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CHEBI:179551 - 4-Ethyloctanoic acid

ChEBI IDCHEBI:179551
ChEBI Name4-Ethyloctanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H20O2
Net Charge0
Average Mass172.268
Monoisotopic Mass172.14633
SMILESCCCCC(CC)CCC(=O)O
InChIInChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyPWKJMPFEQOHBAC-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-Ethyloctanoic acid (CHEBI:179551) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
4-ethyloctanoic acid
Manual XrefsDatabases
LMFA01030983LIPID MAPS
HMDB0036136HMDB
55713ChemSpider
Registry NumbersSources
CAS:16493-80-4ChemIDplus