EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228638 - 1-phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one

Default Structure
ChEBI IDCHEBI:228638
ChEBI Name1-phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H10F3NOS
Net Charge0
Average Mass309.312
Monoisotopic Mass309.04352
SMILESO=C(/C=C/Sc1ccc(C(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)12-6-7-14(19-10-12)21-9-8-13(20)11-4-2-1-3-5-11/h1-10H/b9-8+
InChIKeyVQADHTMMDKNDPC-CMDGGOBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
1-phenyl-3-{[5-(trifluoromethyl)-2-pyridyl]thio}prop-2-en-1-one (CHEBI:228638) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(E)-1-phenyl-3-[5-(triluoromethyl)pyridin-2-yl]sulanylprop-2-en-1-one
Manual XrefsDatabases
4525148ChemSpider