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CHEBI:179891 - 3-methyl-octanoic acid

ChEBI IDCHEBI:179891
ChEBI Name3-methyl-octanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCCC(C)CC(=O)O
InChIInChI=1S/C9H18O2/c1-3-4-5-6-8(2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyYKSWLQPMYFCNBG-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-octanoic acid (CHEBI:179891) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
3-methyloctanoic acid
Manual XrefsDatabases
4471752ChemSpider
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