CHEBI:40114 - 4-(2-thienyl)butyric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(2-thienyl)butyric acid
ChEBI ID CHEBI:40114
Definition A monocarboxylic acid that is butyric acid bearing a 2-thienyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C8H10O2S
Net Charge 0
Average Mass 170.22900
Monoisotopic Mass 170.04015
InChI InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
InChIKey VYTXLSQVYGNWLV-UHFFFAOYSA-N
SMILES OC(=O)CCCc1cccs1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-(2-thienyl)butyric acid (CHEBI:40114) has functional parent butyric acid (CHEBI:30772)
4-(2-thienyl)butyric acid (CHEBI:40114) has role hapten (CHEBI:59174)
4-(2-thienyl)butyric acid (CHEBI:40114) is a monocarboxylic acid (CHEBI:25384)
4-(2-thienyl)butyric acid (CHEBI:40114) is a thiophenes (CHEBI:26961)
IUPAC Name
4-(2-thienyl)butanoic acid
Synonyms Sources
2-Thiophenebutanoic acid NIST Chemistry WebBook
2-Thiophenebutyric acid NIST Chemistry WebBook
4-thiophen-2-ylbutanoic acid PDBeChem
γ-(α-thienyl)butyricacid NIST Chemistry WebBook
Manual Xrefs Databases
4TB PDBeChem
DB02434 DrugBank
View more database links
Registry Numbers Types Sources
127982 Reaxys Registry Number Reaxys
4653-11-6 CAS Registry Number NIST Chemistry WebBook
4653-11-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11712905 PubMed citation Europe PMC
Last Modified
01 May 2012