EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:32322 - beta-Butoxyethyl nicotinate

Default Structure
ChEBI IDCHEBI:32322
ChEBI Namebeta-Butoxyethyl nicotinate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H17NO3
Net Charge0
Average Mass223.272
Monoisotopic Mass223.12084
SMILESCCCCOCCOC(=O)c1cccnc1
InChIInChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3
InChIKeyIZJRISIINLJVBU-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)
beta-Butoxyethyl nicotinate (CHEBI:32322) is a aromatic carboxylic acid (CHEBI:33859)
beta-Butoxyethyl nicotinate (CHEBI:32322) is a pyridines (CHEBI:26421)
Synonyms  Source
beta-Butoxyethyl nicotinateKEGG COMPOUND
NicoboxilKEGG COMPOUND
Manual XrefsDatabases
C13138KEGG COMPOUND
D01677KEGG DRUG
Registry NumbersSources
CAS:13912-80-6KEGG COMPOUND