EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135862 - tyropanoate

ChEBI IDCHEBI:135862
ChEBI Nametyropanoate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC15H18I3NO3
Net Charge0
Average Mass641.025
Monoisotopic Mass640.84209
SMILESCCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I
InChIInChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyYMOXVLQZFAUUKI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
tyropanoate (CHEBI:135862) is a benzenes (CHEBI:22712)
tyropanoate (CHEBI:135862) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
tyropanoic acidDrugCentral
tyropanoate sodiumDrugCentral
Manual XrefsDatabases
2785DrugCentral
Registry NumbersSources
CAS:27293-82-9DrugCentral