2,3-bis(2-hydroxyethoxy)propyl (z)-octadec-9-enoate (CED0293807)

Record Information
Version1.0
Creation Date2026-08-31 04:50:25 UTC
Update Date2026-08-31 04:50:25 UTC
Accession NumberCHEM339324
Identification
Common Name2,3-bis(2-hydroxyethoxy)propyl (z)-octadec-9-enoate
ClassSmall Molecule
Description
2,3-bis(2-hydroxyethoxy)propyl (z)-octadec-9-enoate is a chemical compound with the formula C25H48O6. It has an average molecular weight of 444.60 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC25H48O6
Average Molecular MassNot Available
Monoisotopic Mass444.345 g/mol
CAS Registry Number51192-09-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCC=CCCCCCCCC(=O)OCC(COCCO)OCCO
InChI IdentifierInChI=1S/C25H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)31-23-24(30-21-19-27)22-29-20-18-26/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-
InChI KeyVVEAPYVNAFNECM-KTKRTIGZSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5618.0Log mg/kg[3200:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
678Nitrogenous FertilisersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)0.778492
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)1.32344
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)1.40129
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)1.32344
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)3.34752
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)0.700643
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)1.71268
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)14.1686
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)16.8933
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)11.366
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)0.778492
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)9.9647
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)6.61718
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)23.744
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)23.8997
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)1.63483
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)23.5883
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)15.0249
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)21.8756
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)0.700643
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)13.2344
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)27.4029
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)0.856341
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)4.35956
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)1.47914
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available