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CHEBI:185248 - 12-keto tridecanoic acid

ChEBI IDCHEBI:185248
ChEBI Name12-keto tridecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O3
Net Charge0
Average Mass228.332
Monoisotopic Mass228.17254
SMILESCC(=O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)
InChIKeyNRVDTUOVKXZNCW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-keto tridecanoic acid (CHEBI:185248) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
12-oxotridecanoic acid
Manual XrefsDatabases
67899ChemSpider
LMFA01060043LIPID MAPS
Registry NumbersSources
CAS:2345-12-2ChemIDplus