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CHEBI:187487 - 6-bromo-docosa-5E,9Z-dienoic acid

ChEBI IDCHEBI:187487
ChEBI Name6-bromo-docosa-5E,9Z-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H39BrO2
Net Charge0
Average Mass415.456
Monoisotopic Mass414.21334
SMILESCCCCCCCCCCCC/C=C\CC/C(Br)=C\CCCC(=O)O
InChIInChI=1S/C22H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21(23)19-16-17-20-22(24)25/h13-14,19H,2-12,15-18,20H2,1H3,(H,24,25)/b14-13-,21-19+
InChIKeyOFKABAMHUKOKMV-LFJSLNKLSA-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)
6-bromo-docosa-5E,9Z-dienoic acid (CHEBI:187487) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(5E,9Z)-6-bromodocosa-5,9-dienoic acid
Manual XrefsDatabases
10475394ChemSpider
LMFA01090100LIPID MAPS