Perfluorohexanesulfonate (CED0008883)

Record Information
Version1.0
Creation Date2026-04-06 06:58:00 UTC
Update Date2026-04-16 21:15:45 UTC
SynCED IDCED0008883
Secondary Accession Numbers
  • CHEM119540
Identification
Common NamePerfluorohexanesulfonate
ClassSmall Molecule
Description
Perfluorohexanesulfonate is an organic compound with the formula C6F13O3S and an average molecular weight of 399.10 g/mol. Perfluorohexanesulfonate belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. This substance has been identified in or released from 14 recorded sources. Within the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. It is found in the textiles, leather and furnishings sector, specifically in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing and cookware sector, lubricants from the energy, oil and gas sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and drinking water from the drinking water and water supply sector, along with two additional sectors. Human exposure to perfluorohexanesulfonate occurs through oral, inhalation, and touch routes. In the context of plastics, the compound has not been detected in polyamide, polyethylene terephthalate, polystyrene, or polypropylene.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6F13O3S
Average Molecular Mass399.100 g/mol
Monoisotopic Mass398.936 g/mol
CAS Registry Number108427-53-8
IUPAC NameNot Available
Traditional NameNot Available
SMILES[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)/p-1
InChI KeyQZHDEAJFRJCDMF-UHFFFAOYSA-M
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
228.0 Log mg/kg [130:400]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
hypertensionAssociated With?increaseA disorder characterized by a pathological increase in blood pressure; a repeatedly elevation in the blood pressure exceeding 140 over 90 mm Hg. (NCI CTCAE)PMC7507812
inflammationAssociated With?Not AvailableNot AvailablePMC8027000
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.PMC12069088
breast cancerAssociated With?increaseA breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)PMC8743032
overweightAssociated With?increaseNot AvailablePMC7917013
overweightAssociated With?Not AvailableNot AvailablePMC8458955
colorectal cancerAssociated With?increaseA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC12069088
colorectal cancerAssociated With?Not AvailableA large intestine cancer that is located in the colon and/or located in the rectum. (DO)PMC12069088
infertilityAssociated With?increaseA disorder characterized by the inability to reproduce by natural means.PMC5743639
osteoporosisAssociated With?increaseA disorder characterized by reduced bone mass, with a decrease in cortical thickness and in the number and size of the trabeculae of cancellous bone (but normal chemical composition), resulting in increased fracture incidence. (NCI CTCAE)PMC8743032
asthmaAssociated With?increaseA 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)PMC7492379
asthmaAssociated With?Not 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)PMC7492379 , PMC12309456
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)PMC13307133
Hepatocellular carcinomaAssociated With?increaseA liver carcinoma that has material basis in undifferentiated hepatocytes. (DO)PMC12069088
liver cancerAssociated With?increaseLiver cancer, also known as hepatic cancer and primary hepatic cancer, is cancer that starts in the liver. Cancer which has spread from elsewhere to the liver, known as liver metastasis, is more common than that which starts in the liver. Symptoms of liver cancer may include a lump or pain in the right side below the rib cage, swelling of the abdomen, yellowish skin, easy bruising, weight loss and weakness.("Adult Primary Liver Cancer Treatment (PDQ®)–Patient Version". NCI. 6 July 2016. Archived from the original on 2 October 2016. Retrieved 29 September 2016) The leading cause of liver cancer is cirrhosis due to hepatitis B, hepatitis C or alcohol.(PMID: 25530442) The most common types of liver cancer are hepatocellular carcinoma (HCC), which makes up 80% of cases, and cholangiocarcinoma.(World Cancer Report 2014. World Health Organization. 2014. pp. Chapter 5.6. ISBN 978-9283204299) Globally, as of 2010, liver cancer resulted in 754,000 deaths, up from 460,000 in 1990, making it the third leading cause of cancer death after lung and stomach.(PMID: 23245604) In 2012, it represented 7% of cancer diagnoses in men, the 5th most diagnosed cancer that year.(World Cancer Report 2014. International Agency for Research on Cancer, World Health Organization. 2014. ISBN 978-92-832-0432-9)PMC12069088
leukemiaAssociated With?increaseA cancer that affects the blood or bone marrow characterized by an abnormal proliferation of blood cells. (DO)PMC12069088
leukemiaAssociated With?Not AvailableA cancer that affects the blood or bone marrow characterized by an abnormal proliferation of blood cells. (DO)PMC12069088
