Tributyltin (CED0004700)

Record Information
Version1.0
Creation Date2009-03-06 18:58:08 UTC
Update Date2026-05-14 18:58:47 UTC
SynCED IDCED0004700
Secondary Accession Numbers
  • CHEM000124
  • T3D0134
Identification
Common NameTributyltin
ClassSmall Molecule
Description
Tributyltin (C12H27Sn) is an exogenous organometallic compound with an average molecular weight of 290.05 g/mol. It exists as a solid at room temperature. Tributyltin belongs to the organotin compounds, a subclass of organo-post-transition metal compounds within the organic compounds. This substance is used in polyvinyl chloride and is present in ethylene-vinyl acetate and polyurethane. It has been released from six recorded sources, including floors in building and construction, drinking water and water supply, other smoking requisites in household cleaning and consumer products, and electrical and electronic equipment such as power cables, communication cables or conductors, and cores yokes or armatures. The recorded exposure route for this compound is oral. Tributyltin interacts with 18 recorded protein targets. It inhibits the chymotrypsin-like activity of cellular and 20S proteasomes by binding to the proteasome subunit beta type-5 (PSMB5), which results in apoptosis. It inhibits thioredoxin reductase 2, mitochondrial (TXNRD2) and thioredoxin reductase 1, cytoplasmic (TXNRD1), leading to the production of hydrogen peroxide. As an endocrine disruptor, it is believed to contribute to obesity through the inappropriate activation of retinoic acid receptors (RARA, RARB, RARG) and peroxisome proliferator-activated receptor gamma (PPARG), leading to adipocyte differentiation. Additionally, organic tin compounds are weak inhibitors of alcohol dehydrogenase, affecting proteins such as ADH1A, ADH1B, ADH1C, ADH4, and ADH6. Other recorded protein targets include the estrogen receptor (ESR1), nuclear receptor coactivator 2 (NCOA2), retinoic acid receptor RXR-alpha (RXRA), and transient receptor potential cation channel subfamily A member 1 (TRPA1).
Contaminant Type
  • Industrial/Workplace Toxin
  • Lachrymator
  • Organic Compound
  • Organometallic
  • Pesticide
  • Pollutant
  • Synthetic Compound
  • Tin Compound
Chemical Structure
Synonyms
ValueSource
[sn(Bu)3H]ChEBI
SnBu3hChEBI
TBTChEBI
Tri-N-butyltinChEBI
Tri-N-butyltin hydrideChEBI
TributyltinChEBI
Tributyltin hydrideMeSH
Tributyltin tetrafluoroborateMeSH
Tri-N-butyl tin maleateMeSH
Tributyltin chlorideMeSH
Tributyltin ion (1+)MeSH
Tributyltin fluorideMeSH
TBTC ChlorideMeSH
Tributyltin acetateMeSH
Tributyltin-D27MeSH
Chemical FormulaC12H27Sn
Average Molecular Mass290.050 g/mol
Monoisotopic Mass291.113 g/mol
CAS Registry Number688-73-3
IUPAC Nametributylstannyl
Traditional Nametributylstannanyl
SMILESCCCC[Sn](CCCC)CCCC
InChI IdentifierInChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;
InChI KeyDBGVGMSCBYYSLD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as trialkyltins. These are triorganotin compounds where the tin atom is linked to exactly three alkyl groups.
KingdomOrganic compounds
Super ClassOrganometallic compounds
ClassOrgano-post-transition metal compounds
Sub ClassOrganotin compounds
Direct ParentTrialkyltins
Alternative Parents
Substituents
  • Trialkyltin
  • Hydrocarbon derivative
  • Organic salt
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Actin Cytoskeleton
  • Actin Filament
  • Cell junction
  • Cell surface
  • Cytoskeleton
  • Cytosol
  • Endoplasmic reticulum
  • Extracellular
  • Extracellular matrix
  • Golgi apparatus
  • Lysosome
  • Membrane
  • Microsome
  • Mitochondrial Membrane
  • Mitochondrion
  • Nuclear Membrane
  • Peroxisome
  • Plasma Membrane
  • Sarcoplasmic Reticulum
  • Secretory Granule
  • Secretory vesicle
  • Soluble Fraction
  • Synaptic Vesicle
  • Zymogen Granule
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic Effects
  • colorless colour ?
