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CHEBI:165362 - 3-Methyl-hexanoic acid

ChEBI IDCHEBI:165362
ChEBI Name3-Methyl-hexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCCC(C)CC(=O)O
InChIInChI=1S/C7H14O2/c1-3-4-6(2)5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyNZQMQVJXSRMTCJ-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)
3-Methyl-hexanoic acid (CHEBI:165362) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
3-methylhexanoic acid
Manual XrefsDatabases
LMFA01020081LIPID MAPS
86012ChemSpider
Registry NumbersSources
CAS:3780-58-3ChemIDplus