3-Oxo-7a,12a-dihydroxy-5b-cholanic acid (CED0184282)

Record Information
Version1.0
Creation Date2026-04-06 09:13:47 UTC
Update Date2026-05-21 09:49:45 UTC
Accession NumberCHEM121315
Identification
Common Name3-Oxo-7a,12a-dihydroxy-5b-cholanic acid
ClassSmall Molecule
Description
3-Oxo-7a,12a-dihydroxy-5b-cholanic acid belongs to the bile acids, alcohols and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules. The substance has been identified in or released from 13 recorded sources across multiple sectors. Within the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. In the energy, oil & gas and industrial manufacturing & chemical processing sectors, it is found in lubricants. It is also present in food packaging within the food, food processing & cookware sector. Additionally, it is found in textiles, leather & furnishings, specifically in synthetic textiles as well as carpets and rugs. The compound is further recorded in electrical & electronic equipment, including cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other item. One additional sector is also recorded as a source. Human exposure to 3-Oxo-7a,12a-dihydroxy-5b-cholanic acid may occur through oral, inhalation, and touch routes.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)
InChI KeyOEKUSRBIIZNLHZ-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 Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2636.0Log mg/kg[1500:4700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & 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 structureG-protein coupled receptor 183D4A7K7Rattus norvegicusPredicted (SEA)9.03051
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)26.858
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)5.0602
Click to view 3D structureHepatic sodium/bile acid cotransporterP26435Rattus norvegicusPredicted (SEA)0.700643
Bile acid receptor structureClick to view 3D structureBile acid receptorQ96RI1HumansPredicted (SEA)18.1389
Click to view 3D structureNuclear hormone receptor isoform AA0A0K0EQJ4Strongyloides stercoralisPredicted (SEA)0.311397
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)20.1629
Hepatic sodium/bile acid cotransporter structureClick to view 3D structureHepatic sodium/bile acid cotransporterQ14973HumansPredicted (SEA)1.55698
Click to view 3D structureCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2Q11205Rattus norvegicusPredicted (SEA)6.15009
Vitamin D3 receptor structureClick to view 3D structureVitamin D3 receptorP11473HumansPredicted (SEA)13.0787
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)43.1285
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)24.6782
Bile salt export pump structureClick to view 3D structureBile salt export pumpO95342HumansPredicted (SEA)16.1926
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)37.2898
Click to view 3D structureIleal sodium/bile acid cotransporterQ12908HumansPredicted (SEA)1.79053
NPC1-like intracellular cholesterol transporter 1 structureClick to view 3D structureNPC1-like intracellular cholesterol transporter 1Q9UHC9HumansPredicted (SEA)10.4318
Click to view 3D structureEphrin type-A receptor 2Q03145Mus musculusPredicted (SEA)11.8331
Click to view 3D structure3-hydroxy-3-methylglutaryl-coenzyme A reductaseP00347Cricetulus griseusPredicted (SEA)3.11397
Ephrin type-A receptor 2 structureClick to view 3D structureEphrin type-A receptor 2P29317HumansPredicted (SEA)898.146
Click to view 3D structureEphrin type-A receptor 7Q61772Mus musculusPredicted (SEA)13.935
Click to view 3D structureEphrin type-B receptor 3P54754Mus musculusPredicted (SEA)13.935
Click to view 3D structureEphrin type-B receptor 1P09759Rattus norvegicusPredicted (SEA)13.935
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)42.2721
Click to view 3D structureEphrin type-A receptor 8O09127Mus musculusPredicted (SEA)7.23998
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)99.4135
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available