EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184060 - Isoxazole, 3-[4-(methylsulfonyl)phenyl]-4-phenyl-5-(trifluoromethyl)-

ChEBI IDCHEBI:184060
ChEBI NameIsoxazole, 3-[4-(methylsulfonyl)phenyl]-4-phenyl-5-(trifluoromethyl)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12F3NO3S
Net Charge0
Average Mass367.348
Monoisotopic Mass367.04900
SMILESCS(=O)(=O)c1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1
InChIInChI=1S/C17H12F3NO3S/c1-25(22,23)13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)16(24-21-15)17(18,19)20/h2-10H,1H3
InChIKeyKKBWWVXRKULXHF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
Isoxazole, 3-[4-(methylsulfonyl)phenyl]-4-phenyl-5-(trifluoromethyl)- (CHEBI:184060) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
3-(4-methylsulonylphenyl)-4-phenyl-5-(triluoromethyl)-1,2-oxazole
Manual XrefsDatabases
8604448ChemSpider