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ChEBI
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CHEBI:88832 - Trifluoromethyl-bismethyl ketone
Main
ChEBI Ontology
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ChEBI Name
Trifluoromethyl-bismethyl ketone
ChEBI ID
CHEBI:88832
Stars
This entity has been manually annotated by a third party.
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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
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