EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:80588 - 7-oxoheptanoic acid

ChEBI IDCHEBI:80588
ChEBI Name7-oxoheptanoic acid
Stars
Last Modified13 July 2017
DownloadsMolfile
FormulaC7H12O3
Net Charge0
Average Mass144.170
Monoisotopic Mass144.07864
SMILESO=CCCCCCC(=O)O
InChIInChI=1S/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)
InChIKeyOOFMTFUTWFAVGC-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-oxoheptanoic acid (CHEBI:80588) is a medium-chain fatty acid (CHEBI:59554)
Incoming Relation(s)
1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine (CHEBI:134601) has functional parent 7-oxoheptanoic acid (CHEBI:80588)
Synonym  Source
7-Ketoheptanoic acidKEGG COMPOUND
Manual XrefsDatabases
C16590KEGG COMPOUND