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CHEBI:186479 - 6-Bromo-5E,9Z,13Z-docosatrienoic acid

ChEBI IDCHEBI:186479
ChEBI Name6-Bromo-5E,9Z,13Z-docosatrienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H37BrO2
Net Charge0
Average Mass413.440
Monoisotopic Mass412.19769
SMILESCCCCCCCC/C=C\CC/C=C\CC/C(Br)=C\CCCC(=O)O
InChIInChI=1S/C22H37BrO2/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/h9-10,13-14,19H,2-8,11-12,15-18,20H2,1H3,(H,24,25)/b10-9-,14-13-,21-19+
InChIKeyNAMWJEXZJJYVSY-DONPXYLZSA-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-5E,9Z,13Z-docosatrienoic acid (CHEBI:186479) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(5E,9Z,13Z)-6-bromodocosa-5,9,13-trienoic acid
Manual XrefsDatabases
113368345ChemSpider
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