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling Point80 °C at 4.00E-01 mm Hg
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.088 g/LALOGPS
logP6.17ALOGPS
logP3.53ChemAxon
logS-3.5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity58.42 m³·mol⁻¹ChemAxon
Polarizability27.18 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-be2374c25452069674fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-be2374c25452069674fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-be2374c25452069674fbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-de3aec4a0b11a23def54Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-de3aec4a0b11a23def54Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0090000000-de3aec4a0b11a23def54Not AvailableView Spectrum
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityOrganotin compounds produce neurotoxic and immunotoxic effects. Organotins may directly activate glial cells contributing to neuronal cell degeneration by local release of pro-inflammatory cytokines, tumor necrosis factor-alpha, and/or interleukins. They may also induce apoptosis by direct action on neuronal cells. Organotin compounds stimulate the neuronal release of and/or decrease of neuronal cell uptake of neurotransmitters in brain tissue, including aspartate, GABA, glutamate, norepinephrine, and serotonin. This may be either a contributing factor to or result of the neuronal cell loss. The immunotoxic effects of organotins are characterized by thymic atrophy caused by the suppression of proliferation of immature thymocytes and apoptosis of mature thymocytes. Organotin compounds are believed to exert these effects by suppressing DNA and protein synthesis, inducing the expression of genes involved in apoptosis (such as nur77), and disrupting the regulation of intracellular calcium levels, giving rise to the uncontrolled production of reactive oxygen species, release of cytochrome c to the cytosol, and the proteolytic and nucleolytic cascade of apoptosis. The suppression of proliferation of immature thymocytes further results in the suppression of T-cell-mediated immune responses. Organotins are also endocrine disruptors and are believed to contribute to obesity by inappropriate receptor activation, leading to adipocyte differentiation. Inorganic tin triggers eryptosis, contributing to tin-induced anemia. (4, 1, 2)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Minimum Risk LevelNot Available
SymptomsInorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (4)
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
inflammationAssociated With?decreaseNot AvailablePMC6559802
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.PMC3703873
type 2 diabetes mellitusAssociated With?Not AvailableNot AvailablePMC8714029
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)PMC3703873
weight gainAssociated With?Not AvailableA finding characterized by an increase in overall body weight; for pediatrics, greater than the baseline growth curve. (NCI CTCAE)PMC8919592
obesityAssociated With?Not AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC6497561 , PMC13194497
obesityAssociated With?increaseA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC9600458
chronic inflammationAssociated With?Not AvailableChronic inflammation is a slow, long-term inflammation lasting for prolonged periods of several months to years. Chronic inflammation can damage healthy cells, tissues, and organs. The main causes of the chronic inflammation includes the untreated causes of acute inflammation, such as an infection or injury, an autoimmune disorder and a long-term exposure to irritants, such as industrial chemicals or polluted air.PMC9939003
hepatic steatosisAssociated With?Not AvailableNot AvailablePMC11116573 , PMC11171786
Toxic encephalopathyAssociated With?Not AvailableNot AvailablePMC3806468
lipid metabolism disorderAssociated With?increaseNot AvailablePMC9984265
Cell DeathAssociated With?Not AvailableNot AvailablePMC13086666
abdominal obesity-metabolic syndromeAssociated With?increaseNot AvailablePMC6544361
Oxidative StressAssociated With?increaseNot AvailablePMC8918846
Endoplasmic Reticulum StressAssociated With?Not AvailableNot AvailablePMC5550485 , PMC5550485
DNA DamageAssociated With?Not AvailableNot AvailablePMC3806468
FibrosisAssociated With?decreaseNot AvailablePMC6559802
VirilismAssociated With?Not AvailableNot AvailablePMC8918846 , PMC6324484
metabolic diseaseAssociated With?Not AvailableNot AvailablePMC3703873
AdiposityAssociated With?increaseNot AvailablePMC9600458
Body WeightAssociated With?increaseNot AvailablePMC3245362 , PMC10424724
infectious diseaseAssociated With?increaseNot AvailablePMC5615167
