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CHEBI:169176 - 4-oxo-docosanoic acid

ChEBI IDCHEBI:169176
ChEBI Name4-oxo-docosanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42O3
Net Charge0
Average Mass354.575
Monoisotopic Mass354.31340
SMILESCCCCCCCCCCCCCCCCCCC(=O)CCC(=O)O
InChIInChI=1S/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h2-20H2,1H3,(H,24,25)
InChIKeyHZKNWRQSWZMFSK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-oxo-docosanoic acid (CHEBI:169176) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
4-oxodocosanoic acid
Manual XrefsDatabases
LMFA01060143LIPID MAPS
4472356ChemSpider