Multiple H-substituted, multiple ether-substituted perfluoroalkyl alcohols (HOPAs n=7 m=16) (CED0091858)

Record Information
Version1.0
Creation Date2026-04-05 15:14:02 UTC
Update Date2026-09-01 04:09:31 UTC
SynCED IDCED0091858
Secondary Accession Numbers
  • CHEM104224
Identification
Common NameMultiple H-substituted, multiple ether-substituted perfluoroalkyl alcohols (HOPAs n=7 m=16)
ClassSmall Molecule
Description
Multiple H-substituted, multiple ether-substituted perfluoroalkyl alcohols (HOPAs n=7 m=16) belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C46H65F29O16. With an average molecular weight of 1,425 g/mol, Multiple H-substituted, multiple ether-substituted perfluoroalkyl alcohols (HOPAs n=7 m=16) is a heavy molecule. The compound is associated with 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is found in or released from cell phones, capacitors, wires and cables, batteries, printed circuit boards, and one additional source. It is present in textiles, leather and furnishings, specifically within carpets, rugs, and synthetic textiles. Within the food, food processing and cookware sector, it is linked to food packaging. Other sources include medical devices from the healthcare, pharmaceuticals and veterinary products sector, as well as lubricants used in industrial manufacturing, chemical processing, and the energy, oil and gas sectors. One additional sector is also recorded as a source. Recorded exposure routes for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC46H65F29O16
Average Molecular MassNot Available
Monoisotopic Mass1424.381 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI IdentifierInChI=1S/C46H65F29O16/c47-33(48,34(49,50)35(51,52)36(53,54)37(55,56)38(57,58)39(59,60)40(61,62)41(63,64)42(65,66)43(67,68)44(69,70)45(71,72)46(73,74)75)1-3-77-5-7-79-9-11-81-13-15-83-17-19-85-21-23-87-25-27-89-29-31-91-32-30-90-28-26-88-24-22-86-20-18-84-16-14-82-12-10-80-8-6-78-4-2-76/h76H,1-32H2
InChI KeyULWLMQBVISMWHM-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
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 PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot 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 EffectRelationshipDirectionReference
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
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
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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureNon-lysosomal glucosylceramidaseQ9HCG7HumansPredicted (SEA)
Prediction Confidence Score
0.131
Applicability Domain
0.132 Low confidence
Statistical Significance
0.1653
Supporting Reference Compounds
21
E-value
1286.77
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.13
Applicability Domain
0.13 Low confidence
Statistical Significance
0.0158
Supporting Reference Compounds
1
E-value
122.69
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9797
Supporting Reference Compounds
203
E-value
7627.2
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.128
Applicability Domain
0.145 Low confidence
Statistical Significance
0.9985
Supporting Reference Compounds
553
E-value
7773.48
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.128
Applicability Domain
0.128 Low confidence
Statistical Significance
0.0237
Supporting Reference Compounds
1
E-value
184.814
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.173 Low confidence
Statistical Significance
0.974
Supporting Reference Compounds
102
E-value
7582.83
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9936
Supporting Reference Compounds
201
E-value
7735.49
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
1498
E-value
7779.01
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.127 Low confidence
Statistical Significance
0.0362
Supporting Reference Compounds
1
E-value
282.126
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9984
Supporting Reference Compounds
593
E-value
7772.7
Click to view 3D structureCeramide glucosyltransferaseO88693Mus musculusPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.132 Low confidence
Statistical Significance
0.3509
Supporting Reference Compounds
14
E-value
2731.42
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9983
Supporting Reference Compounds
385
E-value
7771.53
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0099
Supporting Reference Compounds
2
E-value
77.3821
Click to view 3D structureUridine phosphorylase 1P52624Mus musculusPredicted (SEA)
Prediction Confidence Score
0.153
Applicability Domain
0.167 Low confidence
Statistical Significance
0.1007
Supporting Reference Compounds
2
E-value
783.708
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.151
Applicability Domain
0.19 Low confidence
Statistical Significance
0.5145
Supporting Reference Compounds
40
E-value
4005.73
Click to view 3D structurePhenylalanine--tRNA ligase alpha subunitQ97S36Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)Predicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.15 Low confidence
Statistical Significance
0.053
Supporting Reference Compounds
1
E-value
412.367
Click to view 3D structurePhenylalanine--tRNA ligase alpha subunitP43819Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)Predicted (SEA)
Prediction Confidence Score
0.15
Applicability Domain
0.15 Low confidence
Statistical Significance
0.053
Supporting Reference Compounds
1
E-value
412.367
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.149
Applicability Domain
0.19 Low confidence
Statistical Significance
0.262
Supporting Reference Compounds
20
E-value
2039.34
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.19 Low confidence
Statistical Significance
0.0163
Supporting Reference Compounds
4
E-value
127.283
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.142
Applicability Domain
0.15 Low confidence
Statistical Significance
0.0178
Supporting Reference Compounds
2
E-value
138.338
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.141
Applicability Domain
0.15 Low confidence
Statistical Significance
0.6587
Supporting Reference Compounds
55
E-value
5127.62
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.14
Applicability Domain
0.15 Low confidence
Statistical Significance
0.9602
Supporting Reference Compounds
106
E-value
7475.08
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.149 Low confidence
Statistical Significance
0.3503
Supporting Reference Compounds
11
E-value
2726.98
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9969
Supporting Reference Compounds
506
E-value
7761.18
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.132
Applicability Domain
0.133 Low confidence
Statistical Significance
0.0247
Supporting Reference Compounds
6
E-value
192.132
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available