VITAMIN A PALMITATE (CED0008024)

Record Information
Version1.0
Creation Date2016-05-19 02:30:50 UTC
Update Date2026-04-17 19:12:18 UTC
Accession NumberCHEM007838
Identification
Common NameVITAMIN A PALMITATE
ClassSmall Molecule
Description
VITAMIN A PALMITATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 524.86 g/mol, VITAMIN A PALMITATE is a heavy molecule. Its chemical formula is C36H60O2. In biological contexts, the compound acts as an antioxidant (PMC8698762). Industrial applications for VITAMIN A PALMITATE include its use as a dye, a softener and conditioner, and as a nutrient and flavouring (PMC8698762). The compound is found in or released from 14 recorded sources. Within electrical and electronic equipment, it is associated with amplifiers, antennas, magnets, adjustable resistors, cores yokes or armatures, and one additional source. It is also found in household cleaning and consumer products, specifically soap dispensers, other smoking requisites, pipe accessories, and non electric simulated smoking devices. Additionally, it is recorded in building and construction materials such as floors, in drinking water and water supply, and in food, food processing and cookware, including the treatment of hops and agglomerated sugar products. The recorded exposure route for this compound is oral.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl hexadecanoateChEBI
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8,tetraenyl hexadecanoic acid esterChEBI
AfaxinChEBI
all-trans-Retinol palmitateChEBI
all-trans-Retinyl hexadecanoateChEBI
AlphalinChEBI
Aquasol aChEBI
ArovitChEBI
Chocola aChEBI
O(15)-HexadecanoylretinolChEBI
Optovit-aChEBI
Retinol hexadecanoateChEBI
Retinol palmitateChEBI
Retinyl hexadecanoateChEBI
trans-Retinol palmitateChEBI
trans-Retinyl palmitateChEBI
Vitamin a palmitateChEBI
all-trans-Retinyl palmitateKegg
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl hexadecanoic acidGenerator
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8,tetraenyl hexadecanoate esterGenerator
all-trans-Retinol palmitic acidGenerator
all-trans-Retinyl hexadecanoic acidGenerator
Retinol hexadecanoic acidGenerator
Retinol palmitic acidGenerator
Retinyl hexadecanoic acidGenerator
trans-Retinol palmitic acidGenerator
trans-Retinyl palmitic acidGenerator
Vitamin a palmitic acidGenerator
all-trans-Retinyl palmitic acidGenerator
Retinyl palmitic acidGenerator
all-trans-Vitamin a palmitateHMDB
AquapalmHMDB
Axerophthol palmitateHMDB
Dispatabs tabsHMDB
Ester found in fish liver oilsHMDB
Lutavit a 500 plusHMDB
MyvakHMDB
MyvaxHMDB
Optovit aHMDB
Testavol SHMDB
Vitazyme aHMDB
Chemical FormulaC36H60O2
Average Molecular Mass524.860 g/mol
Monoisotopic Mass524.459 g/mol
CAS Registry Number79-81-2
IUPAC Name(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate
Traditional Namevitamin a palmitate
SMILESCCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI IdentifierInChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
InChI KeyVYGQUTWHTHXGQB-FFHKNEKCSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acid esters
Direct ParentWax monoesters
Alternative Parents
Substituents
  • Wax monoester skeleton
  • Retinoid skeleton
  • Diterpenoid
  • Fatty alcohol ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
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 Solubility8.1e-05 g/LALOGPS
logP10.12ALOGPS
logP11.62ChemAxon
logS-6.8ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 ŲChemAxon
Rotatable Bond Count21ChemAxon
Refractivity171.51 m³·mol⁻¹ChemAxon
Polarizability70.5 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-07vr-6590330000-c4a001ec8772bbd8b673Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00n0-0391040000-4bcb419b1aa363c5a184Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kr-3890000000-13b63fb441c04d797a5aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-053i-4910200000-ec9d8c6e06e67e406eaeNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-0090050000-063ec803b899247ff625Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4r-0090000000-ceacddaa1af7bfe01b93Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052u-2090000000-010cffd7fdb5e0c0ae62Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00or-0970350000-ae98e4da36c7fef49b01Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00kr-1960010000-e463420790c3679b3761Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01b9-3930000000-2209374e0a45d158da93Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0060090000-71bf924b1d2a2be5b8a8Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0090010000-5bffb18764c70498c127Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4l-9870000000-8e1a1ac617c6db688b0bNot 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
6174.0Log mg/kg[3500:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
