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CHEBI:64707 - decarboxysuprofen

ChEBI IDCHEBI:64707
ChEBI Namedecarboxysuprofen
Stars
DefinitionA thiophene substituted at C-2 by a 4-ethylbenzoyl group.
Last Modified7 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC13H12OS
Net Charge0
Average Mass216.305
Monoisotopic Mass216.06089
SMILESCCc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C13H12OS/c1-2-10-5-7-11(8-6-10)13(14)12-4-3-9-15-12/h3-9H,2H2,1H3
InChIKeyGODQIIKZEJTEPS-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
4-Ethylphenyl 2-thienyl ketoneChemIDplus
p-ethylphenyl 2-thienyl ketoneChEBI
2-(p-ethylbenzoyl)thiopheneChEBI
Registry NumbersSources
Reaxys:1638931Reaxys
CAS:52779-81-4ChemIDplus
Citations