EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180331 - 4-heptanoyl butyric acid

Default Structure
ChEBI IDCHEBI:180331
ChEBI Name4-heptanoyl butyric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O3
Net Charge0
Average Mass200.278
Monoisotopic Mass200.14124
SMILESCCCCCCC(=O)CCCC(=O)O
InChIInChI=1S/C11H20O3/c1-2-3-4-5-7-10(12)8-6-9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKeyLXPXOCHGDNNXCA-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)
4-heptanoyl butyric acid (CHEBI:180331) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-oxoundecanoic acid
Manual XrefsDatabases
3856161ChemSpider
LMFA01060036LIPID MAPS