(z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic acid (CED0171150)

Record Information

Version

1.0

Creation Date

2026-08-20 06:32:29 UTC

Update Date

2026-08-20 06:32:29 UTC

Accession Number

CHEM202184

Identification

Common Name

(z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic acid

Class

Small Molecule

Description

(z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-3-hydroxy-4-thiophen-3-yloxybut-1-enyl]cyclopentyl]hept-5-enoic acid belongs to the eicosanoids, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C20H28O6S and an average molecular weight of 396.50 g/mol. It is classified as a lipid and lipid-like molecule. The compound is found in or released from three recorded sources, which include electrical and electronic equipment. Specifically, it is associated with adjustable resistors, electric hearing aids, and line transmission systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₆S

Average Molecular Mass

396.500 g/mol

Monoisotopic Mass

396.161 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14?,16-,17-,18+,19-/m1/s1

InChI Key

FYBFDIIAPRHIQS-JRSBLEPXSA-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

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
148.0	Log mg/kg	[80:260]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
504	Adjustable Resistors	Electrical & Electronic Equipment	Not Available
516	Electric Hearing Aids	Electrical & Electronic Equipment	Not Available
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
653	Sewing	Textiles, leather & furnishings	Not Available
663	Sanitary Equipment	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathways

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	Prostaglandin F2-alpha receptor	P37289	Bos taurus	Predicted (SEA)	0.0778492
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43088	Humans	Predicted (SEA)	2.72472
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q9EPT5	Mus musculus	Predicted (SEA)	0.233548
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	2.10193
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	4.67095
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q92959	Humans	Predicted (SEA)	0.233548
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P35408	Humans	Predicted (SEA)	3.65891
Click to view 3D structure	Solute carrier organic anion transporter family member 2B1	Q9JHI3	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	5.13805
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43117	Mus musculus	Predicted (SEA)	0.856341
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	6.46149
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	7.00643
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	5.60514
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	7.86277
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	5.99439
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	5.44945
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	Q28691	Oryctolagus cuniculus	Predicted (SEA)	0.311397
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q00910	Rattus norvegicus	Predicted (SEA)	0.467095
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P43114	Rattus norvegicus	Predicted (SEA)	6.61718
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	589.864
Click to view 3D structure	Nuclear receptor subfamily 4 group A member 2	Q07917	Rattus norvegicus	Predicted (SEA)	7.16213
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	536.77
Click to view 3D structure	ATP-binding cassette sub-family C member 4	O15439	Humans	Predicted (SEA)	18.061
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	363.4