obesityAssociated With?Not AvailableA disorder characterized by having a high amount of body fat. (NCI CTCAE)PMC8458955
liver diseaseAssociated With?Not AvailableA disorder characterized by any variety of factors leading to damage to the liver.PMC13307133
ischemiaAssociated With?Not AvailableA disorder characterized by a decrease or absence of blood supply to an organ or tissue, caused by obstruction (thrombosis or embolism) of an artery. (NCI CTCAE)PMC11068156
coronary artery diseaseAssociated With?Not AvailableAn artery disease that is characterized by plaque building up along the inner walls of the arteries of the heart resulting in a narrowing of the arteries and a reduced blood supply to the cardiac muscles. (DO)PMC11068156
miscarriageAssociated With?positiveA natural death of an embryo or fetus before it is able to survive independently.PMC12818866
EndometriosisAssociated With?increaseEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC13061528
EndometriosisAssociated With?Not AvailableEndometriosis is a condition that affects women in which cells similar to those in the endometrium, the layer of tissue that normally covers the inside of the uterus, grow outside the uterus (mainly in the ovaries and fallopian tubes). The main symptoms are pelvic pain and infertility, although 20-25% of women are asymptomatic. Pain during sexual intercourse is also common. Other symptoms include diarrhea or constipation, chronic fatigue, nausea and vomiting, headaches, low-grade fevers, heavy and/or irregular periods, and hypoglycemia. Endometriosis is a common condition. About 6–10% of women are affected. Endometriosis is most common in those in their thirties and forties; however, it can begin in girls as early as eight years old.PMC13061528
vascular diseaseAssociated With?Not AvailableA cardiovascular system disease that primarily affects the blood vessels which includes the arteries, veins and capillaries that carry blood to and from the heart. (DO)PMC11068156
acute myocardial infarctionAssociated With?Not AvailableNot AvailablePMC13114514
brain cancerAssociated With?increaseNot AvailablePMC12069088
esophageal cancerAssociated With?increaseEsophageal cancer is cancer that occurs in the esophagus — a long, hollow tube that runs from the throat to the stomach. Esophageal cancer usually begins in the cells that line the inside of the esophagus. Esophageal cancer is the sixth most common cause of cancer deaths worldwide. Incidence rates vary within different geographic locations. In some regions, higher rates of esophageal cancer may be attributed to tobacco and alcohol use or particular nutritional habits and obesity. Signs and symptoms of esophageal cancer are weight loss and painful or difficult swallowing.PMC12069088
kidney cancerAssociated With?Not AvailableA urinary system cancer that is located in the kidney. (DO)PMC12069088
pre-eclampsiaAssociated With?positiveNot AvailablePMC7395962
pre-eclampsiaAssociated With?Not AvailableNot AvailablePMC11625001
hepatic fibrosisAssociated With?Not AvailableNot AvailablePMC12818866
pertussisAssociated With?increaseNot AvailablePMC12991553
hemorrhagic strokeAssociated With?Not AvailableNot AvailablePMC13114514
nephrolithiasisElevated in Blood InincreaseNot AvailablePMC12174110
urinary bladder cancerAssociated With?Not AvailableNot AvailablePMC12069088
Oxidative StressAssociated With?increaseNot AvailablePMC13114514
Oxidative StressAssociated With?Not AvailableNot AvailablePMC13307133
MortalityAssociated With?increaseNot AvailablePMC13114514
DNA DamageAssociated With?Not AvailableNot AvailablePMC13307133 , PMC13307133
disease by infectious agentAssociated With?increaseNot AvailablePMC10044447
AdiposityAssociated With?inverseNot AvailablePMC8027000
AdiposityAssociated With?Not AvailableNot AvailablePMC11786237
AdiposityAssociated With?increaseNot AvailablePMC11786237
Atypical behaviorAssociated With?Not AvailableNot AvailablePMC13307133
thyroid gland disorderAssociated With?increaseNot AvailablePMC11789536
FertilityAssociated With?decreaseNot AvailablePMC8743032
autistic disorderElevated in Blood InincreaseNot AvailablePMC10496028
autistic disorderAssociated With?decreaseNot AvailablePMC5154805
SarcopeniaAssociated With?Not AvailableNot AvailablePMC13249150
hyperlipidemiaAssociated With?Not AvailableNot AvailablePMC11945897
fatty liver diseaseAssociated With?Not AvailableNot AvailablePMC8834714
Hearing impairmentAssociated With?Not AvailableNot AvailablePMC12425078
Immunosuppression TherapyAssociated With?Not AvailableNot AvailablePMC11214689 , PMC7084585
precocious pubertyAssociated With?Not AvailableNot AvailablePMC8743032
gastrointestinal system cancerAssociated With?increaseNot AvailablePMC12069088
gallbladder cancerAssociated With?increaseNot AvailablePMC12069088
Executive FunctionAssociated With?Not AvailableNot AvailablePMC5507173
Sleep DurationAssociated With?decreaseNot AvailablePMC11542765