ApoptosisAssociated With?Not AvailableNot AvailablePMC9820113
metabolic dysfunction-associated steatotic liver diseaseAssociated With?Not AvailableNot AvailablePMC6438851
fatty liver diseaseAssociated With?increaseNot AvailablePMC8716683
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 managementPMC3972443 , PMC8563023
CEDs000048Marine sediment?Marine sediment can serve as a significant reservoir for synthetic chemical contaminants, which may originate from various anthropogenic activities.Aquatic systems & sedimentsPMC13086666
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 supplyPMC8919592 , PMC6559802
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
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC10799133 , PMC10799133
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
CEDs000510Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.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
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
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
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
CEDs000529Power Cables?Power cables are used to transmit electrical energy and are typically composed of conductive materials, insulation, and protective coatings.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
CEDs000555Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.Household cleaning & consumer productsPubChem
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
CEDs000560Other Smoking Requisites?Other smoking requisites, including items such as lighters, matches, and rolling papers, can introduce synthetic chemical contamination through various components and additives.Household cleaning & consumer productsPubChem
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
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
CEDs000591Lifeboats?Lifeboats, used for emergency evacuation at sea, can be a source of synthetic chemical contamination due to the materials and substances used in their construction and maintenance.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
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
CEDs000600Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.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
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
CEDs000616Face Mask Cosmetics?Face mask cosmetics often contain a variety of synthetic chemicals, including preservatives, emulsifiers, and fragrances, which can contribute to chemical contamination.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
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
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
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.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
CEDs000663Sanitary Equipment?Sanitary equipment, including toilets, sinks, and drainage systems, can serve as conduits for synthetic chemical contamination.Wastewater, sanitation & biosolidsPubChem
CEDs000669PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.Fire suppression systems & agentsPubChem
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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.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
CEDs000692Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.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
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
CEDs000727Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.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
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
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
CEDs00764Surface SoilAgriculture & land managementPMC3972443
CEDs01143DietFood, food processing & cookwarePMC8228876
CEDs01144FoodFood, food processing & cookwarePMC5550485
CEDs01148MilkFood, food processing & cookwarePMC4737589
CEDs01226SeafoodFood, food processing & cookwarePMC6559802
CEDs01268Food ChainsFood, food processing & cookwarePMC5453125
CEDs01390ShellfishFood, food processing & cookwarePMC6559802
CEDs01428Edible OilsFood, food processing & cookwarePMC8585625
CEDs01564Dietary SourcesFood, food processing & cookwarePMC8228876
CEDs01800Food Contact MaterialsPackagingPMC7437819
CEDs01886PlasticIndustrial manufacturing & chemical processingPMC6559802
CEDs01961Polyvinyl Chloride PlasticsIndustrial manufacturing & chemical processingPMC3295356
CEDs02255WaterAquatic systems & sedimentsPMC3867191 , PMC12917318
CEDs02256Marine EnvironmentAquatic systems & sedimentsPMC11433177 , PMC8744944
CEDs02261Sea WaterAquatic systems & sedimentsPMC3806468 , PMC4866715
CEDs02264SedimentAquatic systems & sedimentsPMC5044975 , PMC5044975
