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CHEBI:179997 - 5-methyl-hexanoic acid

ChEBI IDCHEBI:179997
ChEBI Name5-methyl-hexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14O2
Net Charge0
Average Mass130.187
Monoisotopic Mass130.09938
SMILESCC(C)CCCC(=O)O
InChIInChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyMHPUGCYGQWGLJL-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)
5-methyl-hexanoic acid (CHEBI:179997) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-methylhexanoic acid
Manual XrefsDatabases
HMDB0031595HMDB
11839ChemSpider
LMFA01020083LIPID MAPS
Registry NumbersSources
CAS:628-46-6ChemIDplus