Cholest-5-ene-3ß-thiol (CED0128559)

Record Information
Version1.0
Creation Date2026-04-04 20:10:52 UTC
Update Date2026-04-04 20:10:52 UTC
Accession NumberCHEM080750
Identification
Common NameCholest-5-ene-3ß-thiol
ClassSmall Molecule
Description
Cholest-5-ene-3ß-thiol (C27H46S) is an organic compound with an average molecular weight of 402.73 g/mol. Cholest-5-ene-3ß-thiol belongs to the cholestane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This substance is classified as a lipid or lipid-like molecule. It has been found in or released from one recorded source: Electrical & Electronic Equipment (X Ray Tubes).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC27H46S
Average Molecular Mass402.730 g/mol
Monoisotopic Mass402.332 g/mol
CAS Registry Number1249-81-6
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](S)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C
InChI IdentifierInChI=1/C27H46S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3
InChI KeyQGVQZRDQPDLHHV-DPAQBDIFSA-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
2025.0Log mg/kg[1100:3600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
540X Ray TubesElectrical & 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 structureSteroid 17-alpha-hydroxylase/17,20 lyaseP11715Rattus norvegicusPredicted (SEA)5.3716
Click to view 3D structureSteroid C26-monooxygenaseP9WPP1Mycobacterium tuberculosisPredicted (SEA)0.700643
Click to view 3D structureEphrin type-A receptor 5P54757Rattus norvegicusPredicted (SEA)1.08989
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)34.1758
Click to view 3D structureEphrin type-A receptor 8O09127Mus musculusPredicted (SEA)1.40129
M-phase inducer phosphatase 1 structureClick to view 3D structureM-phase inducer phosphatase 1P30304HumansPredicted (SEA)1.08989
Oxysterol-binding protein 1 structureClick to view 3D structureOxysterol-binding protein 1P22059HumansPredicted (SEA)0.622794
Click to view 3D structureOxysterol-binding protein 2Q969R2HumansPredicted (SEA)0.700643
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)4.28171
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)4.20386
NPC1-like intracellular cholesterol transporter 1 structureClick to view 3D structureNPC1-like intracellular cholesterol transporter 1Q9UHC9HumansPredicted (SEA)0.778492
Click to view 3D structure3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomeraseP9WQP7Mycobacterium tuberculosisPredicted (SEA)0.778492
Click to view 3D structureOxysterols receptor LXR-betaQ62755Rattus norvegicusPredicted (SEA)0.700643
Click to view 3D structureG-protein coupled receptor 183D4A7K7Rattus norvegicusPredicted (SEA)1.01204
Click to view 3D structureEphrin type-A receptor 7Q61772Mus musculusPredicted (SEA)0.700643
Click to view 3D structureEphrin type-B receptor 3P54754Mus musculusPredicted (SEA)0.700643
Click to view 3D structureEphrin type-B receptor 1P09759Rattus norvegicusPredicted (SEA)0.700643
G-protein coupled receptor 183 structureClick to view 3D structureG-protein coupled receptor 183P32249HumansPredicted (SEA)1.32344
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP00347Cricetulus griseusPredicted (SEA)0.700643
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)9.49761
Click to view 3D structureEphrin type-A receptor 6Q62413Mus musculusPredicted (SEA)0.700643
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)8.71911
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)13.0008
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)8.87481
Alpha-crystallin B chain structureClick to view 3D structureAlpha-crystallin B chainP02511HumansPredicted (SEA)1.08989
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available