EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31994 - Phenyliodoundecynoate

ChEBI IDCHEBI:31994
ChEBI NamePhenyliodoundecynoate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC17H21IO2
Net Charge0
Average Mass384.257
Monoisotopic Mass384.05863
SMILESO=C(CCCCCCCCC#CI)Oc1ccccc1
InChIInChI=1S/C17H21IO2/c18-15-11-6-4-2-1-3-5-10-14-17(19)20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10,14H2
InChIKeyYXYXRFVXKCHITA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Phenyliodoundecynoate (CHEBI:31994) is a benzoate ester (CHEBI:36054)
Phenyliodoundecynoate (CHEBI:31994) is a phenols (CHEBI:33853)
Synonyms  Source
PhenyliodoundecynoateKEGG COMPOUND
11-Iodoundecynoic acid phenylesterKEGG COMPOUND
Manual XrefsDatabases
D01595KEGG DRUG
Registry NumbersSources
CAS:2020-25-9KEGG COMPOUND