Glycerol tritetradecanoate (CED0000416)

Record Information
Version1.0
Creation Date2016-05-25 22:01:58 UTC
Update Date2026-08-22 14:56:54 UTC
Accession NumberCHEM024945
Identification
Common NameGlycerol tritetradecanoate
ClassSmall Molecule
Description
Glycerol tritetradecanoate belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 723.16 g/mol, Glycerol tritetradecanoate is a heavy molecule. It is characterized by the chemical formula C45H86O6. In industrial applications, this compound is utilized as a viscosity modifier, as well as a softener and conditioner. Glycerol tritetradecanoate is found in or released from 19 recorded sources. Within the category of electrical and electronic equipment, it is associated with electrodes, electric switches, communication cables or conductors, conductive bodies characterized by the conductive materials, and electrically stimulated smoking devices. It is also present in household cleaning and consumer products, including pipe accessories, non electric simulated smoking devices, cigar cigarettes, bleaching agents, and perfumes within detergents and soaps. Additionally, the compound is linked to food, food processing and cookware, specifically in the areas of food preservation, processing meats, and fermentation processes for beer.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,2,3-Propanetriol tritetradecanoateChEBI
1,2,3-TrimyristoylglycerolChEBI
1,2,3-TritetradecanoylglycerolChEBI
Glycerol trimyristateChEBI
Glyceryl trimyristateChEBI
Glyceryl tritetradecanoateChEBI
Myristic acid triglycerideChEBI
Myristic triglycerideChEBI
MyristinChEBI
TAG(14:0/14:0/14:0)ChEBI
TAG(42:0)ChEBI
Tetradecanoic acid, 1,2,3-propanetriyl esterChEBI
TG 14:0/14:0/14:0ChEBI
TG(42:0)ChEBI
Tracylglycerol(14:0/14:0/14:0)ChEBI
Tracylglycerol(42:0)ChEBI
TrimyristoylglycerolChEBI
TritetradecanoylglycerolChEBI
1,2,3-Propanetriol tritetradecanoic acidGenerator
Glycerol trimyristic acidGenerator
Glyceryl trimyristic acidGenerator
Glyceryl tritetradecanoic acidGenerator
Myristate triglycerideGenerator
Tetradecanoate, 1,2,3-propanetriyl esterGenerator
1,2,3-Tritetradecanoyl-rac-glycerolHMDB
1-Myristoyl-2-myristoyl-3-myristoyl-glycerolHMDB
1-Tetradecanoyl-2-tetradecanoyl-3-tetradecanoyl-glycerolHMDB
2,3-Bis(tetradecanoyloxy)propyl myristateHMDB
Dynasan 114HMDB
Glycerol tritetradecanoateHMDB
Myristin, tri- (8ci)HMDB
Tetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) esterHMDB
Tri-myristinHMDB
TriacylglycerolHMDB
TriglycerideHMDB
TrimyristinHMDB
TG(14:0/14:0/14:0)Lipid Annotator, ChEBI
Chemical FormulaC45H86O6
Average Molecular Mass723.161 g/mol
Monoisotopic Mass722.642 g/mol
CAS Registry Number555-45-3
IUPAC Name1,3-bis(tetradecanoyloxy)propan-2-yl tetradecanoate
Traditional Nametrimyristin
SMILESCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI IdentifierInChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
InChI KeyDUXYWXYOBMKGIN-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 Solubility1.3e-05 g/LALOGPS
logP10.31ALOGPS
logP16.26ChemAxon
logS-7.7ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 ŲChemAxon
Rotatable Bond Count44ChemAxon
Refractivity213.68 m³·mol⁻¹ChemAxon
Polarizability96.81 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 Spectrumsplash10-01ot-3192600000-544e33d6694aa5ccf3e5Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-01ot-3192600000-544e33d6694aa5ccf3e5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000000900-396577773223fda3ba4fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000000900-396577773223fda3ba4fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006t-0000900700-9dda28d1e6f293f607a5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000000900-487bf2cf36214179ac31Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000000900-487bf2cf36214179ac31Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000000900-487bf2cf36214179ac31Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00fr-0070510900-dfb0ad823350a6dc3139Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pxs-0090200000-e06b0c234354638d5127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-0290100000-ae1db544e278fbf885f9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0000000900-ef55c4ed517a7cf683c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-0000000900-ef55c4ed517a7cf683c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0uii-0090090900-07e83a6429c414defd46Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-5020305900-6df82ce747d12f594b5bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08g0-9151317100-81a3f1d03a780081c9c2Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0909-2392110000-70fab857e040f8a773ccNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000000900-c83d51e3f6cbcd42c11eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-0000000900-c83d51e3f6cbcd42c11eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006t-0010900700-60e08461be3e70355fa4Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, predicted)Not AvailableNot 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
13200.0Log mg/kg[7400:23000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
490Personal care & cosmeticsNot Available
510Communication Cables Or ConductorsElectrical & 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
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
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
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold 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
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
642FootwearTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
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
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
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0042061
FooDB IDFDB002889
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID10675
ChEBI ID77391
PubChem Compound ID11148
Kegg Compound IDNot Available
YMDB IDYMDB00825
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
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