Waist-Hip RatioAssociated With?increaseNot AvailablePMC8458955
retinal diseaseAssociated With?Not AvailableNot AvailablePMC11068156
Accelerated atherosclerosisAssociated With?Not AvailableNot AvailablePMC11068156
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
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 managementPMC5380130 , PMC10927784
CEDs000018Indoor dust?Indoor dust is a complex mixture of particles that accumulates in indoor environments, consisting of materials such as skin flakes, hair, textile fibers, and particles from outdoor sources.Air, dust & atmospheric transportPMC10971306
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC11100840 , PMC12183543
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC8081634 , PMC8081634
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 supplyPMC8865622 , PMC9449549
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC10688155 , PMC12194177
CEDs000117Bottled water?Bottled water, while perceived as a safe and convenient alternative to tap water, can be a source of synthetic chemical contamination.Drinking water & water supplyPMC11057678
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000462Landfill leachate?Landfill leachate is a liquid that forms when rainwater or moisture percolates through waste materials in a landfill, dissolving various soluble substances and contaminants.Waste management, landfill & incinerationPMC13258652
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC10927784
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC12183543
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
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
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
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.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
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
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
CEDs01143DietFood, food processing & cookwarePMC11364711
CEDs01147BeerFood, food processing & cookwarePMC12060270
CEDs01148MilkFood, food processing & cookwarePMC11247473 , PMC8865090
CEDs01153Breast MilkFood, food processing & cookwarePMC4930908 , PMC8865622
CEDs01154Human MilkFood, food processing & cookwarePMC10223184
CEDs01170EggsFood, food processing & cookwarePMC12941165 , PMC13257230
CEDs01171MeatFood, food processing & cookwarePMC13257230
CEDs01214BeersFood, food processing & cookwarePMC12060270 , PMC12060270
CEDs01258Processed MeatFood, food processing & cookwarePMC11057678
CEDs01274Infant FormulaFood, food processing & cookwarePMC9872587
CEDs01323Diet SamplesFood, food processing & cookwarePMC5380130
CEDs01390ShellfishFood, food processing & cookwarePMC12471464
CEDs01440Shellfish SamplesFood, food processing & cookwarePMC12935813
CEDs01635Fish MeatFood, food processing & cookwarePMC10766788
CEDs01666Beef LiverFood, food processing & cookwarePMC13337144
CEDs01801Food PackagingPackagingPMC8027000
CEDs02224Well WaterDrinking water & water supplyPMC13195896
CEDs02235Drinking Water SamplesDrinking water & water supplyPMC10688155
CEDs02247Drinking Water WellsDrinking water & water supplyPMC13195896
CEDs02255WaterAquatic systems & sedimentsPMC10688155 , PMC13267845
CEDs02261Sea WaterAquatic systems & sedimentsPMC12350090
CEDs02264SedimentAquatic systems & sedimentsPMC10611052 , PMC7459773
CEDs02265River WaterAquatic systems & sedimentsPMC10130131
CEDs02268Water SamplesAquatic systems & sedimentsPMC10688155 , PMC13195896
CEDs02270RiverAquatic systems & sedimentsPMC6572331
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC13307133
CEDs02286LakeAquatic systems & sedimentsPMC6572331
CEDs02319Lake WaterAquatic systems & sedimentsPMC10688155 , PMC6572331
CEDs02427Lake ChaohuAquatic systems & sedimentsPMC6572331
CEDs02499Sediment ColumnAquatic systems & sedimentsPMC7459773
CEDs02590DustAir, dust & atmospheric transportPMC11784640 , PMC5380130
CEDs02593House DustAir, dust & atmospheric transportPMC6190571
CEDs02619Settled DustAir, dust & atmospheric transportPMC11784640
CEDs02625Dust SamplesAir, dust & atmospheric transportPMC5380130 , PMC9730836
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC12183543
CEDs03040Wastewater SludgeWastewater, sanitation & biosolidsPMC12621309
CEDs03135Biosolids-amended SoilsWastewater, sanitation & biosolidsPMC10922530
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC8027000
CEDs03204UpholsteryTextiles, leather & furnishingsPMC6190571
CEDs03216CarpetTextiles, leather & furnishingsPMC7017391
CEDs03227CarpetsTextiles, leather & furnishingsPMC6190571
CEDs03294Runoff WaterAutomotive & urban infrastructurePMC12183543
CEDs03437Aqueous Film Forming FoamsFire suppression systems & agentsPMC7244264
CEDs03438AFFFFire suppression systems & agentsPMC7244264 , PMC13045011
CEDs03439Firefighting FoamsFire suppression systems & agentsPMC7244264
CEDs03440Firefighting FoamFire suppression systems & agentsPMC12183543
