4-heptadec-8-enylidene-3-hexadec-7-enyloxetan-2-one (CED0304521)

Record Information
Version1.0
Creation Date2026-08-31 21:39:30 UTC
Update Date2026-08-31 21:39:30 UTC
Accession NumberCHEM350132
Identification
Common Name4-heptadec-8-enylidene-3-hexadec-7-enyloxetan-2-one
ClassSmall Molecule
Description
4-heptadec-8-enylidene-3-hexadec-7-enyloxetan-2-one is a chemical compound with the formula C36H64O2. With an average molecular weight of 528.90 g/mol, 4-heptadec-8-enylidene-3-hexadec-7-enyloxetan-2-one is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC36H64O2
Average Molecular MassNot Available
Monoisotopic Mass528.491 g/mol
CAS Registry Number56000-16-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCC=CCCCCCCC=C1C(C(=O)O1)CCCCCCC=CCCCCCCCC
InChI IdentifierInChI=1S/C36H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33-34H,3-16,21-32H2,1-2H3
InChI KeyYOZPNLKELYIIKS-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
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
5939.0Log mg/kg[3300:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
740PaperPaper, pulp & fiber productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)54.4945
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)41.7272
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)30.984
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)11.8331
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)61.968
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)9.57545
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)6.38364
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)39.5474
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)57.1413
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)135.458
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)3.11397
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)114.516
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)75.7473
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 structureClick to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)7.23998
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)100.27
Click to view 3D structureLysophosphatidic acid receptor 3Q8K5E0Rattus norvegicusPredicted (SEA)0.934191
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)27.0915
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)58.3869
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)77.8492
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1O35433Rattus norvegicusPredicted (SEA)22.187
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)48.1887
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)18.8395
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)15.8812
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)12.3002
Click to view 3D structurePotassium channel subfamily K member 2Q920B6Rattus norvegicusPredicted (SEA)3.65891
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available