2-(2,5-dioxopyrrol-1-yl)ethyl methanesulfonate (CED0209087)

Record Information

Version

1.0

Creation Date

2026-08-24 10:11:52 UTC

Update Date

2026-08-24 10:11:52 UTC

SynCED ID

CED0209087

Secondary Accession Numbers

CHEM247783

Identification

Common Name

2-(2,5-dioxopyrrol-1-yl)ethyl methanesulfonate

Class

Small Molecule

Description

2-(2,5-dioxopyrrol-1-yl)ethyl methanesulfonate belongs to the pyrrolidones, a subclass of pyrrolidines within the organic compounds. It is classified as an organoheterocyclic compound with the formula C7H9NO5S. The compound has an average molecular weight of 219.22 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₉NO₅S

Average Molecular Mass

219.220 g/mol

Monoisotopic Mass

219.020 g/mol

CAS Registry Number

155863-36-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H9NO5S/c1-14(11,12)13-5-4-8-6(9)2-3-7(8)10/h2-3H,4-5H2,1H3

InChI Key

PMKKIDFHWBBGDA-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
2000.0 Log mg/kg [1100:3600]	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
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000690	Lime?Lime, primarily comprised of calcium oxide (CaO) or calcium hydroxide (Ca(OH)₂), is widely used in various applications, including as a key ingredient in mortars, plasters, and cement.	Building & Construction	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
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem
CEDs000701	Ventilation Of Mines Or Tunnels?Ventilation in mines or tunnels is essential for maintaining air quality and ensuring the safety of workers.	Mining & metal processing	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	Monoglyceride lipase	Q99685	Humans	Predicted (SEA)	Prediction Confidence Score 0.285 Applicability Domain 0.448 Statistical Significance 0.0074 Supporting Reference Compounds 76 E-value 57.6084
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.448 Statistical Significance 0.0791 Supporting Reference Compounds 226 E-value 615.865
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.448 Statistical Significance 0.0791 Supporting Reference Compounds 227 E-value 616.099
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.263 Low confidence Statistical Significance 0.0479 Supporting Reference Compounds 55 E-value 372.586
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.448 Statistical Significance 0.2295 Supporting Reference Compounds 125 E-value 1786.87
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.255 Low confidence Statistical Significance 0.1876 Supporting Reference Compounds 111 E-value 1460.76
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.35 Statistical Significance 0.2606 Supporting Reference Compounds 102 E-value 2028.44
Click to view 3D structure	Aldehyde dehydrogenase, dimeric NADP-preferring	P30838	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.234 Low confidence Statistical Significance 0.0112 Supporting Reference Compounds 10 E-value 87.269
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.448 Statistical Significance 0.3052 Supporting Reference Compounds 115 E-value 2375.8
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.361 Statistical Significance 0.3416 Supporting Reference Compounds 215 E-value 2659.25
Click to view 3D structure	Aldehyde dehydrogenase 1A1	P00352	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.227 Low confidence Statistical Significance 0.0623 Supporting Reference Compounds 31 E-value 484.845
Click to view 3D structure	Beta Lactamase	Q932Y6	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.255 Low confidence Statistical Significance 0.236 Supporting Reference Compounds 91 E-value 1837.24
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0121 Supporting Reference Compounds 1 E-value 94.1976
Click to view 3D structure	Monoglyceride lipase	Q8R431	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.35 Statistical Significance 0.0391 Supporting Reference Compounds 21 E-value 304.39
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.209 Low confidence Statistical Significance 0.7243 Supporting Reference Compounds 385 E-value 5638.62
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.226 Low confidence Statistical Significance 0.6175 Supporting Reference Compounds 331 E-value 4806.96
Click to view 3D structure	Bromodomain-containing protein 4	O60885	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.245 Low confidence Statistical Significance 0.6063 Supporting Reference Compounds 237 E-value 4720.39
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.234 Low confidence Statistical Significance 0.632 Supporting Reference Compounds 472 E-value 4919.92
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.234 Low confidence Statistical Significance 0.5788 Supporting Reference Compounds 407 E-value 4505.83
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.204 Low confidence Statistical Significance 0.6006 Supporting Reference Compounds 315 E-value 4675.47
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.2 Low confidence Statistical Significance 0.7318 Supporting Reference Compounds 406 E-value 5696.85
Click to view 3D structure	Adenosine receptor A2a	P30543	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.196 Low confidence Statistical Significance 0.4391 Supporting Reference Compounds 174 E-value 3418.36
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.224 Low confidence Statistical Significance 0.6334 Supporting Reference Compounds 296 E-value 4930.89
Click to view 3D structure	Adenosine receptor A1	P25099	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.196 Low confidence Statistical Significance 0.4646 Supporting Reference Compounds 221 E-value 3616.87
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.19 Applicability Domain 0.203 Low confidence Statistical Significance 0.8992 Supporting Reference Compounds 1103 E-value 7000.05