4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441)

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ChEBI Name	4-(5-ethyl-2-thienyl)-4-oxobutyric acid

ChEBI ID	CHEBI:64441

Definition	A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 5-ethyl-2-thienyl groups at position 4.

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

Supplier Information

Download	Molfile XML SDF

Formula

C10H12O3S

Net Charge

Average Mass

212.26500

Monoisotopic Mass

212.05072

InChI

InChI=1S/C10H12O3S/c1-2-7-3-5-9(14-7)8(11)4-6-10(12)13/h3,5H,2,4,6H2,1H3,(H,12,13)

InChIKey

CQZPZVGEZHGESA-UHFFFAOYSA-N

SMILES

CCc1ccc(s1)C(=O)CCC(O)=O

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-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) has functional parent butyric acid (CHEBI:30772) 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) has role hapten (CHEBI:59174) 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) is a 4-oxo monocarboxylic acid (CHEBI:35950) 4-(5-ethyl-2-thienyl)-4-oxobutyric acid (CHEBI:64441) is a thiophenes (CHEBI:26961)

IUPAC Name

4-(5-ethyl-2-thienyl)-4-oxobutanoic acid

Synonyms	Sources
3-(5-ethyl-2-thenoyl)propanoic acid	ChEBI
3-(5-ethyl-2-thenoyl)propionic acid	ChEBI
4-(5-ethylthiophen-2-yl)-4-oxobutanoic acid	ChEBI
4-(5-ethylthiophen-2-yl)-4-oxobutyric acid	ChEBI
4-oxo-4-(5-ethylthien-2-yl)butanoic acid	ChEBI
4-oxo-4-(5-ethylthien-2-yl)butyric acid	ChEBI

Registry Number	Type	Source
171755	Reaxys Registry Number	Reaxys

Citation	Type	Source
11712905	PubMed citation	Europe PMC

Last Modified

30 April 2012