Abiraterone sulfate (CED0007466)

Record Information

Version

1.0

Creation Date

2026-04-06 09:35:46 UTC

Update Date

2026-08-30 23:44:44 UTC

SynCED ID

CED0007466

Secondary Accession Numbers

CHEM121808

Identification

Common Name

Abiraterone sulfate

Class

Small Molecule

Description

Abiraterone sulfate is an organic compound with the formula C24H31NO4S and an average molecular weight of 429.60 g/mol. Abiraterone sulfate belongs to the sulfated steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound is found in or released from 13 recorded sources across multiple sectors. In the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. Within energy, oil & gas as well as industrial manufacturing & chemical processing, it is found in lubricants. It is recorded in food packaging under the food, food processing & cookware sector. Additionally, it is present in textiles, leather & furnishings, specifically in synthetic textiles and carpets and rugs. It is also found in electrical & electronic equipment, including cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one more source. Recorded exposure routes for abiraterone sulfate include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₄H₃₁NO₄S

Average Molecular Mass

Not Available

Monoisotopic Mass

429.197 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C)OS(=O)(=O)O

InChI Identifier

InChI=1S/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18?,19-,21-,22-,23-,24+/m0/s1

InChI Key

LUQSJWRTYLGZJB-ZHVNYGEGSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0w29-0274900000-72adc3bfa86c96c71d2a	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0004900000-198f2a44c1be3d1275cb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-1129100000-441ab8adf9ff9665f076	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05fr-0689100000-376a847bde820538bbab	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0003900000-90a8a099791e9ee43187	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0009200000-05702a0d156213758638	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001j-5009000000-ddf75294fa0acd7f4a1f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0009700000-6ab1ac9d6c9179b86588	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-0149000000-01f3a51d15bb17ef9d58	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0uei-0934000000-2f3b8af419ec11271859	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-0000900000-c92ce68582890c46bd84	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9000000000-b427a7756f10c58e2353	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-9001100000-7aa28ff4ea9f18984463	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	Prediction Confidence Score 0.624 Applicability Domain 0.712 Statistical Significance 2.00e-05 Supporting Reference Compounds 69 E-value 0.155698
Click to view 3D structure	Steroid 21-hydroxylase	P08686	Humans	Predicted (SEA)	Prediction Confidence Score 0.587 Applicability Domain 0.712 Statistical Significance 7.00e-05 Supporting Reference Compounds 26 E-value 0.544945
Click to view 3D structure	Cytochrome P450 11B1, mitochondrial	P15538	Humans	Predicted (SEA)	Prediction Confidence Score 0.441 Applicability Domain 0.712 Statistical Significance 5.80e-04 Supporting Reference Compounds 66 E-value 4.51525
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	Q2XVA1	Macaca fascicularis	Predicted (SEA)	Prediction Confidence Score 0.415 Applicability Domain 0.712 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P11715	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.406 Applicability Domain 0.712 Statistical Significance 3.60e-04 Supporting Reference Compounds 23 E-value 2.80257
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.404 Applicability Domain 0.712 Statistical Significance 0.0199 Supporting Reference Compounds 1538 E-value 154.998
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.712 Statistical Significance 0.0033 Supporting Reference Compounds 127 E-value 25.6124
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.356 Applicability Domain 0.377 Statistical Significance 0.0041 Supporting Reference Compounds 146 E-value 31.8403
Click to view 3D structure	Cytochrome P450 11B2, mitochondrial	P19099	Humans	Predicted (SEA)	Prediction Confidence Score 0.346 Applicability Domain 0.712 Statistical Significance 0.0013 Supporting Reference Compounds 62 E-value 9.9647
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.379 Statistical Significance 0.0022 Supporting Reference Compounds 33 E-value 17.2047
Click to view 3D structure	NPC1-like intracellular cholesterol transporter 1	Q9UHC9	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.379 Statistical Significance 0.0012 Supporting Reference Compounds 13 E-value 9.18621
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.379 Statistical Significance 0.002 Supporting Reference Compounds 21 E-value 15.5698
Click to view 3D structure	Oxysterol-binding protein 1	P22059	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.333 Statistical Significance 0.0011 Supporting Reference Compounds 9 E-value 8.56341
Click to view 3D structure	Oxysterol-binding protein 2	Q969R2	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.333 Statistical Significance 9.80e-04 Supporting Reference Compounds 7 E-value 7.62922
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.305 Applicability Domain 0.333 Statistical Significance 0.0058 Supporting Reference Compounds 76 E-value 45.0747
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.653 Statistical Significance 0.0837 Supporting Reference Compounds 553 E-value 651.909
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.358 Statistical Significance 0.0158 Supporting Reference Compounds 201 E-value 123.002
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.653 Statistical Significance 0.0553 Supporting Reference Compounds 317 E-value 430.895
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.379 Statistical Significance 0.0011 Supporting Reference Compounds 2 E-value 8.87481
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.333 Statistical Significance 0.0106 Supporting Reference Compounds 102 E-value 82.598
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.358 Statistical Significance 0.0173 Supporting Reference Compounds 174 E-value 134.523
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.358 Statistical Significance 0.0051 Supporting Reference Compounds 73 E-value 39.3917
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.321 Statistical Significance 0.0096 Supporting Reference Compounds 154 E-value 74.5017
Click to view 3D structure	Ephrin type-A receptor 7	Q61772	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 21.4085
Click to view 3D structure	Ephrin type-B receptor 3	P54754	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 1 E-value 21.4085