Tripalmitin (CED0007655)

Record Information
Version1.0
Creation Date2016-05-22 05:32:23 UTC
Update Date2026-04-02 23:08:34 UTC
Accession NumberCHEM018795
Identification
Common NameTripalmitin
ClassSmall Molecule
Description
Tripalmitin is a chemical compound with the formula C51H98O6. Tripalmitin belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 807.32 g/mol, Tripalmitin is a heavy molecule. In industrial applications, this compound is utilized as a viscosity modifier, as well as a softener and conditioner. Tripalmitin is found in or released from 22 recorded sources. Within the category of electrical and electronic equipment, it is associated with electrodes, amplifiers, electric switches, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, among four other sources. In the realm of household cleaning and consumer products, it appears in bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, along with two additional sources. Furthermore, it is present in food, food processing and cookware, specifically in food contact materials, food preservation, the preparation of malt, the preparation of vinegar, and fermentation processes for beer, plus one other source. Recorded routes of exposure for this compound include touch, oral, and inhalation.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,2,3-Propanetriol trihexadecanoateChEBI
1,2,3-Propanetriyl trihexadecanoateChEBI
1,2,3-TrihexadecanoylglycerolChEBI
Glycerin tripalmitateChEBI
Glycerol tripalmitateChEBI
Glyceryl trihexadecanoateChEBI
Glyceryl tripalmitateChEBI
Hexadecanoic acid, 1,2,3-propanetriyl esterChEBI
Palmitic acid triglycerin esterChEBI
Palmitic triglycerideChEBI
TG 16:0/16:0/16:0ChEBI
Triglyceryl palmitateChEBI
TrihexadecanoylglycerolChEBI
TripalmitoylglycerolChEBI
1,2,3-Propanetriol trihexadecanoic acidGenerator
1,2,3-Propanetriyl trihexadecanoic acidGenerator
Glycerin tripalmitic acidGenerator
Glycerol tripalmitic acidGenerator
Glyceryl trihexadecanoic acidGenerator
Glyceryl tripalmitic acidGenerator
Hexadecanoate, 1,2,3-propanetriyl esterGenerator
Palmitate triglycerin esterGenerator
Triglyceryl palmitic acidGenerator
Glycero-tripalmitateMeSH
Tripalmitoyl glycerolMeSH
TripalmitylglycerolMeSH
1-palmitoyl-2-palmitoyl-3-palmitoyl-glycerolLipid Annotator, HMDB
TG(16:0/16:0/16:0)Lipid Annotator, ChEBI
TG(48:0)Lipid Annotator, HMDB
TriglycerideLipid Annotator, HMDB
Tracylglycerol(48:0)Lipid Annotator, HMDB
TAG(16:0/16:0/16:0)Lipid Annotator, HMDB
Tracylglycerol(16:0/16:0/16:0)Lipid Annotator, HMDB
TAG(48:0)Lipid Annotator, HMDB
1-hexadecanoyl-2-hexadecanoyl-3-hexadecanoyl-glycerolLipid Annotator, HMDB
TriacylglycerolLipid Annotator, HMDB
1,2,3-Trihexadecanoyl-sn-glycerolHMDB
Barolub LCDHMDB
Dynasan 116HMDB
Dynosan 114HMDB
Spezialfett 116HMDB
Triglyceride PPPHMDB
TripalmitateHMDB
TripalmitinHMDB
Chemical FormulaC51H98O6
Average Molecular Mass807.320 g/mol
Monoisotopic Mass806.736 g/mol
CAS Registry Number555-44-2
IUPAC Name1,3-bis(hexadecanoyloxy)propan-2-yl hexadecanoate
Traditional Nametripalmitin
SMILESCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI IdentifierInChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChI KeyPVNIQBQSYATKKL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassTriradylcglycerols
Direct ParentTriacylglycerols
Alternative Parents
Substituents
  • Triacyl-sn-glycerol
  • Tricarboxylic acid or derivatives
  • Fatty acid ester
  • Fatty acyl
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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 Properties
PropertyValueSource
Water Solubility1.2e-05 g/LALOGPS
logP10.59ALOGPS
logP18.92ChemAxon
logS-7.8ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 ŲChemAxon
Rotatable Bond Count50ChemAxon
Refractivity241.29 m³·mol⁻¹ChemAxon
Polarizability109.39 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0udr-4266090000-d72def42ee8b15e7d8abNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udi-5255090000-f2b69e4c01f94e964a8eNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udr-4266090000-d72def42ee8b15e7d8abNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udi-5255090000-f2b69e4c01f94e964a8eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udr-4266090000-d72def42ee8b15e7d8abNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-5255090000-08a84d0a82ce5839332eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-b971f7be0932cc17d4fcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0udi-0000090000-ba2f475d5deb56cbcb0fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000090-2dcd9d1c90fb060e2d76Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000090-2dcd9d1c90fb060e2d76Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-0000090070-5e4488c43f4273c179ddNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0070080190-e59a843e2ac9eb401541Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-053r-0090020000-1e6cc9453781ea6f2f0eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a59-1090010000-52dbd7332c4689b8becbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000000090-497b97a123d4ddbee56bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000000090-497b97a123d4ddbee56bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08fr-0090090090-3d1ee4df7694f2a67b63Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0000000090-feacb9716f0cce2e39b9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0000000090-feacb9716f0cce2e39b9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0000000090-feacb9716f0cce2e39b9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000090-c9b5cf0ac5a5011ec584Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0000000090-c9b5cf0ac5a5011ec584Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0zfr-0010090070-13293a79e092976cb1e0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-4130052390-48f5c7a747823dfa0644Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-059i-9150123400-dde2539447879b15fbf1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000l-4496013000-d20d940fe1d4244aa3e7Not AvailableView Spectrum
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
17931.0Log mg/kg[10000:32000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
233BrushesPersonal care & cosmeticsNot Available
490Personal care & cosmeticsNot Available
494Food contact materialsFood, food processing & cookwareNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
641Foam DyeingTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
Pathways
8 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureDNA nucleotidylexotransferaseP06526Bos taurusPredicted (SEA)0.389246
Protein kinase C epsilon type structureClick to view 3D structureProtein kinase C epsilon typeQ02156HumansPredicted (SEA)56.9856
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)0.544945
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)0.311397
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)0.467095
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)0.622794
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)0.0778492
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)0.856341
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)0.544945
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)0.700643
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)14.7914
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)1.79053
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)0.934191
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)16.1926
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)23.4326
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)0.622794
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2O60603HumansPredicted (SEA)0.856341
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)8.09632
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)21.7199
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)1.79053
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)30.5947
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)2.25763
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)1.79053
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)48.2665
DNA-directed DNA/RNA polymerase mu structureClick to view 3D structureDNA-directed DNA/RNA polymerase muQ9NP87HumansPredicted (SEA)0.389246
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0005356
FooDB IDFDB002911
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN ID3857
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID10674
ChEBI ID77393
PubChem Compound ID11147
Kegg Compound IDNot Available
YMDB IDYMDB00809
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Jensen RG, Ferris AM, Lammi-Keefe CJ: The composition of milk fat. J Dairy Sci. 1991 Sep;74(9):3228-43. doi: 10.3168/jds.S0022-0302(91)78509-3.
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=21740098
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=22360498