EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179520 - 7-methyl-6-oxo-octanoic acid

ChEBI IDCHEBI:179520
ChEBI Name7-methyl-6-oxo-octanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESCC(C)C(=O)CCCCC(=O)O
InChIInChI=1S/C9H16O3/c1-7(2)8(10)5-3-4-6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyOCTWQXZMIOXBML-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)
7-methyl-6-oxo-octanoic acid (CHEBI:179520) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
7-methyl-6-oxooctanoic acid
Manual XrefsDatabases
LMFA01060157LIPID MAPS
4472364ChemSpider