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CHEBI:187419 - 3-oxo-heneicosanoic acid

ChEBI IDCHEBI:187419
ChEBI Name3-oxo-heneicosanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O3
Net Charge0
Average Mass340.548
Monoisotopic Mass340.29775
SMILESCCCCCCCCCCCCCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24/h2-19H2,1H3,(H,23,24)
InChIKeyHIOTZLCGSPKFPF-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)
3-oxo-heneicosanoic acid (CHEBI:187419) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
3-oxohenicosanoic acid
Manual XrefsDatabases
4472350ChemSpider
LMFA01060137LIPID MAPS