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

ChEBI IDCHEBI:64434
ChEBI Name4-oxo-4-(2-thienyl)butyric acid
Stars
DefinitionA 4-oxo monocarboxylic acid that is butyric acid bearing oxo and 2-thienyl groups at position 4.
Last Modified1 May 2012
SubmitterSteve
DownloadsMolfile
FormulaC8H8O3S
Net Charge0
Average Mass184.216
Monoisotopic Mass184.01942
SMILESO=C(O)CCC(=O)c1cccs1
InChIInChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)
InChIKeyULJMYWHLMLRYSO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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  Source
3-(2-thenoyl)propanoic acidChEBI
3-(2-Thenoyl)propionic acidChemIDplus
4-(2-thiophenyl)-4-oxobutanoic acidChEBI
4-oxo-4-(2-thiophenyl)butanoic acidChEBI
4-oxo-4-(thien-2-yl)butanoic acidChEBI
4-oxo-4-(thien-2-yl)butyric acidChEBI
Manual XrefsDatabases
EP1873144Patent
US2005171346Patent
Registry NumbersSources
Reaxys:133870Reaxys
CAS:4653-08-1ChemIDplus
Citations