EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134869 - thurfyl nicotinate

Default Structure
ChEBI IDCHEBI:134869
ChEBI Namethurfyl nicotinate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC11H13NO3
Net Charge0
Average Mass207.229
Monoisotopic Mass207.08954
SMILESO=C(OCC1CCCO1)c1cccnc1
InChIInChI=1S/C11H13NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1,3,5,7,10H,2,4,6,8H2
InChIKeyRQAITHJHUFFEIV-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)
thurfyl nicotinate (CHEBI:134869) is a aromatic carboxylic acid (CHEBI:33859)
thurfyl nicotinate (CHEBI:134869) is a pyridines (CHEBI:26421)
Synonyms  Source
nicotafurylDrugCentral
nicotinic acid tetrahydrofurfuryl esterDrugCentral
tetrahydrofurfuryl nicotinateDrugCentral
thurfyl nicotinatDrugCentral
trafurilDrugCentral
Manual XrefsDatabases
3602DrugCentral
Registry NumbersSources
CAS:70-19-9DrugCentral