EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177718 - Tiplasinin

ChEBI IDCHEBI:177718
ChEBI NameTiplasinin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H16F3NO4
Net Charge0
Average Mass439.389
Monoisotopic Mass439.10314
SMILESO=C(O)C(=O)c1cn(Cc2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)
InChIKeyODXQFEWQSHNQNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tiplasinin (CHEBI:177718) is a indole-3-acetic acids (CHEBI:24803)
IUPAC Name 
2-[1-benzyl-5-[4-(triluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid
Manual XrefsDatabases
4953369ChemSpider
D06160KEGG DRUG
Registry NumbersSources
CAS:393105-53-8ChemIDplus