4-oxo-4-(2-thienyl)butyric acid (CHEBI:64434)

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ChEBI Name	4-oxo-4-(2-thienyl)butyric acid

ChEBI ID	CHEBI:64434

Definition	A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H8O3S

Net Charge

Average Mass

184.21200

Monoisotopic Mass

184.01942

InChI

InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)

InChIKey

ULJMYWHLMLRYSO-UHFFFAOYSA-N

SMILES

OC(=O)CCC(=O)c1cccs1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	4-oxo-4-(2-thienyl)butyric acid (CHEBI:64434) has functional parent butyric acid (CHEBI:30772) 4-oxo-4-(2-thienyl)butyric acid (CHEBI:64434) has role hapten (CHEBI:59174) 4-oxo-4-(2-thienyl)butyric acid (CHEBI:64434) is a 4-oxo monocarboxylic acid (CHEBI:35950) 4-oxo-4-(2-thienyl)butyric acid (CHEBI:64434) is a thiophenes (CHEBI:26961)

IUPAC Name

4-oxo-4-(2-thienyl)butanoic acid

Synonyms	Sources
3-(2-thenoyl)propanoic acid	ChEBI
3-(2-Thenoyl)propionic acid	ChemIDplus
4-(2-thiophenyl)-4-oxobutanoic acid	ChEBI
4-(thien-2-yl)-4-oxobutanoic acid	ChEBI
4-(thien-2-yl)-4-oxobutyric acid	ChEBI
4-oxo-4-(2-thiophenyl)butanoic acid	ChEBI
4-oxo-4-(thien-2-yl)butanoic acid	ChEBI
4-oxo-4-(thien-2-yl)butyric acid	ChEBI

Citation	Type	Source
11712905	PubMed citation	Europe PMC

Last Modified

01 May 2012