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CHEBI:179889 - 2-isopropyl-hexanoic acid

ChEBI IDCHEBI:179889
ChEBI Name2-isopropyl-hexanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCC(C(=O)O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-8(7(2)3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyGNAKABFIXDKLCV-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)
2-isopropyl-hexanoic acid (CHEBI:179889) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
2-propan-2-ylhexanoic acid
Manual XrefsDatabases
LMFA01020152LIPID MAPS
4445811ChemSpider