4-(2,5-dioxopyrrol-1-yl)butanoic acid (CED0219393)

Record Information

Version

1.0

Creation Date

2026-08-25 06:22:45 UTC

Update Date

2026-08-25 06:22:45 UTC

SynCED ID

CED0219393

Secondary Accession Numbers

CHEM260692

Identification

Common Name

4-(2,5-dioxopyrrol-1-yl)butanoic acid

Class

Small Molecule

Description

4-(2,5-dioxopyrrol-1-yl)butanoic acid is an organic compound with the chemical formula C8H9NO4 and an average molecular weight of 183.16 g/mol. 4-(2,5-dioxopyrrol-1-yl)butanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules. It has been identified in one recorded source: electrical and electronic equipment, specifically within thin magnetic films.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₉NO₄

Average Molecular Mass

183.160 g/mol

Monoisotopic Mass

183.053 g/mol

CAS Registry Number

57078-98-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H9NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4H,1-2,5H2,(H,12,13)

InChI Key

NCPQROHLJFARLL-UHFFFAOYSA-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

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1970.0 Log mg/kg [1100:3500]	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
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	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
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	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

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	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.357 Applicability Domain 0.357 Statistical Significance 7.00e-05 Supporting Reference Compounds 1 E-value 0.544945
Click to view 3D structure	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.6 Statistical Significance 0.0021 Supporting Reference Compounds 76 E-value 16.7376
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.333 Statistical Significance 0.0084 Supporting Reference Compounds 127 E-value 65.3933
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 0.333 Statistical Significance 0.0072 Supporting Reference Compounds 89 E-value 56.1293
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.333 Statistical Significance 0.0077 Supporting Reference Compounds 197 E-value 59.6325
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.6 Statistical Significance 0.0027 Supporting Reference Compounds 115 E-value 20.7857
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.333 Statistical Significance 0.015 Supporting Reference Compounds 149 E-value 116.774
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.333 Statistical Significance 0.0169 Supporting Reference Compounds 192 E-value 131.409
Click to view 3D structure	Homeobox-leucine zipper protein PROTODERMAL FACTOR 2	Q93V99	Arabidopsis thaliana	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.288 Low confidence Statistical Significance 5.20e-04 Supporting Reference Compounds 1 E-value 4.04816
Click to view 3D structure	Free fatty acid receptor 1	O14842	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.333 Statistical Significance 0.0113 Supporting Reference Compounds 56 E-value 87.9696
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.333 Statistical Significance 0.0032 Supporting Reference Compounds 21 E-value 24.7561
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.6 Statistical Significance 0.0216 Supporting Reference Compounds 226 E-value 168.154
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.6 Statistical Significance 0.0216 Supporting Reference Compounds 227 E-value 168.154
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.6 Statistical Significance 0.0097 Supporting Reference Compounds 125 E-value 75.4359
Click to view 3D structure	Free fatty acid receptor 4	Q5NUL3	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.333 Statistical Significance 0.0121 Supporting Reference Compounds 63 E-value 94.5868
Click to view 3D structure	Fatty acid-binding protein, adipocyte	P15090	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.333 Statistical Significance 0.0022 Supporting Reference Compounds 19 E-value 17.2825
Click to view 3D structure	Cytosolic phospholipase A2	A4IFJ5	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 18.061
Click to view 3D structure	G-protein coupled receptor 84	Q9NQS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.333 Statistical Significance 0.0021 Supporting Reference Compounds 15 E-value 16.4262
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.321 Statistical Significance 0.0699 Supporting Reference Compounds 343 E-value 544.477
Click to view 3D structure	Fatty acid-binding protein, heart	P05413	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.333 Statistical Significance 0.0017 Supporting Reference Compounds 13 E-value 13.3122
Click to view 3D structure	Oxoeicosanoid receptor 1	Q8TDS5	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.306 Statistical Significance 9.20e-04 Supporting Reference Compounds 4 E-value 7.16213
Click to view 3D structure	Long-chain-fatty-acid--CoA ligase 6	Q9UKU0	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.255 Low confidence Statistical Significance 0.0055 Supporting Reference Compounds 1 E-value 43.1285
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.277 Low confidence Statistical Significance 0.2501 Supporting Reference Compounds 553 E-value 1946.78
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.269 Low confidence Statistical Significance 0.0242 Supporting Reference Compounds 95 E-value 188.162
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.405 Statistical Significance 0.068 Supporting Reference Compounds 106 E-value 529.141