[3-[2,3-bis(16-methylheptadecanoyloxy)propoxy]-2-hydroxypropyl] 16-methylheptadecanoate (CED0095626)

Record Information
Version1.0
Creation Date2026-08-23 03:09:52 UTC
Update Date2026-08-23 03:09:52 UTC
Accession NumberCHEM226344
Identification
Common Name[3-[2,3-bis(16-methylheptadecanoyloxy)propoxy]-2-hydroxypropyl] 16-methylheptadecanoate
ClassSmall Molecule
Description
[3-[2,3-bis(16-methylheptadecanoyloxy)propoxy]-2-hydroxypropyl] 16-methylheptadecanoate belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. It has the chemical formula C60H116O8. With an average molecular weight of 965.60 g/mol, [3-[2,3-bis(16-methylheptadecanoyloxy)propoxy]-2-hydroxypropyl] 16-methylheptadecanoate is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC60H116O8
Average Molecular Mass965.600 g/mol
Monoisotopic Mass964.867 g/mol
CAS Registry Number120486-24-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C60H116O8/c1-53(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-58(62)66-50-56(61)49-65-51-57(68-60(64)48-42-36-30-24-18-12-9-15-21-27-33-39-45-55(5)6)52-67-59(63)47-41-35-29-23-17-11-8-14-20-26-32-38-44-54(3)4/h53-57,61H,7-52H2,1-6H3
InChI KeyOWRMXHRUFYLLQP-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
10701.0Log mg/kg[6000:19000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureProtein kinase C alpha typeP04409Bos taurusPredicted (SEA)0.778492
Click to view 3D structureDiacylglycerol lipase-alphaQ9Y4D2HumansPredicted (SEA)65.7047
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)488.582
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)12.5337
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)2.02408
Click to view 3D structureG protein-coupled receptor 34aQ6XCC7Danio rerioPredicted (SEA)5.13805
Click to view 3D structureG protein-coupled receptor 34bB0S6P9Danio rerioPredicted (SEA)5.13805
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)565.185
Protein kinase C epsilon type structureClick to view 3D structureProtein kinase C epsilon typeQ02156HumansPredicted (SEA)681.959
Click to view 3D structureToll-like receptor 2Q9QUN7Mus musculusPredicted (SEA)30.984
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)444.286
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)42.35
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)3.65891
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)1.55698
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)1.94623
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)1.63483
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)1.79053
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)2.95827
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)1.79053
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)1.32344
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)1.47914
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)1.71268
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)2.80257
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)153.363
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)6.22794
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available