[5,6-bis(2,3-dihydroxypropoxy)-3,4,5,6-tetrakis(2,3-dihydroxypropyl)-8,9-dihydroxy-4-(3-hydroxy-2-octadecanoyloxypropyl)-2-octadecanoyloxynonyl] octadecanoate (CED0209140)

Record Information
Version1.0
Creation Date2026-08-24 10:20:00 UTC
Update Date2026-08-24 10:20:00 UTC
Accession NumberCHEM247857
Identification
Common Name[5,6-bis(2,3-dihydroxypropoxy)-3,4,5,6-tetrakis(2,3-dihydroxypropyl)-8,9-dihydroxy-4-(3-hydroxy-2-octadecanoyloxypropyl)-2-octadecanoyloxynonyl] octadecanoate
ClassSmall Molecule
Description
[5,6-bis(2,3-dihydroxypropoxy)-3,4,5,6-tetrakis(2,3-dihydroxypropyl)-8,9-dihydroxy-4-(3-hydroxy-2-octadecanoyloxypropyl)-2-octadecanoyloxynonyl] octadecanoate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 1,542 g/mol, [5,6-bis(2,3-dihydroxypropoxy)-3,4,5,6-tetrakis(2,3-dihydroxypropyl)-8,9-dihydroxy-4-(3-hydroxy-2-octadecanoyloxypropyl)-2-octadecanoyloxynonyl] octadecanoate is a heavy molecule. Its chemical formula is C84H164O23.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC84H164O23
Average Molecular Mass1542.200 g/mol
Monoisotopic Mass1541.166 g/mol
CAS Registry Number12709-64-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C84H164O23/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-79(100)103-68-78(107-81(102)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)77(52-69(93)58-85)82(53-70(94)59-86,57-76(65-92)106-80(101)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)84(56-73(97)62-89,105-67-75(99)64-91)83(54-71(95)60-87,55-72(96)61-88)104-66-74(98)63-90/h69-78,85-99H,4-68H2,1-3H3
InChI KeyJJGGZDOVCQFFTL-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)7.39568
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)4.04816
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)5.3716
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)4.43741
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)4.5931
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)3.50322
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)5.91654
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)3.03612
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)302.444
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)4.04816
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)5.3716
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)16.4262
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)4.9045
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)13.7793
Protein kinase C epsilon type structureClick to view 3D structureProtein kinase C epsilon typeQ02156HumansPredicted (SEA)1166.26
Click to view 3D structureProtein kinase C alpha typeP04409Bos taurusPredicted (SEA)1.71268
DNA-directed DNA/RNA polymerase mu structureClick to view 3D structureDNA-directed DNA/RNA polymerase muQ9NP87HumansPredicted (SEA)45.931
Click to view 3D structureDNA nucleotidylexotransferaseP06526Bos taurusPredicted (SEA)45.931
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)1814.12
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)1742.42
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)461.724
Ceramide transfer protein structureClick to view 3D structureCeramide transfer proteinQ9Y5P4HumansPredicted (SEA)108.366
Click to view 3D structureToll-like receptor 2Q9QUN7Mus musculusPredicted (SEA)58.9319
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)1182.3
Click to view 3D structureG protein-coupled receptor 34aQ6XCC7Danio rerioPredicted (SEA)10.1982
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available