CHEBI:88832 - Trifluoromethyl-bismethyl ketone

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ChEBI Name Trifluoromethyl-bismethyl ketone ChEBI ID CHEBI:88832 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H7F3O Net Charge 0 Average Mass 140.104 Monoisotopic Mass 140.04490 InChI InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3 InChIKey NLCCAFQWEKMQLM-UHFFFAOYSA-N SMILES CC(C)C(C(F)(F)F)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation) ChEBI Ontology Outgoing Trifluoromethyl-bismethyl ketone (CHEBI:88832) is a ketone (CHEBI:17087) Synonym Source 1,1,1-trifluoro-3-methylbutan-2-one HMDB Manual Xref Database HMDB0061928 HMDB View more database links