Cholest-5-en-3ß-yl hydrogen succinate (CED0163749)

Record Information

Version

1.0

Creation Date

2026-04-04 20:29:01 UTC

Update Date

2026-08-22 10:43:57 UTC

SynCED ID

CED0163749

Secondary Accession Numbers

CHEM081336

Identification

Common Name

Cholest-5-en-3ß-yl hydrogen succinate

Class

Small Molecule

Description

Cholest-5-en-3ß-yl hydrogen succinate (C31H50O4) is a compound with an average molecular weight of 486.74 g/mol. Cholest-5-en-3ß-yl hydrogen succinate belongs to the steroid esters, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. This substance has been found in or released from two recorded sources: antennas within electrical and electronic equipment, and non-electric simulated smoking devices within household cleaning and consumer products.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₁H₅₀O₄

Average Molecular Mass

486.737 g/mol

Monoisotopic Mass

486.371 g/mol

CAS Registry Number

1510-21-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCC(O)=O

InChI Identifier

InChI=1/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)

InChI Key

WLRFZDISHUGS-MIXBDBMTSA-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

ligand (PMC8658689 )?

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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2168.0 Log mg/kg [1200:3900]	Rat	LD50	oral	predicted	Not Available	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
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs03184	Detergent Micelles	Household cleaning & consumer products	PMC13008475 , PMC7832587
CEDs03191	Detergent Solution	Household cleaning & consumer products	PMC3463599

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	Oxysterol-binding protein 1	P22059	Humans	Predicted (SEA)	Prediction Confidence Score 0.561 Applicability Domain 0.667 Statistical Significance 1.20e-04 Supporting Reference Compounds 9 E-value 0.934191
Click to view 3D structure	Oxysterol-binding protein 2	Q969R2	Humans	Predicted (SEA)	Prediction Confidence Score 0.555 Applicability Domain 0.667 Statistical Significance 1.20e-04 Supporting Reference Compounds 7 E-value 0.934191
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.539 Applicability Domain 0.667 Statistical Significance 0.0013 Supporting Reference Compounds 102 E-value 10.4318
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.538 Applicability Domain 0.569 Statistical Significance 9.20e-04 Supporting Reference Compounds 76 E-value 7.16213
Click to view 3D structure	NPC1-like intracellular cholesterol transporter 1	Q9UHC9	Humans	Predicted (SEA)	Prediction Confidence Score 0.528 Applicability Domain 0.554 Statistical Significance 1.30e-04 Supporting Reference Compounds 13 E-value 1.01204
Click to view 3D structure	Ephrin type-A receptor 7	Q61772	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.463 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Ephrin type-B receptor 3	P54754	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.463 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	Ephrin type-B receptor 1	P09759	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.463 Applicability Domain 0.463 Statistical Significance 8.00e-05 Supporting Reference Compounds 1 E-value 0.622794
Click to view 3D structure	3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase	P9WQP7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.449 Applicability Domain 0.449 Statistical Significance 1.70e-04 Supporting Reference Compounds 1 E-value 1.32344
Click to view 3D structure	Oxysterols receptor LXR-beta	Q62755	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.433 Applicability Domain 0.554 Statistical Significance 9.00e-05 Supporting Reference Compounds 4 E-value 0.700643
Click to view 3D structure	Ephrin type-A receptor 6	Q62413	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.427 Applicability Domain 0.463 Statistical Significance 8.00e-05 Supporting Reference Compounds 2 E-value 0.622794
Click to view 3D structure	Phospholipid-transporting ATPase IA	Q9Y2Q0	Humans	Known	Not Available
Click to view 3D structure	3-hydroxy-3-methylglutaryl-coenzyme A reductase	P00347	Cricetulus griseus	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 0.47 Statistical Significance 7.00e-05 Supporting Reference Compounds 2 E-value 0.544945
Click to view 3D structure	Ephrin type-A receptor 8	O09127	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.406 Applicability Domain 0.463 Statistical Significance 6.00e-05 Supporting Reference Compounds 3 E-value 0.467095
Click to view 3D structure	Ephrin type-A receptor 5	P54757	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.402 Applicability Domain 0.463 Statistical Significance 7.00e-05 Supporting Reference Compounds 4 E-value 0.544945
Click to view 3D structure	Ephrin type-A receptor 2	Q03145	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.391 Applicability Domain 0.463 Statistical Significance 1.30e-04 Supporting Reference Compounds 7 E-value 1.01204
Click to view 3D structure	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2	Q11205	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.385 Applicability Domain 0.385 Statistical Significance 1.80e-04 Supporting Reference Compounds 1 E-value 1.40129
Click to view 3D structure	Ephrin type-A receptor 2	P29317	Humans	Predicted (SEA)	Prediction Confidence Score 0.384 Applicability Domain 0.463 Statistical Significance 0.0164 Supporting Reference Compounds 611 E-value 127.984
Click to view 3D structure	G-protein coupled receptor 183	D4A7K7	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.395 Statistical Significance 2.00e-04 Supporting Reference Compounds 2 E-value 1.55698
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.377 Applicability Domain 0.413 Statistical Significance 0.0027 Supporting Reference Compounds 54 E-value 21.175
Click to view 3D structure	M-phase inducer phosphatase 1	P30304	Humans	Predicted (SEA)	Prediction Confidence Score 0.376 Applicability Domain 0.507 Statistical Significance 7.00e-05 Supporting Reference Compounds 25 E-value 0.544945
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	Prediction Confidence Score 0.361 Applicability Domain 0.432 Statistical Significance 0.0012 Supporting Reference Compounds 69 E-value 9.41976
Click to view 3D structure	G-protein coupled receptor 183	P32249	Humans	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.486 Statistical Significance 2.90e-04 Supporting Reference Compounds 63 E-value 2.25763
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 0.413 Statistical Significance 0.0036 Supporting Reference Compounds 94 E-value 28.0257
Click to view 3D structure	Nuclear receptor ROR-alpha	P35398	Humans	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.493 Statistical Significance 0.002 Supporting Reference Compounds 41 E-value 15.9591
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.353 Applicability Domain 0.42 Statistical Significance 0.0016 Supporting Reference Compounds 33 E-value 12.4559