Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro- (CED0190103)

Record Information
Version1.0
Creation Date2016-05-19 03:38:42 UTC
Update Date2026-08-23 03:08:42 UTC
SynCED IDCED0190103
Secondary Accession Numbers
  • CHEM011434
Identification
Common NamePentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-
ClassSmall Molecule
Description
Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro- is an organic compound with the chemical formula C5HF9O2 and an average molecular weight of 264.05 g/mol. Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro- belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. The compound is found in or released from 17 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with batteries, capacitors, printed circuit boards, wires and cables, cell phones, and three other sources. It is present in food packaging and food contact materials related to food, food processing, and cookware. In the textiles, leather, and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Other recorded sources include lubricants from the energy, oil, and gas sector, medical devices from the healthcare, pharmaceuticals, and veterinary products sector, and indoor air from air, dust, and atmospheric transport, along with two additional sectors. Recorded exposure routes for this compound include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
Synonyms
ValueSource
2,2,3,3,4,4,5,5,5-Nonafluoropentanoic acidChEBI
Nonafluoro-1-pentanoic acidChEBI
Perfluorovaleric acidChEBI
2,2,3,3,4,4,5,5,5-NonafluoropentanoateGenerator
Nonafluoro-1-pentanoateGenerator
PerfluorovalerateGenerator
PerfluoropentanoateGenerator
Chemical FormulaC5HF9O2
Average Molecular Mass264.047 g/mol
Monoisotopic Mass263.983 g/mol
CAS Registry Number2706-90-3
IUPAC Namenonafluoropentanoic acid
Traditional Namenonafluoropentanoic acid
SMILESOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChI KeyCXZGQIAOTKWCDB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
KingdomOrganic compounds
Super ClassOrganohalogen compounds
ClassAlkyl halides
Sub ClassAlkyl fluorides
Direct ParentPerfluoroalkyl carboxylic acid and derivatives
Alternative Parents
Substituents
  • Perfluoroalkyl carboxylic acid or derivatives
  • Halogenated fatty acid
  • Fatty acyl
  • Fatty acid
  • Alpha-halocarboxylic acid
  • Alpha-halocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Organofluoride
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.029 g/LALOGPS
logP2.93ALOGPS
logP3.01ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)0.34ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area37.3 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity27.66 m³·mol⁻¹ChemAxon
Polarizability12.03 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00kf-4950000000-4a2ffcef238795892b15Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-d2c7eecc9779a84dafedNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-5df85a4fddefc92f99fdNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-fd4114ee5063f5c37a9bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-bdaf054ca424e0ee8d3dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-3ef7f80e8b5f7bcb1552Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-37388e20bda94bb654f1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-3792a299c628b980fb99Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-f96e878821f63ae228f5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-7ce16ab0ac46d10e9521Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fdo-9780000000-11df4f65efa053c5c7e1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03xr-0090000000-0769380c4224abe30782Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0090000000-763b4152b694380d7a79Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-0590000000-ce17a3d21d3a9f139875Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
871.0 Log mg/kg [490:1500]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
leukemiaAssociated With?increaseA cancer that affects the blood or bone marrow characterized by an abnormal proliferation of blood cells. (DO)PMC12069088
hyperactivityAssociated With?Not AvailableA condition characterized by increased movement, impulsive actions, and a shorter attention span, and being easily distracted.PMC8819378
respiratory system cancerAssociated With?Not AvailableNot AvailablePMC12069088
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 managementPMC12375026 , PMC11728705
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC10116195 , PMC12339656
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC6572331 , PMC7069980
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 supplyPMC10720226 , PMC13110237
CEDs000116Tap water?Tap water can be a potential source of synthetic chemical contamination due to various industrial processes and agricultural runoff.Drinking water & water supplyPMC11925052
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
CEDs000464Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.Waste management, landfill & incinerationPMC11618979 , PMC13085802
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 & biosolidsPMC9878729
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
CEDs000494Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.Food, food processing & cookwareNot Available
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
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
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
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
CEDs000536Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines?Superconductive or hyperconductive conductors, including cables and transmission lines, are materials that exhibit zero electrical resistance under specific conditions, typically at low temperatures.Electrical & Electronic EquipmentPubChem
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
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
CEDs000634Buckles?Buckles, commonly used as fasteners in clothing, accessories, and furniture, can be a source of synthetic chemical contamination due to the materials and coatings employed in their production.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
