EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:179473 - 5-methyl-5-hexenoic acid

ChEBI IDCHEBI:179473
ChEBI Name5-methyl-5-hexenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O2
Net Charge0
Average Mass128.171
Monoisotopic Mass128.08373
SMILESC=C(C)CCCC(=O)O
InChIInChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9)
InChIKeyHCLVGAZUVMWYLF-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)
5-methyl-5-hexenoic acid (CHEBI:179473) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-methylhex-5-enoic acid
Manual XrefsDatabases
LMFA01020117LIPID MAPS
478185ChemSpider