(9Beta,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid (CED0086315)

Record Information
Version1.0
Creation Date2026-04-03 02:37:33 UTC
Update Date2026-05-20 19:01:02 UTC
Accession NumberCHEM060436
Identification
Common Name(9Beta,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid
ClassSmall Molecule
Description
(9Beta,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid belongs to the eicosanoids, a subclass of fatty acyls within the organic compounds. This compound has the formula C20H36O6 and an average molecular weight of 372.50 g/mol. It is identified as a lipid and lipid-like molecule. The substance has been found in or released from two recorded sources: amplifiers (electrical & electronic equipment) and indoor air (air, dust & atmospheric transport). The recorded exposure route for this compound is inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H36O6
Average Molecular Mass372.502 g/mol
Monoisotopic Mass372.251 g/mol
CAS Registry Number64626-32-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCC[C@H](O)C=C[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
InChI IdentifierInChI=1S/C20H36O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1
InChI KeyJSDWWNLTJCCSAV-VZBVYBAISA-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
2049.0Log mg/kg[1200:3600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
19Indoor airAir, dust & atmospheric transportNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSolute carrier organic anion transporter family member 2B1Q9JHI3Rattus norvegicusPredicted (SEA)0.0778492
Click to view 3D structureNuclear receptor subfamily 4 group A member 2Q07917Rattus norvegicusPredicted (SEA)0.0778492
Click to view 3D structureSolute carrier organic anion transporter family member 2A1Q9EPT5Mus musculusPredicted (SEA)0.233548
Prostacyclin receptor structureClick to view 3D structureProstacyclin receptorP43119HumansPredicted (SEA)1.94623
Prostaglandin E2 receptor EP2 subtype structureClick to view 3D structureProstaglandin E2 receptor EP2 subtypeP43116HumansPredicted (SEA)3.34752
Prostaglandin E2 receptor EP4 subtype structureClick to view 3D structureProstaglandin E2 receptor EP4 subtypeP35408HumansPredicted (SEA)3.03612
Click to view 3D structureProstaglandin E2 receptor EP1 subtypeP35375Mus musculusPredicted (SEA)3.11397
Click to view 3D structureProstaglandin E2 receptor EP3 subtypeP30557Mus musculusPredicted (SEA)4.20386
Click to view 3D structureProstaglandin E2 receptor EP4 subtypeP32240Mus musculusPredicted (SEA)3.11397
Click to view 3D structureProstaglandin E2 receptor EP2 subtypeQ62053Mus musculusPredicted (SEA)2.95827
Prostaglandin E2 receptor EP3 subtype structureClick to view 3D structureProstaglandin E2 receptor EP3 subtypeP43115HumansPredicted (SEA)5.2159
Click to view 3D structureProstaglandin E2 receptor EP1 subtypeP34995HumansPredicted (SEA)6.46149
Prostaglandin F2-alpha receptor structureClick to view 3D structureProstaglandin F2-alpha receptorP43088HumansPredicted (SEA)4.5931
Solute carrier organic anion transporter family member 2A1 structureClick to view 3D structureSolute carrier organic anion transporter family member 2A1Q92959HumansPredicted (SEA)0.544945
Thromboxane A2 receptor structureClick to view 3D structureThromboxane A2 receptorP21731HumansPredicted (SEA)8.17417
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)38.0683
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)22.4984
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)32.8524
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)26.6244
Click to view 3D structureProstaglandin E2 receptor EP2 subtypeQ62928Rattus norvegicusPredicted (SEA)1.55698
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)10.8989
Click to view 3D structureProstaglandin F2-alpha receptorP37289Bos taurusPredicted (SEA)0.622794
Click to view 3D structureProstaglandin E2 receptor EP4 subtypeP43114Rattus norvegicusPredicted (SEA)2.17978
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)12.5337
Click to view 3D structureNuclear receptor subfamily 4 group A member 2Q06219Mus musculusPredicted (SEA)0.0778492
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available