CHEBI:179955 - 4-ethyl-hexanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-ethyl-hexanoic acid
ChEBI ID CHEBI:179955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H16O2
Net Charge 0
Average Mass 144.214
Monoisotopic Mass 144.11503
InChI InChI=1S/C8H16O2/c1-3-7(4-2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey KJYXVWHRKCNYKU-UHFFFAOYSA-N
SMILES OC(=O)CCC(CC)CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-ethyl-hexanoic acid (CHEBI:179955) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
4-ethylhexanoic acid
Manual Xrefs Databases
21313 ChemSpider
LMFA01020149 LIPID MAPS
View more database links
Registry Number Type Source
6299-66-7 CAS Registry Number ChemIDplus