2-[2-(2-docosanoyloxyethoxy)ethoxy]ethyl docosanoate (CED0309080)

Record Information

Version

1.0

Creation Date

2026-09-01 06:42:30 UTC

Update Date

2026-09-01 06:42:30 UTC

SynCED ID

CED0309080

Secondary Accession Numbers

CHEM354756

Identification

Common Name

2-[2-(2-docosanoyloxyethoxy)ethoxy]ethyl docosanoate

Class

Small Molecule

Description

2-[2-(2-docosanoyloxyethoxy)ethoxy]ethyl docosanoate is a chemical compound with the formula C50H98O6. With an average molecular weight of 795.30 g/mol, 2-[2-(2-docosanoyloxyethoxy)ethoxy]ethyl docosanoate is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₀H₉₈O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

794.736 g/mol

CAS Registry Number

88580-05-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI Identifier

InChI=1S/C50H98O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(51)55-47-45-53-43-44-54-46-48-56-50(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3

InChI Key

RXJWAZRJMISPGN-UHFFFAOYSA-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
10347.0 Log mg/kg [5800:18000]	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

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	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.432 Applicability Domain 0.464 Statistical Significance 0.0014 Supporting Reference Compounds 197 E-value 10.8989
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.432 Applicability Domain 0.464 Statistical Significance 0.0019 Supporting Reference Compounds 127 E-value 15.1027
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.425 Applicability Domain 0.439 Statistical Significance 6.10e-04 Supporting Reference Compounds 40 E-value 4.7488
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.425 Applicability Domain 0.439 Statistical Significance 2.60e-04 Supporting Reference Compounds 21 E-value 2.02408
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.419 Applicability Domain 0.439 Statistical Significance 2.80e-04 Supporting Reference Compounds 31 E-value 2.17978
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.417 Applicability Domain 0.429 Statistical Significance 2.40e-04 Supporting Reference Compounds 30 E-value 1.86838
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.413 Applicability Domain 0.464 Statistical Significance 8.10e-04 Supporting Reference Compounds 21 E-value 6.30579
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.409 Applicability Domain 0.464 Statistical Significance 0.0017 Supporting Reference Compounds 89 E-value 13.0787
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.404 Applicability Domain 0.452 Statistical Significance 1.10e-04 Supporting Reference Compounds 40 E-value 0.856341
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.4 Applicability Domain 0.4 Statistical Significance 2.60e-04 Supporting Reference Compounds 1 E-value 2.02408
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 0.394 Applicability Domain 0.394 Statistical Significance 1.30e-04 Supporting Reference Compounds 1 E-value 1.01204
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.386 Applicability Domain 0.464 Statistical Significance 0.004 Supporting Reference Compounds 192 E-value 31.3732
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 0.452 Statistical Significance 0.0028 Supporting Reference Compounds 106 E-value 21.7978
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.452 Statistical Significance 7.00e-05 Supporting Reference Compounds 2 E-value 0.544945
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.383 Applicability Domain 0.464 Statistical Significance 4.90e-04 Supporting Reference Compounds 15 E-value 3.81461
Click to view 3D structure	Mitochondrial carnitine/acylcarnitine carrier protein	O43772	Humans	Predicted (SEA)	Prediction Confidence Score 0.381 Applicability Domain 0.381 Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q99677	Humans	Predicted (SEA)	Prediction Confidence Score 0.373 Applicability Domain 0.429 Statistical Significance 1.40e-04 Supporting Reference Compounds 9 E-value 1.08989
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.372 Applicability Domain 0.392 Statistical Significance 3.30e-04 Supporting Reference Compounds 10 E-value 2.56902
Click to view 3D structure	Lysophosphatidic acid receptor 6	P43657	Humans	Predicted (SEA)	Prediction Confidence Score 0.371 Applicability Domain 0.429 Statistical Significance 1.50e-04 Supporting Reference Compounds 3 E-value 1.16774
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.37 Applicability Domain 0.452 Statistical Significance 9.50e-04 Supporting Reference Compounds 55 E-value 7.39568
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.368 Statistical Significance 0.001 Supporting Reference Compounds 1 E-value 7.94062
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.452 Statistical Significance 0.0025 Supporting Reference Compounds 102 E-value 19.3066
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9UPC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.392 Statistical Significance 2.50e-04 Supporting Reference Compounds 11 E-value 1.94623
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.362 Applicability Domain 0.452 Statistical Significance 8.00e-05 Supporting Reference Compounds 4 E-value 0.622794
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.362 Applicability Domain 0.464 Statistical Significance 0.0051 Supporting Reference Compounds 149 E-value 39.6253