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CHEBI:179879 - 4-methyl-octanoic acid

ChEBI IDCHEBI:179879
ChEBI Name4-methyl-octanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCC(C)CCC(=O)O
InChIInChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyLEGGANXCVQPIAI-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-octanoic acid (CHEBI:179879) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
4-methyloctanoic acid
Manual XrefsDatabases
55926ChemSpider
HMDB0031557HMDB
LMFA01020244LIPID MAPS
Registry NumbersSources
CAS:54947-74-9ChemIDplus