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC8918846
CEDs02278Sediment SurfaceAquatic systems & sedimentsPMC5219026
CEDs02284Marine EcosystemAquatic systems & sedimentsPMC3806468 , PMC5972511
CEDs02291Sediment SamplesAquatic systems & sedimentsPMC8026099
CEDs02346Bottom SedimentsAquatic systems & sedimentsPMC7037272 , PMC7037272
CEDs02362Coastal WatersAquatic systems & sedimentsPMC10424724
CEDs02380EstuaryAquatic systems & sedimentsPMC3807508
CEDs02439Bottom SedimentAquatic systems & sedimentsPMC7037272
CEDs02514Marine BrothAquatic systems & sedimentsPMC4541717
CEDs02525Marine FishAquatic systems & sedimentsPMC12386664
CEDs02541Dredged SedimentsAquatic systems & sedimentsPMC12325573
CEDs02553Estuarine WaterAquatic systems & sedimentsPMC4866715
CEDs02593House DustAir, dust & atmospheric transportPMC6559802
CEDs02626Suspended Particulate MatterAir, dust & atmospheric transportPMC5044975
CEDs02738PaintBuilding & ConstructionPMC7180454 , PMC3016494
CEDs02787Anti-fouling PaintsBuilding & ConstructionPMC8918846
CEDs02818PVC flooringBuilding & ConstructionPMC10038118
CEDs02927Household ItemsHousehold itemsPMC5550485
CEDs03203TextileTextiles, leather & furnishingsPMC3295356
CEDs03227CarpetsTextiles, leather & furnishingsPMC3787697
CEDs03415Antifouling PaintsMarine, shipping & aquaculturePMC3806468 , PMC3806468
CEDs03418Antifouling PaintMarine, shipping & aquaculturePMC8296234 , PMC10458078
Pathways
16 pathwaysPathway Source: PathBank
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.95266
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.261 Low confidence
Statistical Significance
0.1009
Supporting Reference Compounds
127
E-value
785.499
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0811
Supporting Reference Compounds
197
E-value
631.357
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.231 Low confidence
Statistical Significance
8.40e-04
Supporting Reference Compounds
1
E-value
6.53933
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.261 Low confidence
Statistical Significance
0.1089
Supporting Reference Compounds
89
E-value
848.167
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0055
Supporting Reference Compounds
15
E-value
42.5835
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.261 Low confidence
Statistical Significance
0.0083
Supporting Reference Compounds
21
E-value
65.0041
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.218
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2421
Supporting Reference Compounds
106
E-value
1884.57
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.25 Low confidence
Statistical Significance
0.0947
Supporting Reference Compounds
83
E-value
737.466
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansKnownNot Available
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0031
Supporting Reference Compounds
14
E-value
24.3668
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0113
Supporting Reference Compounds
22
E-value
88.3589
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0037
Supporting Reference Compounds
1
E-value
28.8821
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0101
Supporting Reference Compounds
1
E-value
79.017
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.214
Applicability Domain
0.261 Low confidence
Statistical Significance
0.3813
Supporting Reference Compounds
407
E-value
2968.08
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0047
Supporting Reference Compounds
15
E-value
36.667
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.261 Low confidence
Statistical Significance
0.3734
Supporting Reference Compounds
192
E-value
2907.28
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.25 Low confidence
Statistical Significance
0.1254
Supporting Reference Compounds
46
E-value
976.151
Click to view 3D structureSolute carrier family 22 member 2Q9R0W2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.333
Statistical Significance
0.0018
Supporting Reference Compounds
14
E-value
13.7015
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.25 Low confidence
Statistical Significance
0.2567
Supporting Reference Compounds
102
E-value
1998.55
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.207
Applicability Domain
0.226 Low confidence
Statistical Significance
0.0033
Supporting Reference Compounds
4
E-value
25.9238
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0406
Supporting Reference Compounds
40
E-value
316.146
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0036
Supporting Reference Compounds
2
E-value
28.0257
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.261 Low confidence
Statistical Significance
0.4372
