CHEBI:64707 - decarboxysuprofen

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ChEBI Name decarboxysuprofen
ChEBI ID CHEBI:64707
Definition A thiophene substituted at C-2 by a 4-ethylbenzoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H12OS
Net Charge 0
Average Mass 216.29900
Monoisotopic Mass 216.06089
InChI InChI=1S/C13H12OS/c1-2-10-5-7-11(8-6-10)13(14)12-4-3-9-15-12/h3-9H,2H2,1H3
InChIKey GODQIIKZEJTEPS-UHFFFAOYSA-N
SMILES CCc1ccc(cc1)C(=O)c1cccs1
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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ChEBI Ontology
Outgoing decarboxysuprofen (CHEBI:64707) has role epitope (CHEBI:53000)
decarboxysuprofen (CHEBI:64707) is a aromatic ketone (CHEBI:76224)
decarboxysuprofen (CHEBI:64707) is a thiophenes (CHEBI:26961)
IUPAC Name
(4-ethylphenyl)(2-thienyl)methanone
Synonyms Sources
2-(p-ethylbenzoyl)thiophene ChEBI
4-Ethylphenyl 2-thienyl ketone ChemIDplus
p-ethylphenyl 2-thienyl ketone ChEBI
Registry Numbers Types Sources
1638931 Reaxys Registry Number Reaxys
52779-81-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11195850 PubMed citation Europe PMC
11712905 PubMed citation Europe PMC
Last Modified
07 November 2013