Hexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate (CED0304533)

Record Information
Version1.0
Creation Date2026-08-31 21:40:23 UTC
Update Date2026-08-31 21:40:23 UTC
Accession NumberCHEM350144
Identification
Common NameHexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate
ClassSmall Molecule
Description
Hexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate is a chemical compound with the formula C36H68O4. With an average molecular weight of 564.90 g/mol, Hexadecyl (z,12r)-12-acetyloxyoctadec-9-enoate is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC36H68O4
Average Molecular MassNot Available
Monoisotopic Mass564.512 g/mol
CAS Registry Number111129-38-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)OC(=O)C
InChI IdentifierInChI=1S/C36H68O4/c1-4-6-8-10-11-12-13-14-15-16-19-22-25-29-33-39-36(38)32-28-24-21-18-17-20-23-27-31-35(40-34(3)37)30-26-9-7-5-2/h23,27,35H,4-22,24-26,28-33H2,1-3H3/b27-23-/t35-/m1/s1
InChI KeyRGNVKHVOMYVFJE-JCZPVMMZSA-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
11554.0Log mg/kg[6500:21000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
696NanotechnologyIndustrial manufacturing & chemical processingNot 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)0.934191
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)2.10193
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)2.25763
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)2.17978
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)5.60514
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)1.86838
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)27.87
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)23.5105
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)17.4382
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)21.0971
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)1.08989
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)1.79053
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)8.32987
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)38.3797
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)34.4094
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)22.8098
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)38.0683
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)27.0137
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)1.40129
Platelet glycoprotein 4 structureClick to view 3D structurePlatelet glycoprotein 4P16671HumansPredicted (SEA)1.16774
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)35.2657
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)1.40129
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)17.3604
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)5.52729
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)1.47914
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available