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> Main
CHEBI:40114 - 4-(2-thienyl)butyric acid
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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.
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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 (Br
o
nsted 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
Type
Source
11712905
PubMed citation
Europe PMC
Last Modified
01 May 2012