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CHEBI:64706 - decarboxytiaprofenic acid

ChEBI IDCHEBI:64706
ChEBI Namedecarboxytiaprofenic acid
Stars
DefinitionA thiophene substituted at C-2 by benzoyl and at C-4 by an ethyl group.
Last Modified7 November 2013
SubmitterSteve
DownloadsMolfile
FormulaC13H12OS
Net Charge0
Average Mass216.305
Monoisotopic Mass216.06089
SMILESCCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C13H12OS/c1-2-11-8-9-12(15-11)13(14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyKRUFIFKRFHMKHL-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.
Application:
photosensitizing agent  A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
ChEBI Ontology
Outgoing Relation(s)
decarboxytiaprofenic acid (CHEBI:64706) has role epitope (CHEBI:53000)
decarboxytiaprofenic acid (CHEBI:64706) has role photosensitizing agent (CHEBI:47868)
decarboxytiaprofenic acid (CHEBI:64706) is a aromatic ketone (CHEBI:76224)
decarboxytiaprofenic acid (CHEBI:64706) is a thiophenes (CHEBI:26961)
IUPAC Name 
(5-ethyl-2-thienyl)(phenyl)methanone
Synonym  Source
5-ethyl-2-benzoylthiopheneChEBI
Registry NumbersSources
Reaxys:151561Reaxys
Citations