115Drinking waterDrinking water & water supplyNot Available
490Personal care & cosmeticsNot Available
497FloorsBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
541Agglomerated Sugar ProductsFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
593Nautical InstrumentsMarine, shipping & aquacultureNot Available
601Lawn MowersAgriculture & land managementNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
Pathways
3 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAldehyde dehydrogenase 1A1P27463Gallus gallusPredicted (SEA)0.155698
Click to view 3D structureRetinoic acid receptor alphaP11416Mus musculusPredicted (SEA)0.311397
Click to view 3D structureRetinoic acid receptor gammaP18911Mus musculusPredicted (SEA)0.311397
Click to view 3D structureRetinoic acid receptor betaP22605Mus musculusPredicted (SEA)0.311397
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)4.35956
Click to view 3D structureBeta-lactoglobulinP02754Bos taurusPredicted (SEA)0.155698
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)2.88042
Prosaposin structureClick to view 3D structureProsaposinP07602HumansPredicted (SEA)0.233548
Click to view 3D structureRetinoic acid receptor RXR-alphaP28700Mus musculusPredicted (SEA)1.16774
Click to view 3D structureCellular retinoic acid-binding protein 1P62965Mus musculusPredicted (SEA)0.311397
Click to view 3D structureCellular retinoic acid-binding protein 2P22935Mus musculusPredicted (SEA)0.311397
Click to view 3D structureCellular retinoic acid-binding protein 1P40220Gallus gallusPredicted (SEA)0.233548
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)3.03612
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)5.3716
Retinoic acid receptor RXR-gamma structureClick to view 3D structureRetinoic acid receptor RXR-gammaP48443HumansPredicted (SEA)2.49118
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)22.4206
Retinoic acid receptor RXR-beta structureClick to view 3D structureRetinoic acid receptor RXR-betaP28702HumansPredicted (SEA)2.72472
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)1.55698
Click to view 3D structureRetinoic acid receptor RXR-gammaP28705Mus musculusPredicted (SEA)2.49118
Click to view 3D structureRetinoic acid receptor RXR-betaP28704Mus musculusPredicted (SEA)2.64687
Click to view 3D structureSphingolipid delta(4)-desaturase DES1Q5XIF5Rattus norvegicusPredicted (SEA)0.233548
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)177.652
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)125.882
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)20.0851
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)502.127
Concentrations
Not Available
External Links
DrugBank IDDBSALT000855
HMDB IDHMDB0003648
FooDB IDFDB030671
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDCHOCOLA_A
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkRetinyl_palmitate
Chemspider ID4444162
ChEBI ID17616
PubChem Compound ID5280531
Kegg Compound IDC02588
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=11236082
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=16149731
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=23290361
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=23651513
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=23945125
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=24657715
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=24998947
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=26224426
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=29025343
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=29363259
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=29412915
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=29571474
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=30031321
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=30316701
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=30551390
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=30972178
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=31369745
18. https://www.ncbi.nlm.nih.gov/pubmed/?term=32353979
19. https://www.ncbi.nlm.nih.gov/pubmed/?term=32846153
20. https://www.ncbi.nlm.nih.gov/pubmed/?term=33202630
21. https://www.ncbi.nlm.nih.gov/pubmed/?term=33290311
22. https://www.ncbi.nlm.nih.gov/pubmed/?term=33621371
23. https://www.ncbi.nlm.nih.gov/pubmed/?term=33658762
24. https://www.ncbi.nlm.nih.gov/pubmed/?term=8157860
25. https://www.ncbi.nlm.nih.gov/pubmed/?term=8359391
26. https://www.ncbi.nlm.nih.gov/pubmed/?term=9125314
27. https://www.ncbi.nlm.nih.gov/pubmed/?term=9380354
28. Ajima, Ayako; Takahashi, Katsunobu; Matsushima, Ayako; Saito, Yuji; Inada, Yuji. Retinyl esters synthesis by polyethylene glycol-modified lipase in benzene. Biotechnology Letters (1986), 8(8), 547-52.