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CHEBI:180001 - 4-methyl-hexanoic acid

ChEBI IDCHEBI:180001
ChEBI Name4-methyl-hexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCCC(C)CCC(=O)O
InChIInChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyDIVCBWJKVSFZKJ-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-methyl-hexanoic acid (CHEBI:180001) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
4-methylhexanoic acid
Manual XrefsDatabases
14536ChemSpider
LMFA01020082LIPID MAPS
Registry NumbersSources
CAS:1561-11-1ChemIDplus