EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:37107 - 7-methyl-3-oxooctanoic acid

ChEBI IDCHEBI:37107
ChEBI Name7-methyl-3-oxooctanoic acid
Stars
Last Modified4 March 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILESCC(C)CCCC(=O)CC(=O)O
InChIInChI=1S/C9H16O3/c1-7(2)4-3-5-8(10)6-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyHMJVYQBHXHOGRX-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-3-oxooctanoic acid (CHEBI:37107) has functional parent 7-methyloctanoic acid (CHEBI:37108)
7-methyl-3-oxooctanoic acid (CHEBI:37107) is a 3-oxo monocarboxylic acid (CHEBI:47881)
Incoming Relation(s)
7-methyl-3-oxooct-6-enoyl-CoA (CHEBI:52043) has functional parent 7-methyl-3-oxooctanoic acid (CHEBI:37107)
7-methyl-3-oxooctanoyl-CoA (CHEBI:15506) has functional parent 7-methyl-3-oxooctanoic acid (CHEBI:37107)
IUPAC Name 
7-methyl-3-oxooctanoic acid
Registry NumbersSources
Beilstein:4858725Beilstein