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CHEBI:165369 - 6-Methyl caprylic acid

ChEBI IDCHEBI:165369
ChEBI Name6-Methyl caprylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCC(C)CCCCC(=O)O
InChIInChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyGPOPHQSTNHUENT-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)
6-Methyl caprylic acid (CHEBI:165369) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
6-methyloctanoic acid
Manual XrefsDatabases
10015ChemSpider
LMFA01020002LIPID MAPS
Registry NumbersSources
CAS:504-99-4ChemIDplus