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CHEBI:179890 - 3,5,5-trimethyl-hexanoic acid

ChEBI IDCHEBI:179890
ChEBI Name3,5,5-trimethyl-hexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
InChIKeyOILUAKBAMVLXGF-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)
3,5,5-trimethyl-hexanoic acid (CHEBI:179890) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
3,5,5-trimethylhexanoic acid
Manual XrefsDatabases
82141ChemSpider
LMFA01020153LIPID MAPS
Registry NumbersSources
CAS:3302-10-1ChemIDplus