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CHEBI:186480 - 28:2(5Z,9Z)(6Br)

ChEBI IDCHEBI:186480
ChEBI Name28:2(5Z,9Z)(6Br)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H51BrO2
Net Charge0
Average Mass499.618
Monoisotopic Mass498.30724
SMILESCCCCCCCCCCCCCCCCCC/C=C\CC/C(Br)=C\CCCC(=O)O
InChIInChI=1S/C28H51BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27(29)25-22-23-26-28(30)31/h19-20,25H,2-18,21-24,26H2,1H3,(H,30,31)/b20-19-,27-25+
InChIKeyBLOVQWMQQANCQG-PLHFINIGSA-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)
28:2(5Z,9Z)(6Br) (CHEBI:186480) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(5E,9Z)-6-bromooctacosa-5,9-dienoic acid
Manual XrefsDatabases
LMFA01030890LIPID MAPS
10473861ChemSpider