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CHEBI:229991 - Octyl .alpha.-ketoglutarate

ChEBI IDCHEBI:229991
ChEBI NameOctyl .alpha.-ketoglutarate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21O5
Net Charge-1
Average Mass257.306
Monoisotopic Mass257.13945
SMILESCCCCCCCCOC(=O)C(=O)CCC(=O)[O-]
InChIInChI=1S/C13H22O5/c1-2-3-4-5-6-7-10-18-13(17)11(14)8-9-12(15)16/h2-10H2,1H3,(H,15,16)/p-1
InChIKeyQNFIHKFBQFJVKV-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Octyl .alpha.-ketoglutarate (CHEBI:229991) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
5-octoxy-4,5-dioxopentanoate