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CHEBI:177109 - 6-bromo-pentacosa-5E,9Z-dienoic acid

ChEBI IDCHEBI:177109
ChEBI Name6-bromo-pentacosa-5E,9Z-dienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45BrO2
Net Charge0
Average Mass457.537
Monoisotopic Mass456.26029
SMILESCCCCCCCCCCCCCCC/C=C\CC/C(Br)=C\CCCC(=O)O
InChIInChI=1S/C25H45BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)22-19-20-23-25(27)28/h16-17,22H,2-15,18-21,23H2,1H3,(H,27,28)/b17-16-,24-22+
InChIKeyVRACWEMNOVUYQJ-YIRKJRPPSA-N
Species of MetaboliteComponentSourceComments
Bos grunniens (ncbitaxon:30521) subcutaneous adipose tissue (BTO:0004042) Article
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-pentacosa-5E,9Z-dienoic acid (CHEBI:177109) is a very long-chain fatty acid (CHEBI:27283)
IUPAC Name 
(5E,9Z)-6-bromopentacosa-5,9-dienoic acid
Manual XrefsDatabases
LMFA01090103LIPID MAPS
10473984ChemSpider
Registry NumbersSources
CAS:150994-71-1ChemIDplus