(11S)-11-hydroperoxylinoleic acid (CED0070523)

Record Information

Version

1.0

Creation Date

2026-04-06 09:14:03 UTC

Update Date

2026-05-21 09:52:00 UTC

SynCED ID

CED0070523

Secondary Accession Numbers

CHEM121319

Identification

Common Name

(11S)-11-hydroperoxylinoleic acid

Class

Small Molecule

Description

(11S)-11-hydroperoxylinoleic acid belongs to the lineolic acids and derivatives, a subclass of fatty acyls within the organic compounds. This compound is categorized as part of the lipids and lipid-like molecules superclass. It has been found in or released from 13 recorded sources spanning multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the sector of textiles, leather and furnishings, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector. Furthermore, it is linked to medical devices in the healthcare, pharmaceuticals and veterinary products sector. The compound is identified in lubricants used in both energy, oil and gas, as well as industrial manufacturing and chemical processing. One additional sector is also recorded. Exposure to (11S)-11-hydroperoxylinoleic acid occurs through the recorded routes of inhalation, oral intake, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

Not Available

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)/b14-11-,15-12-/t17-/m0/s1

InChI Key

PLWDMWAXENHPLY-PDBSFCERSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-002f-9750000000-0218bff293abff2362c8	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-009i-9543000000-3e6d4d53f4c1cb7f61c3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0192000000-9d868daca44a20cb7245	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0frt-7591000000-1ebb147af324754835f8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052g-9420000000-93814a28b5aa786d007e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0049000000-feb6ca9a55b6aadce247	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01oy-2393000000-3e2c018aebc95d6958b8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4m-9530000000-c29f39797afd88dce744	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03fr-1492000000-b3aad53e9d0c9cbd671b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ta-4940000000-b9b5e7d58c93a32acb01	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05al-9600000000-1ee2f7ec09e8655335ac	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0029000000-2cef4dfdbf17a93b9ec6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01tc-1192000000-7fedbab0e18c8bcb322d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0096-2890000000-124d0762ff6e005a887d	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5143.0 Log mg/kg [2900:9100]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed 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 Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?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 Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets 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 & furnishings	Not Available
CEDs000454	Synthetic 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 & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.625 Applicability Domain 0.667 Statistical Significance 1.40e-04 Supporting Reference Compounds 192 E-value 1.08989
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.619 Applicability Domain 0.667 Statistical Significance 2.20e-04 Supporting Reference Compounds 127 E-value 1.71268
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.619 Applicability Domain 0.667 Statistical Significance 1.70e-04 Supporting Reference Compounds 89 E-value 1.32344
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.585 Applicability Domain 0.667 Statistical Significance 3.00e-04 Supporting Reference Compounds 197 E-value 2.33548
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.551 Applicability Domain 0.667 Statistical Significance 2.10e-04 Supporting Reference Compounds 21 E-value 1.63483
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.498 Applicability Domain 0.667 Statistical Significance 5.00e-05 Supporting Reference Compounds 19 E-value 0.389246
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.443 Applicability Domain 0.611 Statistical Significance 3.90e-04 Supporting Reference Compounds 63 E-value 3.03612
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.436 Applicability Domain 0.611 Statistical Significance 7.40e-04 Supporting Reference Compounds 56 E-value 5.76084
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.436 Applicability Domain 0.667 Statistical Significance 0.0015 Supporting Reference Compounds 106 E-value 11.6774
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.412 Applicability Domain 0.486 Statistical Significance 0.0021 Supporting Reference Compounds 83 E-value 16.1148
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.397 Applicability Domain 0.531 Statistical Significance 3.80e-04 Supporting Reference Compounds 15 E-value 2.95827
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.397 Applicability Domain 0.531 Statistical Significance 0.0024 Supporting Reference Compounds 149 E-value 18.606
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.392 Statistical Significance 2.90e-04 Supporting Reference Compounds 1 E-value 2.25763
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.392 Applicability Domain 0.409 Statistical Significance 0.0033 Supporting Reference Compounds 200 E-value 25.6902
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.39 Applicability Domain 0.409 Statistical Significance 0.003 Supporting Reference Compounds 175 E-value 23.5105
Click to view 3D structure	Oxoeicosanoid receptor 1	Q8TDS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.611 Statistical Significance 1.30e-04 Supporting Reference Compounds 4 E-value 1.01204
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.409 Statistical Significance 0.0019 Supporting Reference Compounds 104 E-value 15.0249
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.379 Applicability Domain 0.392 Statistical Significance 3.80e-04 Supporting Reference Compounds 21 E-value 2.95827
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q9EPT5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.359 Applicability Domain 0.368 Statistical Significance 1.20e-04 Supporting Reference Compounds 2 E-value 0.934191
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.383 Statistical Significance 0.0018 Supporting Reference Compounds 39 E-value 13.8572
Click to view 3D structure	Solute carrier organic anion transporter family member 2B1	Q9JHI3	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.368 Statistical Significance 9.00e-05 Supporting Reference Compounds 2 E-value 0.700643
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.392 Statistical Significance 5.30e-04 Supporting Reference Compounds 31 E-value 4.12601
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.352 Applicability Domain 0.392 Statistical Significance 5.20e-04 Supporting Reference Compounds 30 E-value 4.04816
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	Prediction Confidence Score 0.35 Applicability Domain 0.35 Statistical Significance 2.20e-04 Supporting Reference Compounds 1 E-value 1.71268
Click to view 3D structure	Nuclear receptor subfamily 4 group A member 2	Q07917	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.349 Applicability Domain 0.357 Statistical Significance 1.30e-04 Supporting Reference Compounds 3 E-value 1.01204