EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:234560 - thenoyltrifluoroacetone

ChEBI IDCHEBI:234560
ChEBI Namethenoyltrifluoroacetone
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC25H33N3O3S2
Net Charge0
Average Mass487.691
Monoisotopic Mass487.19633
SMILES[H]/C(C(=N)O)=C(\OC)[C@]([H])(C)[C@@]([H])(OC)/C([H])=C(\[H])c1csc(-c2csc([C@@]([H])(C)/C([H])=C([H])/C([H])=C(\[H])C(C)C)n2)n1
InChIInChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
InChIKeyXKTFQMCPGMTBMD-FYHMSGCOSA-N
Wikipedia
Roles Classification
Chemical Role:
chelator  A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
Biological Role:
EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor  An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of succinate dehydrogenase (quinone), EC 1.3.5.1.
ChEBI Ontology
Outgoing Relation(s)
thenoyltrifluoroacetone (CHEBI:234560) has role chelator (CHEBI:38161)
thenoyltrifluoroacetone (CHEBI:234560) has role EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor (CHEBI:83072)
thenoyltrifluoroacetone (CHEBI:234560) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
Manual XrefsDatabases
DB04795DrugBank
HMDB0245319HMDB
https://en.wikipedia.org/wiki/ThenoyltrifluoroacetoneWikipedia
Registry NumbersSources
CAS:326-91-0SUBMITTER
Citations