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CHEBI:187832 - 6-bromo-heneicosa-5E,9Z-dienoic acid

ChEBI IDCHEBI:187832
ChEBI Name6-bromo-heneicosa-5E,9Z-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H37BrO2
Net Charge0
Average Mass401.429
Monoisotopic Mass400.19769
SMILESCCCCCCCCCCC/C=C\CC/C(Br)=C\CCCC(=O)O
InChIInChI=1S/C21H37BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)18-15-16-19-21(23)24/h12-13,18H,2-11,14-17,19H2,1H3,(H,23,24)/b13-12-,20-18+
InChIKeyCHDNELKYCOHVFT-QXZHCCGNSA-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-heneicosa-5E,9Z-dienoic acid (CHEBI:187832) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5E,9Z)-6-bromohenicosa-5,9-dienoic acid
Manual XrefsDatabases
10475393ChemSpider
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