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CHEBI:179955 - 4-ethyl-hexanoic acid

ChEBI IDCHEBI:179955
ChEBI Name4-ethyl-hexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCC(CC)CCC(=O)O
InChIInChI=1S/C8H16O2/c1-3-7(4-2)5-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyKJYXVWHRKCNYKU-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-ethyl-hexanoic acid (CHEBI:179955) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
4-ethylhexanoic acid
Manual XrefsDatabases
LMFA01020149LIPID MAPS
21313ChemSpider
Registry NumbersSources
CAS:6299-66-7ChemIDplus