(3ß,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol (CED0086474)

Record Information
Version1.0
Creation Date2026-04-04 20:08:05 UTC
Update Date2026-04-04 20:08:05 UTC
Accession NumberCHEM080661
Identification
Common Name(3ß,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol
ClassSmall Molecule
Description
(3ß,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol belongs to the vitamin d and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. This compound has the chemical formula C27H44O. It is identified as being found in or released from three recorded sources, which include tobacco product cases used in household cleaning and consumer products, the preparation of vinegar within food, food processing and cookware, and discharge lamps used in electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H44O
Average Molecular MassNot Available
Monoisotopic Mass384.339 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3
InChI KeyYUGCAAVRZWBXEQ-RWDMXNMGSA-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
42.0Log mg/kg[20:74]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
514Discharge LampsElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)31.2954
Click to view 3D structureNuclear hormone receptor isoform AA0A0K0EQJ4Strongyloides stercoralisPredicted (SEA)0.311397
NPC1-like intracellular cholesterol transporter 1 structureClick to view 3D structureNPC1-like intracellular cholesterol transporter 1Q9UHC9HumansPredicted (SEA)4.12601
Oxysterol-binding protein 1 structureClick to view 3D structureOxysterol-binding protein 1P22059HumansPredicted (SEA)2.80257
Click to view 3D structureVitamin D3 receptorA3RGC1Sus scrofaPredicted (SEA)3.19182
Vitamin D-binding protein structureClick to view 3D structureVitamin D-binding proteinP02774HumansPredicted (SEA)3.19182
Click to view 3D structureOxysterol-binding protein 2Q969R2HumansPredicted (SEA)2.56902
Vitamin D3 receptor structureClick to view 3D structureVitamin D3 receptorP11473HumansPredicted (SEA)10.7432
Click to view 3D structureVitamin D3 receptorP13053Rattus norvegicusPredicted (SEA)3.19182
Click to view 3D structure3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomeraseP9WQP7Mycobacterium tuberculosisPredicted (SEA)3.34752
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)36.8227
Click to view 3D structureG-protein coupled receptor 183D4A7K7Rattus norvegicusPredicted (SEA)5.83869
Click to view 3D structureVitamin D3 receptorO42392Gallus gallusPredicted (SEA)3.03612
G-protein coupled receptor 183 structureClick to view 3D structureG-protein coupled receptor 183P32249HumansPredicted (SEA)13.935
Click to view 3D structureVitamin D3 receptorP48281Mus musculusPredicted (SEA)2.88042
Click to view 3D structureVitamin D3 receptor AQ9PTN2Danio rerioPredicted (SEA)3.26967
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)27.2472
Click to view 3D structureVitamin D3 receptorQ28037Bos taurusPredicted (SEA)3.19182
M-phase inducer phosphatase 1 structureClick to view 3D structureM-phase inducer phosphatase 1P30304HumansPredicted (SEA)5.29375
Alpha-crystallin B chain structureClick to view 3D structureAlpha-crystallin B chainP02511HumansPredicted (SEA)2.25763
Click to view 3D structureCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2Q11205Rattus norvegicusPredicted (SEA)16.1926
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)94.8982
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)384.731
Click to view 3D structureOxysterols receptor LXR-betaQ62755Rattus norvegicusPredicted (SEA)10.6653
Alpha-crystallin A chain structureClick to view 3D structureAlpha-crystallin A chainP02489HumansPredicted (SEA)1.94623
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available