086774
CEDs03084Waste Activated SludgeWastewater, sanitation & biosolidsPMC11016704
CEDs03120Coking WastewaterWastewater, sanitation & biosolidsPMC7013769
CEDs03130FaecalWastewater, sanitation & biosolidsPMC11955018
CEDs03282RunoffAutomotive & urban infrastructurePMC7122873
CEDs03289StormwaterAutomotive & urban infrastructurePMC13270530 , PMC11325539
CEDs03425Aquaculture SystemsMarine, shipping & aquaculturePMC12520881
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.258
Applicability Domain
0.313
Statistical Significance
9.00e-05
Supporting Reference Compounds
2
E-value
0.700643
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.25 Low confidence
Statistical Significance
1.00e-03
Supporting Reference Compounds
2
E-value
7.78492
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.235 Low confidence
Statistical Significance
0.182
Supporting Reference Compounds
30
E-value
1417.25
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.235 Low confidence
Statistical Significance
0.0947
Supporting Reference Compounds
21
E-value
737.544
Diacylglycerol acyltransferase/mycolyltransferase Ag85C structureClick to view 3D structureDiacylglycerol acyltransferase/mycolyltransferase Ag85CP9WQN9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.157 Low confidence
Statistical Significance
0.0397
Supporting Reference Compounds
1
E-value
309.061
Click to view 3D structureCarbamate kinaseO97438Giardia intestinalisPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.156 Low confidence
Statistical Significance
5.30e-04
Supporting Reference Compounds
1
E-value
4.12601
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.186 Low confidence
Statistical Significance
0.5391
Supporting Reference Compounds
34
E-value
4196.54
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.154
Applicability Domain
0.186 Low confidence
Statistical Significance
0.6514
Supporting Reference Compounds
46
E-value
5070.79
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.152
Applicability Domain
0.186 Low confidence
Statistical Significance
0.5727
Supporting Reference Compounds
42
E-value
4458.58
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.186 Low confidence
Statistical Significance
0.703
Supporting Reference Compounds
31
E-value
5473.11
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.186 Low confidence
Statistical Significance
0.8276
Supporting Reference Compounds
58
E-value
6443.04
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.141
Applicability Domain
0.163 Low confidence
Statistical Significance
0.7471
Supporting Reference Compounds
40
E-value
5816.12
Gasdermin-D structureClick to view 3D structureGasdermin-DP57764HumansPredicted (SEA)
Prediction Confidence Score
0.141
Applicability Domain
0.156 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.34191
Gasdermin-D structureClick to view 3D structureGasdermin-DQ9D8T2Mus musculusPredicted (SEA)
Prediction Confidence Score
0.141
Applicability Domain
0.156 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
2
E-value
9.34191
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.186 Low confidence
Statistical Significance
0.0137
Supporting Reference Compounds
3
E-value
106.653
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.137 Low confidence
Statistical Significance
0.014
Supporting Reference Compounds
1
E-value
108.833
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.189 Low confidence
Statistical Significance
0.9869
Supporting Reference Compounds
372
E-value
7683.02
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.189 Low confidence
Statistical Significance
0.9822
Supporting Reference Compounds
332
E-value
7646.43
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.186 Low confidence
Statistical Significance
0.9925
Supporting Reference Compounds
472
E-value
7726.22
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.186 Low confidence
Statistical Significance
0.9882
Supporting Reference Compounds
407
E-value
7692.83
Click to view 3D structureHistidine biosynthesis bifunctional protein HisBP06987Escherichia coli O26:H11 str. CFSAN001629Predicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.133 Low confidence
Statistical Significance
0.034
Supporting Reference Compounds
1
E-value
265.077
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.186 Low confidence
Statistical Significance
0.9958
Supporting Reference Compounds
234
E-value
7751.99
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.189 Low confidence
Statistical Significance
0.991
Supporting Reference Compounds
242
E-value
7714.78
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.189 Low confidence
Statistical Significance
0.9808
Supporting Reference Compounds
172
E-value
7635.37
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.156 Low confidence
Statistical Significance
0.9704
Supporting Reference Compounds
76
E-value
7554.33
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansKnownNot Available
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansKnownNot Available
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansKnownNot Available
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansKnownNot Available
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0062577
FooDB IDFDB034846
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPhorate
Chemspider IDNot Available
ChEBI ID38764
PubChem Compound ID4790
Kegg Compound IDC18690
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. Extension Toxicology Network (1993). Pesticide Information Profile for Phorate. A Pesticide Information Project of Cooperative Extension Offices of Cornell University, Michigan State University, Oregon State University, and University of California at Davis. http://pmep.cce.cornell.edu/profiles/extoxnet/metiram-propoxur/phorate-ext.html
  2. International Programme on Chemical Safety (IPCS) INCHEM (1988). Pesticide Document for Phorate. http://www.inchem.org/documents/pds/pds/pest75_e.htm