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
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
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
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
CEDs01153Breast MilkFood, food processing & cookwarePMC10882966
CEDs01157FoodsFood, food processing & cookwarePMC10766788
CEDs01170EggsFood, food processing & cookwarePMC13337144
CEDs01185Apple JuiceFood, food processing & cookwarePMC13337144
CEDs01191CoffeeFood, food processing & cookwarePMC13337144
CEDs01232Food SimulantsFood, food processing & cookwarePMC12348458
CEDs01263Food SourcesFood, food processing & cookwarePMC10720226
CEDs02132Landfill LeachatesWaste management, landfill & incinerationPMC13424232
CEDs02224Well WaterDrinking water & water supplyPMC13195896
CEDs02255WaterAquatic systems & sedimentsPMC6572331 , PMC13110237
CEDs02264SedimentAquatic systems & sedimentsPMC11231300 , PMC13030133
CEDs02265River WaterAquatic systems & sedimentsPMC10130131 , PMC10130131
CEDs02289StreamAquatic systems & sedimentsPMC9878729
CEDs02294Pore WaterAquatic systems & sedimentsPMC7069980
CEDs02319Lake WaterAquatic systems & sedimentsPMC6572331
CEDs02340Water BodyAquatic systems & sedimentsPMC12183543
CEDs02427Lake ChaohuAquatic systems & sedimentsPMC6572331
CEDs02560Weihe RiverAquatic systems & sedimentsPMC12846284
CEDs02564Elbe riverAquatic systems & sedimentsPMC13195463
CEDs02589AirAir, dust & atmospheric transportPMC12901172
CEDs02605Particulate MatterAir, dust & atmospheric transportPMC12901172
CEDs02625Dust SamplesAir, dust & atmospheric transportPMC9730836
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC13488393
CEDs03051Sewage PlantWastewater, sanitation & biosolidsPMC10601079
CEDs03169Consumer ProductsHousehold cleaning & consumer productsPMC9878729
CEDs03294Runoff WaterAutomotive & urban infrastructurePMC12183543
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.214 Low confidence
Statistical Significance
0.793
Supporting Reference Compounds
553
E-value
6173.83
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.188 Low confidence
Statistical Significance
3.60e-04
Supporting Reference Compounds
1
E-value
2.80257
Histone deacetylase 7 structureClick to view 3D structureHistone deacetylase 7Q8WUI4HumansPredicted (SEA)
Prediction Confidence Score
0.183
Applicability Domain
0.22 Low confidence
Statistical Significance
0.644
Supporting Reference Compounds
148
E-value
5013.72
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0064
Supporting Reference Compounds
2
E-value
50.057
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.194 Low confidence
Statistical Significance
0.2122
Supporting Reference Compounds
55
E-value
1652.19
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.194 Low confidence
Statistical Significance
0.1713
Supporting Reference Compounds
40
E-value
1333.71
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.22 Low confidence
Statistical Significance
0.8593
Supporting Reference Compounds
317
E-value
6689.74
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0686
Supporting Reference Compounds
20
E-value
534.124
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.194 Low confidence
Statistical Significance
0.6957
Supporting Reference Compounds
106
E-value
5416.28
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.194 Low confidence
Statistical Significance
0.0074
Supporting Reference Compounds
4
E-value
57.4527
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.22 Low confidence
Statistical Significance
0.9344
Supporting Reference Compounds
497
E-value
7274.0
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.171 Low confidence
Statistical Significance
0.0083
Supporting Reference Compounds
2
E-value
64.8484
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.229 Low confidence
Statistical Significance
0.8847
Supporting Reference Compounds
472
E-value
6887.24
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.229 Low confidence
Statistical Significance
0.8495
Supporting Reference Compounds
407
E-value
6613.52
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.179 Low confidence
Statistical Significance
0.0062
Supporting Reference Compounds
6
E-value
48.2665
Click to view 3D structureFumarate hydratase, mitochondrialP10173Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
4.00e-04
Supporting Reference Compounds
1
E-value
3.11397
Click to view 3D structureUtrophinE9Q6R7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.163 Low confidence
Statistical Significance
0.2773
Supporting Reference Compounds
1
E-value
2158.84
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.235 Low confidence
Statistical Significance
0.8873
Supporting Reference Compounds
372
E-value
6907.25
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.179 Low confidence
Statistical Significance
0.8184
Supporting Reference Compounds
127
E-value
6370.95
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.162 Low confidence
Statistical Significance
0.004
Supporting Reference Compounds
1
E-value
31.4511
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.158 Low confidence
Statistical Significance
0.006
Supporting Reference Compounds
1
E-value
46.476
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.188 Low confidence
Statistical Significance
0.878
Supporting Reference Compounds
242
E-value
6835.01
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.179 Low confidence
Statistical Significance
0.9222
Supporting Reference Compounds
192
E-value
7179.02
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.286 Low confidence
Statistical Significance
0.007
Supporting Reference Compounds
11
E-value
54.8837
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.211
Applicability Domain
0.211 Low confidence
Statistical Significance
0.0501
Supporting Reference Compounds
1
E-value
389.791
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0256331
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 ID68426
ChEBI ID83491
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available