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Albumin structureClick to view 3D structureAlbuminP02768HumansKnownNot Available
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansKnownNot Available
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.261 Low confidence
Statistical Significance
0.5328
Supporting Reference Compounds
472
E-value
4147.81
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.261 Low confidence
Statistical Significance
0.4791
Supporting Reference Compounds
407
E-value
3729.68
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.261 Low confidence
Statistical Significance
0.779
Supporting Reference Compounds
242
E-value
6064.14
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.245 Low confidence
Statistical Significance
0.3099
Supporting Reference Compounds
64
E-value
2412.63
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.261 Low confidence
Statistical Significance
0.1151
Supporting Reference Compounds
22
E-value
895.889
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.182 Low confidence
Statistical Significance
0.9103
Supporting Reference Compounds
372
E-value
7086.54
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.182 Low confidence
Statistical Significance
0.7976
Supporting Reference Compounds
165
E-value
6209.18
Carbonic anhydrase 13 structureClick to view 3D structureCarbonic anhydrase 13Q8N1Q1HumansPredicted (SEA)
Prediction Confidence Score
0.155
Applicability Domain
0.261 Low confidence
Statistical Significance
0.7352
Supporting Reference Compounds
92
E-value
5723.79
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.184 Low confidence
Statistical Significance
0.0125
Supporting Reference Compounds
6
E-value
97.5451
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.245 Low confidence
Statistical Significance
0.978
Supporting Reference Compounds
400
E-value
7613.81
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.152 Low confidence
Statistical Significance
0.8921
Supporting Reference Compounds
65
E-value
6945.01
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.245 Low confidence
Statistical Significance
0.9731
Supporting Reference Compounds
292
E-value
7575.43
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.245 Low confidence
Statistical Significance
0.9713
Supporting Reference Compounds
258
E-value
7561.88
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.148 Low confidence
Statistical Significance
0.9211
Supporting Reference Compounds
102
E-value
7170.93
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.184 Low confidence
Statistical Significance
0.6244
Supporting Reference Compounds
55
E-value
4860.75
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)
Prediction Confidence Score
0.144
Applicability Domain
0.152 Low confidence
Statistical Significance
0.9197
Supporting Reference Compounds
76
E-value
7159.72
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansKnownNot Available
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.148 Low confidence
Statistical Significance
0.8247
Supporting Reference Compounds
41
E-value
6419.91
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.162 Low confidence
Statistical Significance
0.3242
Supporting Reference Compounds
43
E-value
2523.87
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.162 Low confidence
Statistical Significance
0.9206
Supporting Reference Compounds
151
E-value
7167.11
Click to view 3D structureCarbonic anhydraseC0IX24Stylophora pistillataPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.162 Low confidence
Statistical Significance
0.3241
Supporting Reference Compounds
41
E-value
2522.86
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.162 Low confidence
Statistical Significance
0.9463
Supporting Reference Compounds
193
E-value
7366.87
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP40881Methanosarcina thermophilaPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.162 Low confidence
Statistical Significance
0.1197
Supporting Reference Compounds
22
E-value
931.699
Click to view 3D structureAstrosclerin-3A6YCJ1Astrosclera willeyanaPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.162 Low confidence
Statistical Significance
0.3544
Supporting Reference Compounds
44
E-value
2759.21
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.14
Applicability Domain
0.162 Low confidence
Statistical Significance
0.9762
Supporting Reference Compounds
332
E-value
7599.56
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseP53615Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.14
Applicability Domain
0.162 Low confidence
Statistical Significance
0.3271
Supporting Reference Compounds
34
E-value
2546.84
Solute carrier organic anion transporter family member 1B1 structureClick to view 3D structureSolute carrier organic anion transporter family member 1B1Q9Y6L6HumansKnownNot Available
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available