EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179992 - formyl hexanoate

Default Structure
ChEBI IDCHEBI:179992
ChEBI Nameformyl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESCCCCCC(=O)OC=O
InChIInChI=1S/C7H12O3/c1-2-3-4-5-7(9)10-6-8/h6H,2-5H2,1H3
InChIKeyCETZCXJWGWICSY-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)
formyl hexanoate (CHEBI:179992) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
ormyl hexanoate
Manual XrefsDatabases
15676397ChemSpider