Supporting Reference Compounds
332
E-value
3403.96
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0796
Supporting Reference Compounds
55
E-value
619.446
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansKnownNot Available
Aromatase structureClick to view 3D structureAromataseP11511HumansKnownNot Available
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Mitogen-activated protein kinase structureClick to view 3D structureMitogen-activated protein kinaseA3FQ79Cryptosporidium parvum (strain Iowa II)KnownNot Available
Catalase structureClick to view 3D structureCatalaseP04040HumansKnownNot Available
Homogentisate 1,2-dioxygenase structureClick to view 3D structureHomogentisate 1,2-dioxygenaseQ93099HumansKnownNot Available
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansKnownNot Available
Alcohol dehydrogenase 1A structureClick to view 3D structureAlcohol dehydrogenase 1AP07327HumansKnownOrganic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
All-trans-retinol dehydrogenase [NAD(+)] ADH1B structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH1BP00325HumansKnownOrganic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
Alcohol dehydrogenase 1C structureClick to view 3D structureAlcohol dehydrogenase 1CP00326HumansKnownInorganic and organic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansKnownOrganic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
Click to view 3D structureAlcohol dehydrogenase 6P28332HumansKnownOrganic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansKnownOrganic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
Alcohol dehydrogenase class-3 structureClick to view 3D structureAlcohol dehydrogenase class-3P11766HumansKnownOrganic tin compounds are weak inhibitors of alcohol dehydrogenase. (A183)
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Nuclear receptor coactivator 2 structureClick to view 3D structureNuclear receptor coactivator 2Q15596HumansKnownNot Available
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansKnownOrganotins are endocrine disruptors and are believed to contribute to obesity by inappropriate activation of peroxisome proliferator-activated receptor gamma, leading to adipocyte differentiation. (A184)
Proteasome subunit beta type-5 structureClick to view 3D structureProteasome subunit beta type-5P28074HumansKnownOrganotins inhibit the chymotrypsin-like activity of 20S and cellular proteasomes by binding to the beta-5 subunit. This results in apoptosis caused by downstream effects in the proteasome pathway. (A181)
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansKnownOrganotins are endocrine disruptors and are believed to contribute to obesity by inappropriate activation of retinoic acid receptors, leading to adipocyte differentiation. (A184)
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansKnownOrganotins are endocrine disruptors and are believed to contribute to obesity by inappropriate activation of retinoic acid receptors, leading to adipocyte differentiation. (A184)
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansKnownOrganotins are endocrine disruptors and are believed to contribute to obesity by inappropriate activation of retinoic acid receptors, leading to adipocyte differentiation. (A184)
Thioredoxin reductase 1, cytoplasmic structureClick to view 3D structureThioredoxin reductase 1, cytoplasmicQ16881HumansKnownTributyltin inhibits thioredoxin reductase, leading to hydrogen peroxide production. (A185)
Click to view 3D structureThioredoxin reductase 2, mitochondrialQ9NNW7HumansKnownTributyltin inhibits thioredoxin reductase, leading to hydrogen peroxide production. (A185)
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansKnownNot Available
Concentrations
Not Available
External Links
DrugBank IDDB08601
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID27086
PubChem Compound ID5948
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
  1. Nguyen TT, Foller M, Lang F: Tin triggers suicidal death of erythrocytes. J Appl Toxicol. 2009 Jan;29(1):79-83. doi: 10.1002/jat.1390. [PubMed: 18937211]
  2. Grun F, Blumberg B: Environmental obesogens: organotins and endocrine disruption via nuclear receptor signaling. Endocrinology. 2006 Jun;147(6 Suppl):S50-5. Epub 2006 May 11. [PubMed: 16690801]
  3. Wikipedia. Tributyltin. Last Updated 31 May 2009. - http://en.wikipedia.org/wiki/Tributyltin
  4. ATSDR - Agency for Toxic Substances and Disease Registry (2005). Toxicological profile for tin. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). - http://www.atsdr.cdc.gov/toxprofiles/tp55.html
  5. Wikipedia. Tin. Last Updated 28 May 2009. - http://en.wikipedia.org/wiki/Tin